MyArxiv
Computation and Language 74
☆ HalluSegBench: Counterfactual Visual Reasoning for Segmentation Hallucination Evaluation
Recent progress in vision-language segmentation has significantly advanced grounded visual understanding. However, these models often exhibit hallucinations by producing segmentation masks for objects not grounded in the image content or by incorrectly labeling irrelevant regions. Existing evaluation protocols for segmentation hallucination primarily focus on label or textual hallucinations without manipulating the visual context, limiting their capacity to diagnose critical failures. In response, we introduce HalluSegBench, the first benchmark specifically designed to evaluate hallucinations in visual grounding through the lens of counterfactual visual reasoning. Our benchmark consists of a novel dataset of 1340 counterfactual instance pairs spanning 281 unique object classes, and a set of newly introduced metrics that quantify hallucination sensitivity under visually coherent scene edits. Experiments on HalluSegBench with state-of-the-art vision-language segmentation models reveal that vision-driven hallucinations are significantly more prevalent than label-driven ones, with models often persisting in false segmentation, highlighting the need for counterfactual reasoning to diagnose grounding fidelity.
comment: Project webpage: https://plan-lab.github.io/hallusegbench/
☆ Data Efficacy for Language Model Training
Data is fundamental to the training of language models (LM). Recent research has been dedicated to data efficiency, which aims to maximize performance by selecting a minimal or optimal subset of training data. Techniques such as data filtering, sampling, and selection play a crucial role in this area. To complement it, we define Data Efficacy, which focuses on maximizing performance by optimizing the organization of training data and remains relatively underexplored. This work introduces a general paradigm, DELT, for considering data efficacy in LM training, which highlights the significance of training data organization. DELT comprises three components: Data Scoring, Data Selection, and Data Ordering. Among these components, we design Learnability-Quality Scoring (LQS), as a new instance of Data Scoring, which considers both the learnability and quality of each data sample from the gradient consistency perspective. We also devise Folding Ordering (FO), as a novel instance of Data Ordering, which addresses issues such as model forgetting and data distribution bias. Comprehensive experiments validate the data efficacy in LM training, which demonstrates the following: Firstly, various instances of the proposed DELT enhance LM performance to varying degrees without increasing the data scale and model size. Secondly, among these instances, the combination of our proposed LQS for data scoring and Folding for data ordering achieves the most significant improvement. Lastly, data efficacy can be achieved together with data efficiency by applying data selection. Therefore, we believe that data efficacy is a promising foundational area in LM training.
☆ "What's Up, Doc?": Analyzing How Users Seek Health Information in Large-Scale Conversational AI Datasets
People are increasingly seeking healthcare information from large language models (LLMs) via interactive chatbots, yet the nature and inherent risks of these conversations remain largely unexplored. In this paper, we filter large-scale conversational AI datasets to achieve HealthChat-11K, a curated dataset of 11K real-world conversations composed of 25K user messages. We use HealthChat-11K and a clinician-driven taxonomy for how users interact with LLMs when seeking healthcare information in order to systematically study user interactions across 21 distinct health specialties. Our analysis reveals insights into the nature of how and why users seek health information, such as common interactions, instances of incomplete context, affective behaviors, and interactions (e.g., leading questions) that can induce sycophancy, underscoring the need for improvements in the healthcare support capabilities of LLMs deployed as conversational AI. Code and artifacts to retrieve our analyses and combine them into a curated dataset can be found here: https://github.com/yahskapar/HealthChat
comment: 25 pages, 6 figures, 4 tables, corresponds to initial HealthChat-11K dataset release
☆ Potemkin Understanding in Large Language Models
Large language models (LLMs) are regularly evaluated using benchmark datasets. But what justifies making inferences about an LLM's capabilities based on its answers to a curated set of questions? This paper first introduces a formal framework to address this question. The key is to note that the benchmarks used to test LLMs -- such as AP exams -- are also those used to test people. However, this raises an implication: these benchmarks are only valid tests if LLMs misunderstand concepts in ways that mirror human misunderstandings. Otherwise, success on benchmarks only demonstrates potemkin understanding: the illusion of understanding driven by answers irreconcilable with how any human would interpret a concept. We present two procedures for quantifying the existence of potemkins: one using a specially designed benchmark in three domains, the other using a general procedure that provides a lower-bound on their prevalence. We find that potemkins are ubiquitous across models, tasks, and domains. We also find that these failures reflect not just incorrect understanding, but deeper internal incoherence in concept representations.
☆ skLEP: A Slovak General Language Understanding Benchmark ACL 2025
In this work, we introduce skLEP, the first comprehensive benchmark specifically designed for evaluating Slovak natural language understanding (NLU) models. We have compiled skLEP to encompass nine diverse tasks that span token-level, sentence-pair, and document-level challenges, thereby offering a thorough assessment of model capabilities. To create this benchmark, we curated new, original datasets tailored for Slovak and meticulously translated established English NLU resources. Within this paper, we also present the first systematic and extensive evaluation of a wide array of Slovak-specific, multilingual, and English pre-trained language models using the skLEP tasks. Finally, we also release the complete benchmark data, an open-source toolkit facilitating both fine-tuning and evaluation of models, and a public leaderboard at https://github.com/slovak-nlp/sklep in the hopes of fostering reproducibility and drive future research in Slovak NLU.
comment: ACL 2025 Findings
☆ Mind2Web 2: Evaluating Agentic Search with Agent-as-a-Judge
Agentic search such as Deep Research systems, where large language models autonomously browse the web, synthesize information, and return comprehensive citation-backed answers, represents a major shift in how users interact with web-scale information. While promising greater efficiency and cognitive offloading, the growing complexity and open-endedness of agentic search have outpaced existing evaluation benchmarks and methodologies, which largely assume short search horizons and static answers. In this paper, we introduce Mind2Web 2, a benchmark of 130 realistic, high-quality, and long-horizon tasks that require real-time web browsing and extensive information synthesis, constructed with over 1,000 hours of human labor. To address the challenge of evaluating time-varying and complex answers, we propose a novel Agent-as-a-Judge framework. Our method constructs task-specific judge agents based on a tree-structured rubric design to automatically assess both answer correctness and source attribution. We conduct a comprehensive evaluation of nine frontier agentic search systems and human performance, along with a detailed error analysis to draw insights for future development. The best-performing system, OpenAI Deep Research, can already achieve 50-70% of human performance while spending half the time, showing a great potential. Altogether, Mind2Web 2 provides a rigorous foundation for developing and benchmarking the next generation of agentic search systems.
comment: Project Homepage: https://osu-nlp-group.github.io/Mind2Web2/
☆ Enhancing User Engagement in Socially-Driven Dialogue through Interactive LLM Alignments
Enhancing user engagement through interactions plays an essential role in socially-driven dialogues. While prior works have optimized models to reason over relevant knowledge or plan a dialogue act flow, the relationship between user engagement and knowledge or dialogue acts is subtle and does not guarantee user engagement in socially-driven dialogues. To this end, we enable interactive LLMs to learn user engagement by leveraging signals from the future development of conversations. Specifically, we adopt a more direct and relevant indicator of user engagement, i.e., the user's reaction related to dialogue intention after the interaction, as a reward to align interactive LLMs. To achieve this, we develop a user simulator to interact with target interactive LLMs and explore interactions between the user and the interactive LLM system via \textit{i$\times$MCTS} (\textit{M}onte \textit{C}arlo \textit{T}ree \textit{S}earch for \textit{i}nteraction). In this way, we collect a dataset containing pairs of higher and lower-quality experiences using \textit{i$\times$MCTS}, and align interactive LLMs for high-level user engagement by direct preference optimization (DPO) accordingly. Experiments conducted on two socially-driven dialogue scenarios (emotional support conversations and persuasion for good) demonstrate that our method effectively enhances user engagement in interactive LLMs.
☆ Bridging Offline and Online Reinforcement Learning for LLMs
We investigate the effectiveness of reinforcement learning methods for finetuning large language models when transitioning from offline to semi-online to fully online regimes for both verifiable and non-verifiable tasks. Our experiments cover training on verifiable math as well as non-verifiable instruction following with a set of benchmark evaluations for both. Across these settings, we extensively compare online and semi-online Direct Preference Optimization and Group Reward Policy Optimization objectives, and surprisingly find similar performance and convergence between these variants, which all strongly outperform offline methods. We provide a detailed analysis of the training dynamics and hyperparameter selection strategies to achieve optimal results. Finally, we show that multi-tasking with verifiable and non-verifiable rewards jointly yields improved performance across both task types.
☆ Logios : An open source Greek Polytonic Optical Character Recognition system
In this paper, we present an Optical Character Recognition (OCR) system specifically designed for the accurate recognition and digitization of Greek polytonic texts. By leveraging the combined strengths of convolutional layers for feature extraction and recurrent layers for sequence learning, our system addresses the unique challenges posed by Greek polytonic scripts. This approach aims to overcome the limitations of traditional OCR methods, offering significant improvements in accuracy and efficiency. We release the underlying model as an open-source library and make our OCR platform available for academic use.
☆ TopK Language Models
Sparse autoencoders (SAEs) have become an important tool for analyzing and interpreting the activation space of transformer-based language models (LMs). However, SAEs suffer several shortcomings that diminish their utility and internal validity. Since SAEs are trained post-hoc, it is unclear if the failure to discover a particular concept is a failure on the SAE's side or due to the underlying LM not representing this concept. This problem is exacerbated by training conditions and architecture choices affecting which features an SAE learns. When tracing how LMs learn concepts during training, the lack of feature stability also makes it difficult to compare SAEs features across different checkpoints. To address these limitations, we introduce a modification to the transformer architecture that incorporates a TopK activation function at chosen layers, making the model's hidden states equivalent to the latent features of a TopK SAE. This approach eliminates the need for post-hoc training while providing interpretability comparable to SAEs. The resulting TopK LMs offer a favorable trade-off between model size, computational efficiency, and interpretability. Despite this simple architectural change, TopK LMs maintain their original capabilities while providing robust interpretability benefits. Our experiments demonstrate that the sparse representations learned by TopK LMs enable successful steering through targeted neuron interventions and facilitate detailed analysis of neuron formation processes across checkpoints and layers. These features make TopK LMs stable and reliable tools for understanding how language models learn and represent concepts, which we believe will significantly advance future research on model interpretability and controllability.
☆ Aligning Spoken Dialogue Models from User Interactions ICML 2025
We propose a novel preference alignment framework for improving spoken dialogue models on real-time conversations from user interactions. Current preference learning methods primarily focus on text-based language models, and are not directly suited to the complexities of real-time speech interactions, with richer dynamics (e.g. interruption, interjection) and no explicit segmentation between speaker turns.We create a large-scale dataset of more than 150,000 preference pairs from raw multi-turn speech conversations, annotated with AI feedback, to cover preferences over both linguistic content and temporal context variations. We leverage offline alignment methods to finetune a full-duplex autoregressive speech-to-speech model. Extensive experiments demonstrate that feedback on generic conversations can be consistently effective in improving spoken dialogue models to produce more factual, safer and more contextually aligned interactions. We deploy the finetuned model and conduct holistic human evaluations to assess the impact beyond single-turn conversations. Our findings shed light on the importance of a well-calibrated balance among various dynamics, crucial for natural real-time speech dialogue systems.
comment: Accepted at ICML 2025
☆ Spatial Mental Modeling from Limited Views
Can Vision Language Models (VLMs) imagine the full scene from just a few views, like humans do? Humans form spatial mental models, internal representations of unseen space, to reason about layout, perspective, and motion. Our new MindCube benchmark with 21,154 questions across 3,268 images exposes this critical gap, where existing VLMs exhibit near-random performance. Using MindCube, we systematically evaluate how well VLMs build robust spatial mental models through representing positions (cognitive mapping), orientations (perspective-taking), and dynamics (mental simulation for "what-if" movements). We then explore three approaches to help VLMs approximate spatial mental models, including unseen intermediate views, natural language reasoning chains, and cognitive maps. The significant improvement comes from a synergistic approach, "map-then-reason", that jointly trains the model to first generate a cognitive map and then reason upon it. By training models to reason over these internal maps, we boosted accuracy from 37.8% to 60.8% (+23.0%). Adding reinforcement learning pushed performance even further to 70.7% (+32.9%). Our key insight is that such scaffolding of spatial mental models, actively constructing and utilizing internal structured spatial representations with flexible reasoning processes, significantly improves understanding of unobservable space.
comment: Preprint version
☆ Text2Cypher Across Languages: Evaluating Foundational Models Beyond English
Recent advances in large language models have enabled natural language interfaces that translate user questions into database queries, such as Text2SQL, Text2SPARQL, and Text2Cypher. While these interfaces enhance database accessibility, most research today focuses solely on English, with limited evaluation in other languages. This paper investigates the performance of foundational LLMs on the Text2Cypher task across multiple languages. We create and release a multilingual test set by translating English questions into Spanish and Turkish while preserving the original Cypher queries, enabling fair cross-lingual comparison. We evaluate multiple foundational models using standardized prompts and metrics. Our results show a consistent performance pattern: highest on English, then Spanish, and lowest on Turkish. We attribute this to differences in training data availability and linguistic characteristics. Additionally, we explore the impact of translating task prompts into Spanish and Turkish. Results show little to no change in evaluation metrics, suggesting prompt translation has minor impact. Our findings highlight the need for more inclusive evaluation and development in multilingual query generation. Future work includes schema localization and fine-tuning across diverse languages.
☆ Domain Knowledge-Enhanced LLMs for Fraud and Concept Drift Detection
Detecting deceptive conversations on dynamic platforms is increasingly difficult due to evolving language patterns and Concept Drift (CD)\-i.e., semantic or topical shifts that alter the context or intent of interactions over time. These shifts can obscure malicious intent or mimic normal dialogue, making accurate classification challenging. While Large Language Models (LLMs) show strong performance in natural language tasks, they often struggle with contextual ambiguity and hallucinations in risk\-sensitive scenarios. To address these challenges, we present a Domain Knowledge (DK)\-Enhanced LLM framework that integrates pretrained LLMs with structured, task\-specific insights to perform fraud and concept drift detection. The proposed architecture consists of three main components: (1) a DK\-LLM module to detect fake or deceptive conversations; (2) a drift detection unit (OCDD) to determine whether a semantic shift has occurred; and (3) a second DK\-LLM module to classify the drift as either benign or fraudulent. We first validate the value of domain knowledge using a fake review dataset and then apply our full framework to SEConvo, a multiturn dialogue dataset that includes various types of fraud and spam attacks. Results show that our system detects fake conversations with high accuracy and effectively classifies the nature of drift. Guided by structured prompts, the LLaMA\-based implementation achieves 98\% classification accuracy. Comparative studies against zero\-shot baselines demonstrate that incorporating domain knowledge and drift awareness significantly improves performance, interpretability, and robustness in high\-stakes NLP applications.
☆ Scalable Bayesian Low-Rank Adaptation of Large Language Models via Stochastic Variational Subspace Inference
Despite their widespread use, large language models (LLMs) are known to hallucinate incorrect information and be poorly calibrated. This makes the uncertainty quantification of these models of critical importance, especially in high-stakes domains, such as autonomy and healthcare. Prior work has made Bayesian deep learning-based approaches to this problem more tractable by performing inference over the low-rank adaptation (LoRA) parameters of a fine-tuned model. While effective, these approaches struggle to scale to larger LLMs due to requiring further additional parameters compared to LoRA. In this work we present $\textbf{Scala}$ble $\textbf{B}$ayesian $\textbf{L}$ow-Rank Adaptation via Stochastic Variational Subspace Inference (ScalaBL). We perform Bayesian inference in an $r$-dimensional subspace, for LoRA rank $r$. By repurposing the LoRA parameters as projection matrices, we are able to map samples from this subspace into the full weight space of the LLM. This allows us to learn all the parameters of our approach using stochastic variational inference. Despite the low dimensionality of our subspace, we are able to achieve competitive performance with state-of-the-art approaches while only requiring ${\sim}1000$ additional parameters. Furthermore, it allows us to scale up to the largest Bayesian LLM to date, with four times as a many base parameters as prior work.
comment: Accepted at UAI 2025
☆ Hybrid Deep Learning and Signal Processing for Arabic Dialect Recognition in Low-Resource Settings
Arabic dialect recognition presents a significant challenge in speech technology due to the linguistic diversity of Arabic and the scarcity of large annotated datasets, particularly for underrepresented dialects. This research investigates hybrid modeling strategies that integrate classical signal processing techniques with deep learning architectures to address this problem in low-resource scenarios. Two hybrid models were developed and evaluated: (1) Mel-Frequency Cepstral Coefficients (MFCC) combined with a Convolutional Neural Network (CNN), and (2) Discrete Wavelet Transform (DWT) features combined with a Recurrent Neural Network (RNN). The models were trained on a dialect-filtered subset of the Common Voice Arabic dataset, with dialect labels assigned based on speaker metadata. Experimental results demonstrate that the MFCC + CNN architecture achieved superior performance, with an accuracy of 91.2% and strong precision, recall, and F1-scores, significantly outperforming the Wavelet + RNN configuration, which achieved an accuracy of 66.5%. These findings highlight the effectiveness of leveraging spectral features with convolutional models for Arabic dialect recognition, especially when working with limited labeled data. The study also identifies limitations related to dataset size, potential regional overlaps in labeling, and model optimization, providing a roadmap for future research. Recommendations for further improvement include the adoption of larger annotated corpora, integration of self-supervised learning techniques, and exploration of advanced neural architectures such as Transformers. Overall, this research establishes a strong baseline for future developments in Arabic dialect recognition within resource-constrained environments.
☆ Leveraging LLM-Assisted Query Understanding for Live Retrieval-Augmented Generation
Real-world live retrieval-augmented generation (RAG) systems face significant challenges when processing user queries that are often noisy, ambiguous, and contain multiple intents. While RAG enhances large language models (LLMs) with external knowledge, current systems typically struggle with such complex inputs, as they are often trained or evaluated on cleaner data. This paper introduces Omni-RAG, a novel framework designed to improve the robustness and effectiveness of RAG systems in live, open-domain settings. Omni-RAG employs LLM-assisted query understanding to preprocess user inputs through three key modules: (1) Deep Query Understanding and Decomposition, which utilizes LLMs with tailored prompts to denoise queries (e.g., correcting spelling errors) and decompose multi-intent queries into structured sub-queries; (2) Intent-Aware Knowledge Retrieval, which performs retrieval for each sub-query from a corpus (i.e., FineWeb using OpenSearch) and aggregates the results; and (3) Reranking and Generation, where a reranker (i.e., BGE) refines document selection before a final response is generated by an LLM (i.e., Falcon-10B) using a chain-of-thought prompt. Omni-RAG aims to bridge the gap between current RAG capabilities and the demands of real-world applications, such as those highlighted by the SIGIR 2025 LiveRAG Challenge, by robustly handling complex and noisy queries.
comment: Accepted at SIGIR 2025 LiveRAG Workshop (Oral Presentation)
☆ Structuralist Approach to AI Literary Criticism: Leveraging Greimas Semiotic Square for Large Language Models
Large Language Models (LLMs) excel in understanding and generating text but struggle with providing professional literary criticism for works with profound thoughts and complex narratives. This paper proposes GLASS (Greimas Literary Analysis via Semiotic Square), a structured analytical framework based on Greimas Semiotic Square (GSS), to enhance LLMs' ability to conduct in-depth literary analysis. GLASS facilitates the rapid dissection of narrative structures and deep meanings in narrative works. We propose the first dataset for GSS-based literary criticism, featuring detailed analyses of 48 works. Then we propose quantitative metrics for GSS-based literary criticism using the LLM-as-a-judge paradigm. Our framework's results, compared with expert criticism across multiple works and LLMs, show high performance. Finally, we applied GLASS to 39 classic works, producing original and high-quality analyses that address existing research gaps. This research provides an AI-based tool for literary research and education, offering insights into the cognitive mechanisms underlying literary engagement.
comment: Accepted in CogSci 2025
☆ Latent Prototype Routing: Achieving Near-Perfect Load Balancing in Mixture-of-Experts
Mixture-of-Experts (MoE) architectures have emerged as a key strategy for scaling large language models (LLMs) efficiently. However, current MoE systems suffer from severe load imbalance, where only a small subset of experts is consistently activated during training and inference, leading to significant underutilization of model capacity and computational resources. In this work, we revisit expert routing through a clustering perspective and propose Latent Prototype Routing (LPR), a novel routing framework that generalizes existing approaches while promoting balanced expert utilization without compromising downstream performance. Extensive experiments across multiple open-source MoE models -- including DeepSeek-V3, Qwen3-MoE, and Mixtral -- demonstrate that LPR reduces the Gini coefficient of expert load from 0.70 to 0.035 on average, improves the min-max expert load ratio from 1e-6 to 0.70, achieving near-perfect load balancing.
comment: 15 pages,4 figures
☆ Exploring Adapter Design Tradeoffs for Low Resource Music Generation
Fine-tuning large-scale music generation models, such as MusicGen and Mustango, is a computationally expensive process, often requiring updates to billions of parameters and, therefore, significant hardware resources. Parameter-Efficient Fine-Tuning (PEFT) techniques, particularly adapter-based methods, have emerged as a promising alternative, enabling adaptation with minimal trainable parameters while preserving model performance. However, the design choices for adapters, including their architecture, placement, and size, are numerous, and it is unclear which of these combinations would produce optimal adapters and why, for a given case of low-resource music genre. In this paper, we attempt to answer this question by studying various adapter configurations for two AI music models, MusicGen and Mustango, on two genres: Hindustani Classical and Turkish Makam music. Our findings reveal distinct trade-offs: convolution-based adapters excel in capturing fine-grained local musical details such as ornamentations and short melodic phrases, while transformer-based adapters better preserve long-range dependencies crucial for structured improvisation. Additionally, we analyze computational resource requirements across different adapter scales, demonstrating how mid-sized adapters (40M parameters) achieve an optimal balance between expressivity and quality. Furthermore, we find that Mustango, a diffusion-based model, generates more diverse outputs with better adherence to the description in the input prompt while lacking in providing stability in notes, rhythm alignment, and aesthetics. Also, it is computationally intensive and requires significantly more time to train. In contrast, autoregressive models like MusicGen offer faster training and are more efficient, and can produce better quality output in comparison, but have slightly higher redundancy in their generations.
comment: 9 pages, 5 figures
☆ Detecting Referring Expressions in Visually Grounded Dialogue with Autoregressive Language Models ACL 2025
In this paper, we explore the use of a text-only, autoregressive language modeling approach for the extraction of referring expressions from visually grounded dialogue. More specifically, the aim is to investigate the extent to which the linguistic context alone can inform the detection of mentions that have a (visually perceivable) referent in the visual context of the conversation. To this end, we adapt a pretrained large language model (LLM) to perform a relatively course-grained annotation of mention spans in unfolding conversations by demarcating mention span boundaries in text via next-token prediction. Our findings indicate that even when using a moderately sized LLM, relatively small datasets, and parameter-efficient fine-tuning, a text-only approach can be effective, highlighting the relative importance of the linguistic context for this task. Nevertheless, we argue that the task represents an inherently multimodal problem and discuss limitations fundamental to unimodal approaches.
comment: Accepted for publication at XLLM @ ACL 2025
☆ Small Encoders Can Rival Large Decoders in Detecting Groundedness
Augmenting large language models (LLMs) with external context significantly improves their performance in natural language processing (NLP) tasks. However, LLMs struggle to answer queries reliably when the provided context lacks information, often resorting to ungrounded speculation or internal knowledge. Groundedness - generating responses strictly supported by the context - is essential for ensuring factual consistency and trustworthiness. This study focuses on detecting whether a given query is grounded in a document provided in context before the costly answer generation by LLMs. Such a detection mechanism can significantly reduce both inference time and resource consumption. We show that lightweight, task specific encoder models such as RoBERTa and NomicBERT, fine-tuned on curated datasets, can achieve accuracy comparable to state-of-the-art LLMs, such as Llama3 8B and GPT4o, in groundedness detection while reducing inference latency by orders of magnitude. The code is available at : https://github.com/chandarlab/Hallucinate-less
☆ Double-Checker: Enhancing Reasoning of Slow-Thinking LLMs via Self-Critical Fine-Tuning
While slow-thinking large language models (LLMs) exhibit reflection-like reasoning, commonly referred to as the "aha moment:, their ability to generate informative critiques and refine prior solutions remains limited. In this paper, we introduce Double-Checker, a principled framework designed to enhance the reasoning capabilities of slow-thinking LLMs by fostering explicit self-critique and iterative refinement of their previous solutions. By fine-tuning on our curated 1,730 self-critical instances, Double-Checker empowers long-CoT LLMs to iteratively critique and refine their outputs during inference until they evaluate their solutions as correct under self-generated critiques. We validate the efficacy of Double-Checker across a comprehensive suite of reasoning benchmarks, demonstrating that iterative self-critique significantly enhances the reasoning capabilities of long-CoT LLMs. Notably, our Double-Checker increases the pass@1 performance on challenging AIME benchmarks from 4.4% to 18.2% compared to the original long-CoT LLMs. These results highlight a promising direction for developing more trustworthy and effective LLMs capable of structured self-critique.
comment: 10 pages
☆ HumanOmniV2: From Understanding to Omni-Modal Reasoning with Context
With the rapid evolution of multimodal large language models, the capacity to deeply understand and interpret human intentions has emerged as a critical capability, which demands detailed and thoughtful reasoning. In recent studies, Reinforcement Learning (RL) has demonstrated potential in enhancing the reasoning capabilities of Large Language Models (LLMs). Nonetheless, the challenges associated with adapting RL to multimodal data and formats remain largely unaddressed. In this paper, we identify two issues in existing multimodal reasoning models: insufficient global context understanding and shortcut problems. Insufficient context understanding can happen when a model misinterprets multimodal context, resulting in incorrect answers. The shortcut problem occurs when the model overlooks crucial clues in multimodal inputs, directly addressing the query without considering the multimodal information. To tackle these issues, we emphasize the necessity for the model to reason with a clear understanding of the global context within multimodal inputs. This global context understanding can effectively prevent the model from overlooking key multimodal cues and ensure a thorough reasoning process. To ensure the accurate interpretation of multimodal context information, we implement a context reward judged by a large language model, alongside format and accuracy rewards. Additionally, to improve complex reasoning capability, we employ the LLM to assess the logical reward, determining whether the reasoning process successfully integrates multimodal information with logical methods. We also introduce a reasoning omni-modal benchmark, IntentBench, aimed at evaluating models in understanding complex human intentions and emotions. Our proposed method demonstrates advanced performance across multiple omni-modal benchmarks compared to other open-source omni-modal models.
☆ Cat and Mouse -- Can Fake Text Generation Outpace Detector Systems?
Large language models can produce convincing "fake text" in domains such as academic writing, product reviews, and political news. Many approaches have been investigated for the detection of artificially generated text. While this may seem to presage an endless "arms race", we note that newer LLMs use ever more parameters, training data, and energy, while relatively simple classifiers demonstrate a good level of detection accuracy with modest resources. To approach the question of whether the models' ability to beat the detectors may therefore reach a plateau, we examine the ability of statistical classifiers to identify "fake text" in the style of classical detective fiction. Over a 0.5 version increase, we found that Gemini showed an increased ability to generate deceptive text, while GPT did not. This suggests that reliable detection of fake text may remain feasible even for ever-larger models, though new model architectures may improve their deceptiveness
comment: (Submitted for publication)
☆ DiLoCoX: A Low-Communication Large-Scale Training Framework for Decentralized Cluster
The distributed training of foundation models, particularly large language models (LLMs), demands a high level of communication. Consequently, it is highly dependent on a centralized cluster with fast and reliable interconnects. Can we conduct training on slow networks and thereby unleash the power of decentralized clusters when dealing with models exceeding 100 billion parameters? In this paper, we propose DiLoCoX, a low-communication large-scale decentralized cluster training framework. It combines Pipeline Parallelism with Dual Optimizer Policy, One-Step-Delay Overlap of Communication and Local Training, and an Adaptive Gradient Compression Scheme. This combination significantly improves the scale of parameters and the speed of model pre-training. We justify the benefits of one-step-delay overlap of communication and local training, as well as the adaptive gradient compression scheme, through a theoretical analysis of convergence. Empirically, we demonstrate that DiLoCoX is capable of pre-training a 107B foundation model over a 1Gbps network. Compared to vanilla AllReduce, DiLoCoX can achieve a 357x speedup in distributed training while maintaining negligible degradation in model convergence. To the best of our knowledge, this is the first decentralized training framework successfully applied to models with over 100 billion parameters.
Agent-RewardBench: Towards a Unified Benchmark for Reward Modeling across Perception, Planning, and Safety in Real-World Multimodal Agents ACL 2025
As Multimodal Large Language Models (MLLMs) advance, multimodal agents show promise in real-world tasks like web navigation and embodied intelligence. However, due to limitations in a lack of external feedback, these agents struggle with self-correction and generalization. A promising approach is to use reward models as external feedback, but there is no clear on how to select reward models for agents. Thus, there is an urgent need to build a reward bench targeted at agents. To address these challenges, we propose Agent-RewardBench, a benchmark designed to evaluate reward modeling ability in MLLMs. The benchmark is characterized by three key features: (1) Multiple dimensions and real-world agent scenarios evaluation. It covers perception, planning, and safety with 7 scenarios; (2) Step-level reward evaluation. It allows for the assessment of agent capabilities at the individual steps of a task, providing a more granular view of performance during the planning process; and (3) Appropriately difficulty and high-quality. We carefully sample from 10 diverse models, difficulty control to maintain task challenges, and manual verification to ensure the integrity of the data. Experiments demonstrate that even state-of-the-art multimodal models show limited performance, highlighting the need for specialized training in agent reward modeling. Code is available at github.
comment: ACL 2025 Main
☆ Enhancing Automatic Term Extraction with Large Language Models via Syntactic Retrieval
Automatic Term Extraction (ATE) identifies domain-specific expressions that are crucial for downstream tasks such as machine translation and information retrieval. Although large language models (LLMs) have significantly advanced various NLP tasks, their potential for ATE has scarcely been examined. We propose a retrieval-based prompting strategy that, in the few-shot setting, selects demonstrations according to \emph{syntactic} rather than semantic similarity. This syntactic retrieval method is domain-agnostic and provides more reliable guidance for capturing term boundaries. We evaluate the approach in both in-domain and cross-domain settings, analyzing how lexical overlap between the query sentence and its retrieved examples affects performance. Experiments on three specialized ATE benchmarks show that syntactic retrieval improves F1-score. These findings highlight the importance of syntactic cues when adapting LLMs to terminology-extraction tasks.
☆ Complexity-aware fine-tuning
General-purpose Large Language Models (LLMs) are frequently fine-tuned through supervised fine-tuning (SFT) to enhance performance in specific domains. Better results can be achieved by distilling the chain-of-thought of a larger model at the cost of numerous expensive calls and a much greater amount of data. We propose a novel blueprint for efficient fine-tuning that uses reasoning only for complex data identified by entropy. Specifically, across two small open models ($\approx 3B$) we split the training data into complexity categories by a single token answer entropy (ROC AUC $0.73$), fine-tune large language models (LLMs) via SFT and distillation, and show that our pipeline significantly outperforms the standard SFT approach ($0.55$ vs $0.43$ average accuracy) and provides comparable with distillation performance while using $62\%$ less data ($0.55$ average accuracy for both). We publish our code and data to facilitate further research in this direction.
☆ Unveiling Causal Reasoning in Large Language Models: Reality or Mirage? NeurIPS 2024
Causal reasoning capability is critical in advancing large language models (LLMs) toward strong artificial intelligence. While versatile LLMs appear to have demonstrated capabilities in understanding contextual causality and providing responses that obey the laws of causality, it remains unclear whether they perform genuine causal reasoning akin to humans. However, current evidence indicates the contrary. Specifically, LLMs are only capable of performing shallow (level-1) causal reasoning, primarily attributed to the causal knowledge embedded in their parameters, but they lack the capacity for genuine human-like (level-2) causal reasoning. To support this hypothesis, methodologically, we delve into the autoregression mechanism of transformer-based LLMs, revealing that it is not inherently causal. Empirically, we introduce a new causal Q&A benchmark called CausalProbe-2024, whose corpora are fresh and nearly unseen for the studied LLMs. The LLMs exhibit a significant performance drop on CausalProbe-2024 compared to earlier benchmarks, indicating the fact that they primarily engage in level-1 causal reasoning. To bridge the gap towards level-2 causal reasoning, we draw inspiration from the fact that human reasoning is usually facilitated by general knowledge and intended goals. We propose G^2-Reasoner, a method that incorporates general knowledge and goal-oriented prompts into LLMs' causal reasoning processes. Experiments demonstrate that G^2-Reasoner significantly enhances LLMs' causal reasoning capability, particularly in fresh and counterfactual contexts. This work sheds light on a new path for LLMs to advance towards genuine causal reasoning, going beyond level-1 and making strides towards level-2.
comment: 24 pages, accepted at NeurIPS 2024
☆ Prompt-Guided Turn-Taking Prediction
Turn-taking prediction models are essential components in spoken dialogue systems and conversational robots. Recent approaches leverage transformer-based architectures to predict speech activity continuously and in real-time. In this study, we propose a novel model that enables turn-taking prediction to be dynamically controlled via textual prompts. This approach allows intuitive and explicit control through instructions such as "faster" or "calmer" adapting dynamically to conversational partners and contexts. The proposed model builds upon a transformer-based voice activity projection (VAP) model, incorporating textual prompt embeddings into both channel-wise transformers and a cross-channel transformer. We evaluated the feasibility of our approach using over 950 hours of human-human spoken dialogue data. Since textual prompt data for the proposed approach was not available in existing datasets, we utilized a large language model (LLM) to generate synthetic prompt sentences. Experimental results demonstrated that the proposed model improved prediction accuracy and effectively varied turn-taking timing behaviors according to the textual prompts.
comment: This paper has been accepted for presentation at SIGdial Meeting on Discourse and Dialogue 2025 (SIGDIAL 2025) and represents the author's version of the work
☆ Maintaining MTEB: Towards Long Term Usability and Reproducibility of Embedding Benchmarks
The Massive Text Embedding Benchmark (MTEB) has become a standard evaluation platform for text embedding models. While previous work has established the core benchmark methodology, this paper focuses on the engineering aspects that ensure MTEB's continued reproducibility and extensibility. We present our approach to maintaining robust continuous integration pipelines that validate dataset integrity, automate test execution, and assess benchmark results' generalizability. We detail the design choices that collectively enhance reproducibility and usability. Furthermore, we discuss our strategies for handling community contributions and extending the benchmark with new tasks and datasets. These engineering practices have been instrumental in scaling MTEB to become more comprehensive while maintaining quality and, ultimately, relevance to the field. Our experiences offer valuable insights for benchmark maintainers facing similar challenges in ensuring reproducibility and usability in machine learning evaluation frameworks. The MTEB repository is available at: https://github.com/embeddings-benchmark/mteb
☆ Compressed and Smooth Latent Space for Text Diffusion Modeling
Autoregressive language models dominate modern text generation, yet their sequential nature introduces fundamental limitations: decoding is slow, and maintaining global coherence remains challenging. Diffusion models offer a promising alternative by enabling parallel generation and flexible control; however, their application to text generation is hindered by the high dimensionality of token-level representations. We introduce Cosmos, a novel approach to text generation that operates entirely in a compressed, smooth latent space tailored specifically for diffusion. This space is learned using an autoencoder trained simultaneously for token-level reconstruction and alignment with frozen activations from a pretrained language encoder, providing robust semantic grounding and enabling effective perturbation-based augmentations. Empirically, we demonstrate that text representations can be compressed by $8\times$ while maintaining generation quality comparable to token-level diffusion models. Furthermore, increasing the latent sequence length allows Cosmos to surpass both diffusion-based and autoregressive baselines. We evaluate Cosmos on four diverse generative tasks including story generation, question generation, summarization, and detoxification and compare it with various generative paradigms. Cosmos achieves comparable or superior generation quality while offering more than $2\times$ faster inference.
☆ Progtuning: Progressive Fine-tuning Framework for Transformer-based Language Models
Fine-tuning is a promising technique for leveraging Transformer-based language models in downstream tasks. As model sizes continue to grow, updating all model parameters becomes increasingly costly. Parameter-efficient fine-tuning methods effectively address this issue by selectively updating a small subset of parameters. However, fine-tuning and most existing parameter-efficient fine-tuning methods require updating the same number of parameters as the initial size, ignoring the unequal contribution across Transformer blocks and leading to extremely inefficient allocation of computing resources. In this paper, we propose Progtuning, the novel fine-tuning framework combined with progressive learning for Transformer-based language models. Specifically, Progtuning progressively reduces the number of updated transformer blocks based on the contribution. Remarkably, Progtuning optimizes resource allocation and reduces the number of updated parameters by approximately 25\%, while still maintaining competitive performance. And it also exhibits high adaptability with parameter-efficient fine-tuning methods, demonstrating excellent performance across various adaptation scenarios.
comment: Accepted by ICONIP 2024
☆ Learning to Skip the Middle Layers of Transformers
Conditional computation is a popular strategy to make Transformers more efficient. Existing methods often target individual modules (e.g., mixture-of-experts layers) or skip layers independently of one another. However, interpretability research has demonstrated that the middle layers of Transformers exhibit greater redundancy, and that early layers aggregate information into token positions. Guided by these insights, we propose a novel architecture that dynamically skips a variable number of layers from the middle outward. In particular, a learned gating mechanism determines whether to bypass a symmetric span of central blocks based on the input, and a gated attention mechanism prevents subsequent tokens from attending to skipped token positions. Residual norms are controlled with a 'sandwich' or 'perilayernorm' scheme and gate sparsity with an adaptive regularization loss. We had aimed to reduce compute requirements for 'simpler' tokens and potentially foster an emergent multi-level representational hierarchy but, at the scales investigated, our approach does not achieve improvements in the trade-off between validation cross-entropy and estimated FLOPs compared to dense baselines with fewer layers. We release our code at https://github.com/tim-lawson/skip-middle.
comment: 11 pages, 2 figures
☆ ComRAG: Retrieval-Augmented Generation with Dynamic Vector Stores for Real-time Community Question Answering in Industry ACL 2025
Community Question Answering (CQA) platforms can be deemed as important knowledge bases in community, but effectively leveraging historical interactions and domain knowledge in real-time remains a challenge. Existing methods often underutilize external knowledge, fail to incorporate dynamic historical QA context, or lack memory mechanisms suited for industrial deployment. We propose ComRAG, a retrieval-augmented generation framework for real-time industrial CQA that integrates static knowledge with dynamic historical QA pairs via a centroid-based memory mechanism designed for retrieval, generation, and efficient storage. Evaluated on three industrial CQA datasets, ComRAG consistently outperforms all baselines--achieving up to 25.9% improvement in vector similarity, reducing latency by 8.7% to 23.3%, and lowering chunk growth from 20.23% to 2.06% over iterations.
comment: 7 pages, 4 figures. Accepted at ACL 2025 Industry Track
☆ DALR: Dual-level Alignment Learning for Multimodal Sentence Representation Learning ACL 2025
Previous multimodal sentence representation learning methods have achieved impressive performance. However, most approaches focus on aligning images and text at a coarse level, facing two critical challenges:cross-modal misalignment bias and intra-modal semantic divergence, which significantly degrade sentence representation quality. To address these challenges, we propose DALR (Dual-level Alignment Learning for Multimodal Sentence Representation). For cross-modal alignment, we propose a consistency learning module that softens negative samples and utilizes semantic similarity from an auxiliary task to achieve fine-grained cross-modal alignment. Additionally, we contend that sentence relationships go beyond binary positive-negative labels, exhibiting a more intricate ranking structure. To better capture these relationships and enhance representation quality, we integrate ranking distillation with global intra-modal alignment learning. Comprehensive experiments on semantic textual similarity (STS) and transfer (TR) tasks validate the effectiveness of our approach, consistently demonstrating its superiority over state-of-the-art baselines.
comment: Accepted by ACL 2025 Findings
☆ Enhancing LLM Tool Use with High-quality Instruction Data from Knowledge Graph
Teaching large language models (LLMs) to use tools is crucial for improving their problem-solving abilities and expanding their applications. However, effectively using tools is challenging because it requires a deep understanding of tool functionalities and user intentions. Previous methods relied mainly on LLMs to generate instruction data, but the quality of these data was often insufficient. In this paper, we propose a new method that uses knowledge graphs to generate high-quality instruction data for LLMs. Knowledge graphs are manually curated datasets rich in semantic information. We begin by extracting various query pathways from a given knowledge graph, which are transformed into a broad spectrum of user queries. We then translate the relationships between entities into actionable tools and parse the pathways of each query into detailed solution steps, thereby creating high-quality instruction data. Our experiments show that fine-tuning on just a small sample of this synthetic data can significantly improve the tool utilization and overall capabilities of LLMs.
comment: 20 pages, 12 figures
☆ MT2-CSD: A New Dataset and Multi-Semantic Knowledge Fusion Method for Conversational Stance Detection
In the realm of contemporary social media, automatic stance detection is pivotal for opinion mining, as it synthesizes and examines user perspectives on contentious topics to uncover prevailing trends and sentiments. Traditional stance detection research often targets individual instances, thereby limiting its capacity to model multi-party discussions typical in real social media scenarios. This shortcoming largely stems from the scarcity of datasets that authentically capture the dynamics of social media interactions, hindering advancements in conversational stance detection. In this paper, we introduce MT2-CSD, a comprehensive dataset for multi-target, multi-turn conversational stance detection. To the best of our knowledge, MT2-CSD is the largest dataset available for this purpose, comprising 24,457 annotated instances and exhibiting the greatest conversational depth, thereby presenting new challenges for stance detection. To address these challenges, we propose the Large Language model enhanced Conversational Relational Attention Network (LLM-CRAN), which exploits the reasoning capabilities of LLMs to improve conversational understanding. We conduct extensive experiments to evaluate the efficacy of LLM-CRAN on the MT2-CSD dataset. The experimental results indicate that LLM-CRAN significantly outperforms strong baseline models in the task of conversational stance detection.
☆ A Semi-supervised Scalable Unified Framework for E-commerce Query Classification ACL 2025
Query classification, including multiple subtasks such as intent and category prediction, is vital to e-commerce applications. E-commerce queries are usually short and lack context, and the information between labels cannot be used, resulting in insufficient prior information for modeling. Most existing industrial query classification methods rely on users' posterior click behavior to construct training samples, resulting in a Matthew vicious cycle. Furthermore, the subtasks of query classification lack a unified framework, leading to low efficiency for algorithm optimization. In this paper, we propose a novel Semi-supervised Scalable Unified Framework (SSUF), containing multiple enhanced modules to unify the query classification tasks. The knowledge-enhanced module uses world knowledge to enhance query representations and solve the problem of insufficient query information. The label-enhanced module uses label semantics and semi-supervised signals to reduce the dependence on posterior labels. The structure-enhanced module enhances the label representation based on the complex label relations. Each module is highly pluggable, and input features can be added or removed as needed according to each subtask. We conduct extensive offline and online A/B experiments, and the results show that SSUF significantly outperforms the state-of-the-art models.
comment: Accepted by ACL 2025
Large Language Models Acing Chartered Accountancy
Advanced intelligent systems, particularly Large Language Models (LLMs), are significantly reshaping financial practices through advancements in Natural Language Processing (NLP). However, the extent to which these models effectively capture and apply domain-specific financial knowledge remains uncertain. Addressing a critical gap in the expansive Indian financial context, this paper introduces CA-Ben, a Chartered Accountancy benchmark specifically designed to evaluate the financial, legal, and quantitative reasoning capabilities of LLMs. CA-Ben comprises structured question-answer datasets derived from the rigorous examinations conducted by the Institute of Chartered Accountants of India (ICAI), spanning foundational, intermediate, and advanced CA curriculum stages. Six prominent LLMs i.e. GPT 4o, LLAMA 3.3 70B, LLAMA 3.1 405B, MISTRAL Large, Claude 3.5 Sonnet, and Microsoft Phi 4 were evaluated using standardized protocols. Results indicate variations in performance, with Claude 3.5 Sonnet and GPT-4o outperforming others, especially in conceptual and legal reasoning. Notable challenges emerged in numerical computations and legal interpretations. The findings emphasize the strengths and limitations of current LLMs, suggesting future improvements through hybrid reasoning and retrieval-augmented generation methods, particularly for quantitative analysis and accurate legal interpretation.
comment: Accepted for publication at MoStart 2025: International Conference on Digital Transformation in Education and Applications of Artificial Intelligence, Bosnia and Herzegovina, 2025
☆ SAC: A Framework for Measuring and Inducing Personality Traits in LLMs with Dynamic Intensity Control
Large language models (LLMs) have gained significant traction across a wide range of fields in recent years. There is also a growing expectation for them to display human-like personalities during interactions. To meet this expectation, numerous studies have proposed methods for modelling LLM personalities through psychometric evaluations. However, most existing models face two major limitations: they rely on the Big Five (OCEAN) framework, which only provides coarse personality dimensions, and they lack mechanisms for controlling trait intensity. In this paper, we address this gap by extending the Machine Personality Inventory (MPI), which originally used the Big Five model, to incorporate the 16 Personality Factor (16PF) model, allowing expressive control over sixteen distinct traits. We also developed a structured framework known as Specific Attribute Control (SAC) for evaluating and dynamically inducing trait intensity in LLMs. Our method introduces adjective-based semantic anchoring to guide trait intensity expression and leverages behavioural questions across five intensity factors: \textit{Frequency}, \textit{Depth}, \textit{Threshold}, \textit{Effort}, and \textit{Willingness}. Through experimentation, we find that modelling intensity as a continuous spectrum yields substantially more consistent and controllable personality expression compared to binary trait toggling. Moreover, we observe that changes in target trait intensity systematically influence closely related traits in psychologically coherent directions, suggesting that LLMs internalize multi-dimensional personality structures rather than treating traits in isolation. Our work opens new pathways for controlled and nuanced human-machine interactions in domains such as healthcare, education, and interviewing processes, bringing us one step closer to truly human-like social machines.
comment: Under review
☆ SharpZO: Hybrid Sharpness-Aware Vision Language Model Prompt Tuning via Forward-Only Passes
Fine-tuning vision language models (VLMs) has achieved remarkable performance across various downstream tasks; yet, it requires access to model gradients through backpropagation (BP), making them unsuitable for memory-constrained, inference-only edge devices. To address this limitation, previous work has explored various BP-free fine-tuning methods. However, these approaches often rely on high-variance evolutionary strategies (ES) or zeroth-order (ZO) optimization, and often fail to achieve satisfactory performance. In this paper, we propose a hybrid Sharpness-aware Zeroth-order optimization (SharpZO) approach, specifically designed to enhance the performance of ZO VLM fine-tuning via a sharpness-aware warm-up training. SharpZO features a two-stage optimization process: a sharpness-aware ES stage that globally explores and smooths the loss landscape to construct a strong initialization, followed by a fine-grained local search via sparse ZO optimization. The entire optimization relies solely on forward passes. Detailed theoretical analysis and extensive experiments on CLIP models demonstrate that SharpZO significantly improves accuracy and convergence speed, achieving up to 7% average gain over state-of-the-art forward-only methods.
☆ Can Gradient Descent Simulate Prompting?
There are two primary ways of incorporating new information into a language model (LM): changing its prompt or changing its parameters, e.g. via fine-tuning. Parameter updates incur no long-term storage cost for model changes. However, for many model updates, prompting is significantly more effective: prompted models can generalize robustly from single examples and draw logical inferences that do not occur under standard fine-tuning. Can models be modified so that fine-tuning does emulate prompting? This paper describes a method for meta-training LMs such that gradient updates emulate the effects of conditioning on new information. Our approach uses tools from gradient-based meta-learning but uses an LM's own prompted predictions as targets, eliminating the need for ground-truth labels. Subsequent gradient descent training recovers some (and occasionally all) of prompted model performance -- showing improvement on the ``reversal curse'' tasks, and answering questions about text passages after a single gradient update. These results suggest that, with appropriate initialization, gradient descent can be surprisingly expressive. Our results suggest new avenues for long-context modeling and offer insight into the generalization capabilities of gradient-based learning.
comment: 14 pages, 2 figures
☆ Beyond Reactive Safety: Risk-Aware LLM Alignment via Long-Horizon Simulation
Given the growing influence of language model-based agents on high-stakes societal decisions, from public policy to healthcare, ensuring their beneficial impact requires understanding the far-reaching implications of their suggestions. We propose a proof-of-concept framework that projects how model-generated advice could propagate through societal systems on a macroscopic scale over time, enabling more robust alignment. To assess the long-term safety awareness of language models, we also introduce a dataset of 100 indirect harm scenarios, testing models' ability to foresee adverse, non-obvious outcomes from seemingly harmless user prompts. Our approach achieves not only over 20% improvement on the new dataset but also an average win rate exceeding 70% against strong baselines on existing safety benchmarks (AdvBench, SafeRLHF, WildGuardMix), suggesting a promising direction for safer agents.
☆ KaLM-Embedding-V2: Superior Training Techniques and Data Inspire A Versatile Embedding Model
In this paper, we propose KaLM-Embedding-V2, a versatile and compact embedding model, which achieves impressive performance in general-purpose text embedding tasks by leveraging superior training techniques and data. Our key innovations include: (1) To better align the architecture with representation learning, we remove the causal attention mask and adopt a fully bidirectional transformer with simple yet effective mean-pooling to produce fixed-length embeddings; (2) We employ a multi-stage training pipeline: (i) pre-training on large-scale weakly supervised open-source corpora; (ii) fine-tuning on high-quality retrieval and non-retrieval datasets; and (iii) model-soup parameter averaging for robust generalization. Besides, we introduce a focal-style reweighting mechanism that concentrates learning on difficult samples and an online hard-negative mixing strategy to continuously enrich hard negatives without expensive offline mining; (3) We collect over 20 categories of data for pre-training and 100 categories of data for fine-tuning, to boost both the performance and generalization of the embedding model. Extensive evaluations on the Massive Text Embedding Benchmark (MTEB) Chinese and English show that our model significantly outperforms others of comparable size, and competes with 3x, 14x, 18x, and 26x larger embedding models, setting a new standard for a versatile and compact embedding model with less than 1B parameters.
comment: Technical Report; 26 pages 12 tables 1 figure. arXiv admin note: substantial text overlap with arXiv:2501.01028
☆ FineWeb2: One Pipeline to Scale Them All -- Adapting Pre-Training Data Processing to Every Language
Pre-training state-of-the-art large language models (LLMs) requires vast amounts of clean and diverse text data. While the open development of large high-quality English pre-training datasets has seen substantial recent progress, training performant multilingual LLMs remains a challenge, in large part due to the inherent difficulty of tailoring filtering and deduplication pipelines to a large number of languages. In this work, we introduce a new pre-training dataset curation pipeline based on FineWeb that can be automatically adapted to support any language. We extensively ablate our pipeline design choices on a set of nine diverse languages, guided by a set of meaningful and informative evaluation tasks that were chosen through a novel selection process based on measurable criteria. Ultimately, we show that our pipeline can be used to create non-English corpora that produce more performant models than prior datasets. We additionally introduce a straightforward and principled approach to rebalance datasets that takes into consideration both duplication count and quality, providing an additional performance uplift. Finally, we scale our pipeline to over 1000 languages using almost 100 Common Crawl snapshots to produce FineWeb2, a new 20 terabyte (5 billion document) multilingual dataset which we release along with our pipeline, training, and evaluation codebases.
☆ Optimising Language Models for Downstream Tasks: A Post-Training Perspective
Language models (LMs) have demonstrated remarkable capabilities in NLP, yet adapting them efficiently and robustly to specific tasks remains challenging. As their scale and complexity grow, fine-tuning LMs on labelled data often underutilizes available unlabelled data, leads to overfitting on small task-specific sets, and imposes significant computational costs. These limitations hamper their application to the open-ended landscape of real-world language tasks. This thesis proposes a series of methods to better adapt LMs to downstream applications. First, we explore strategies for extracting task-relevant knowledge from unlabelled data, introducing a novel continued pre-training technique that outperforms state-of-the-art semi-supervised approaches. Next, we present a parameter-efficient fine-tuning method that substantially reduces memory and compute costs while maintaining competitive performance. We also introduce improved supervised fine-tuning methods that enable LMs to better follow instructions, especially when labelled data is scarce, enhancing their performance across a range of NLP tasks, including open-ended generation. Finally, we develop new evaluation methods and benchmarks, such as multi-hop spatial reasoning tasks, to assess LM capabilities and adaptation more comprehensively. Through extensive empirical studies across diverse NLP tasks, our results demonstrate that these approaches substantially improve LM robustness, efficiency, and generalization, making them more adaptable to a broad range of applications. These advances mark a significant step towards more robust and efficient LMs, bringing us closer to the goal of artificial general intelligence.
comment: PhD Thesis
♻ ☆ OpenNER 1.0: Standardized Open-Access Named Entity Recognition Datasets in 50+ Languages
We present OpenNER 1.0, a standardized collection of openly-available named entity recognition (NER) datasets. OpenNER contains 36 NER corpora that span 52 languages, human-annotated in varying named entity ontologies. We correct annotation format issues, standardize the original datasets into a uniform representation with consistent entity type names across corpora, and provide the collection in a structure that enables research in multilingual and multi-ontology NER. We provide baseline results using three pretrained multilingual language models and two large language models to compare the performance of recent models and facilitate future research in NER. We find that no single model is best in all languages and that significant work remains to obtain high performance from LLMs on the NER task.
comment: Under review
♻ ☆ Prompting with Phonemes: Enhancing LLMs' Multilinguality for Non-Latin Script Languages NAACL 2025
Although multilingual LLMs have achieved remarkable performance across benchmarks, we find they continue to underperform on non-Latin script languages across contemporary LLM families. This discrepancy arises from the fact that LLMs are pretrained with orthographic scripts, which are dominated by Latin characters that obscure their shared phonology with non-Latin scripts. We propose leveraging phonemic transcriptions as complementary signals to induce script-invariant representations. Our study demonstrates that integrating phonemic signals improves performance across both non-Latin and Latin script languages, with a particularly significant impact on closing the performance gap between the two. Through detailed experiments, we show that phonemic and orthographic scripts retrieve distinct examples for in-context learning (ICL). This motivates our proposed Mixed-ICL retrieval strategy, where further aggregation from both leads to our significant performance improvements for both Latin script languages (up to 12.6%) and non-Latin script languages (up to 15.1%) compared to randomized ICL retrieval.
comment: Accepted to NAACL 2025 (Main Conference). This version contains minor improvements to the camera-ready
♻ ☆ From Web Search towards Agentic Deep Research: Incentivizing Search with Reasoning Agents
Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex, multi-step information needs. Our position is that Large Language Models (LLMs), endowed with reasoning and agentic capabilities, are ushering in a new paradigm termed Agentic Deep Research. These systems transcend conventional information search techniques by tightly integrating autonomous reasoning, iterative retrieval, and information synthesis into a dynamic feedback loop. We trace the evolution from static web search to interactive, agent-based systems that plan, explore, and learn. We also introduce a test-time scaling law to formalize the impact of computational depth on reasoning and search. Supported by benchmark results and the rise of open-source implementations, we demonstrate that Agentic Deep Research not only significantly outperforms existing approaches, but is also poised to become the dominant paradigm for future information seeking. All the related resources, including industry products, research papers, benchmark datasets, and open-source implementations, are collected for the community in https://github.com/DavidZWZ/Awesome-Deep-Research.
♻ ☆ Explainability of Large Language Models using SMILE: Statistical Model-agnostic Interpretability with Local Explanations
Large language models like GPT, LLAMA, and Claude have become incredibly powerful at generating text, but they are still black boxes, so it is hard to understand how they decide what to say. That lack of transparency can be problematic, especially in fields where trust and accountability matter. To help with this, we introduce SMILE, a new method that explains how these models respond to different parts of a prompt. SMILE is model-agnostic and works by slightly changing the input, measuring how the output changes, and then highlighting which words had the most impact. Create simple visual heat maps showing which parts of a prompt matter the most. We tested SMILE on several leading LLMs and used metrics such as accuracy, consistency, stability, and fidelity to show that it gives clear and reliable explanations. By making these models easier to understand, SMILE brings us one step closer to making AI more transparent and trustworthy.
comment: The submission contains incorrect references that require substantial revision
♻ ☆ Rethinking LLM Training through Information Geometry and Quantum Metrics
Optimization in large language models (LLMs) unfolds over high-dimensional parameter spaces with non-Euclidean structure. Information geometry frames this landscape using the Fisher information metric, enabling more principled learning via natural gradient descent. Though often impractical, this geometric lens clarifies phenomena such as sharp minima, generalization, and observed scaling laws. We argue that curvature-aware approaches deepen our understanding of LLM training. Finally, we speculate on quantum analogies based on the Fubini-Study metric and Quantum Fisher Information, hinting at efficient optimization in quantum-enhanced systems.
comment: 9 pages, 1 figure(s)
♻ ☆ DiffuCoder: Understanding and Improving Masked Diffusion Models for Code Generation
Diffusion large language models (dLLMs) are compelling alternatives to autoregressive (AR) models because their denoising models operate over the entire sequence. The global planning and iterative refinement features of dLLMs are particularly useful for code generation. However, current training and inference mechanisms for dLLMs in coding are still under-explored. To demystify the decoding behavior of dLLMs and unlock their potential for coding, we systematically investigate their denoising processes and reinforcement learning (RL) methods. We train a 7B dLLM, \textbf{DiffuCoder}, on 130B tokens of code. Using this model as a testbed, we analyze its decoding behavior, revealing how it differs from that of AR models: (1) dLLMs can decide how causal their generation should be without relying on semi-AR decoding, and (2) increasing the sampling temperature diversifies not only token choices but also their generation order. This diversity creates a rich search space for RL rollouts. For RL training, to reduce the variance of token log-likelihood estimates and maintain training efficiency, we propose \textbf{coupled-GRPO}, a novel sampling scheme that constructs complementary mask noise for completions used in training. In our experiments, coupled-GRPO significantly improves DiffuCoder's performance on code generation benchmarks (+4.4\% on EvalPlus) and reduces reliance on AR bias during decoding. Our work provides deeper insight into the machinery of dLLM generation and offers an effective, diffusion-native RL training framework. https://github.com/apple/ml-diffucoder.
comment: minor update
♻ ☆ Thinkless: LLM Learns When to Think
Reasoning Language Models, capable of extended chain-of-thought reasoning, have demonstrated remarkable performance on tasks requiring complex logical inference. However, applying elaborate reasoning for all queries often results in substantial computational inefficiencies, particularly when many problems admit straightforward solutions. This motivates an open question: Can LLMs learn when to think? To answer this, we propose Thinkless, a learnable framework that empowers an LLM to adaptively select between short-form and long-form reasoning, based on both task complexity and the model's ability. Thinkless is trained under a reinforcement learning paradigm and employs two control tokens, for concise responses and for detailed reasoning. At the core of our method is a Decoupled Group Relative Policy Optimization (DeGRPO) algorithm, which decomposes the learning objective of hybrid reasoning into two components: (1) a control token loss that governs the selection of the reasoning mode, and (2) a response loss that improves the accuracy of the generated answers. This decoupled formulation enables fine-grained control over the contributions of each objective, stabilizing training and effectively preventing collapse observed in vanilla GRPO. Empirically, on several benchmarks such as Minerva Algebra, MATH-500, and GSM8K, Thinkless is able to reduce the usage of long-chain thinking by 50% - 90%, significantly improving the efficiency of Reasoning Language Models. The code is available at https://github.com/VainF/Thinkless
♻ ☆ A Troublemaker with Contagious Jailbreak Makes Chaos in Honest Towns ACL 2025
With the development of large language models, they are widely used as agents in various fields. A key component of agents is memory, which stores vital information but is susceptible to jailbreak attacks. Existing research mainly focuses on single-agent attacks and shared memory attacks. However, real-world scenarios often involve independent memory. In this paper, we propose the Troublemaker Makes Chaos in Honest Town (TMCHT) task, a large-scale, multi-agent, multi-topology text-based attack evaluation framework. TMCHT involves one attacker agent attempting to mislead an entire society of agents. We identify two major challenges in multi-agent attacks: (1) Non-complete graph structure, (2) Large-scale systems. We attribute these challenges to a phenomenon we term toxicity disappearing. To address these issues, we propose an Adversarial Replication Contagious Jailbreak (ARCJ) method, which optimizes the retrieval suffix to make poisoned samples more easily retrieved and optimizes the replication suffix to make poisoned samples have contagious ability. We demonstrate the superiority of our approach in TMCHT, with 23.51%, 18.95%, and 52.93% improvements in line topology, star topology, and 100-agent settings. Encourage community attention to the security of multi-agent systems.
comment: ACL 2025 Main
♻ ☆ Simulating Hard Attention Using Soft Attention
We study conditions under which transformers using soft attention can simulate hard attention, that is, effectively focus all attention on a subset of positions. First, we examine several subclasses of languages recognized by hard-attention transformers, which can be defined in variants of linear temporal logic. We demonstrate how soft-attention transformers can compute formulas of these logics using unbounded positional embeddings or temperature scaling. Second, we demonstrate how temperature scaling allows softmax transformers to simulate general hard-attention transformers, using a temperature that depends on the minimum gap between the maximum attention scores and other attention scores.
comment: 19 pages
♻ ☆ Capturing Style in Author and Document Representation
A wide range of Deep Natural Language Processing (NLP) models integrates continuous and low dimensional representations of words and documents. Surprisingly, very few models study representation learning for authors. These representations can be used for many NLP tasks, such as author identification and classification, or in recommendation systems. A strong limitation of existing works is that they do not explicitly capture writing style, making them hardly applicable to literary data. We therefore propose a new architecture based on Variational Information Bottleneck (VIB) that learns embeddings for both authors and documents with a stylistic constraint. Our model fine-tunes a pre-trained document encoder. We stimulate the detection of writing style by adding predefined stylistic features making the representation axis interpretable with respect to writing style indicators. We evaluate our method on three datasets: a literary corpus extracted from the Gutenberg Project, the Blog Authorship Corpus and IMDb62, for which we show that it matches or outperforms strong/recent baselines in authorship attribution while capturing much more accurately the authors stylistic aspects.
♻ ☆ TAPS: Tool-Augmented Personalisation via Structured Tagging
Recent advancements in tool-augmented large language models have enabled them to interact with external tools, enhancing their ability to perform complex user tasks. However, existing approaches overlook the role of personalisation in guiding tool use. This work investigates how user preferences can be effectively integrated into goal-oriented dialogue agents. Through extensive analysis, we identify key weaknesses in the ability of LLMs to personalise tool use. To this end, we introduce TAPS, a novel solution that enhances personalised tool use by leveraging a structured tagging tool and an uncertainty-based tool detector. TAPS significantly improves the ability of LLMs to incorporate user preferences, achieving the new state-of-the-art for open source models on the NLSI task.
♻ ☆ LLM-Based Human-Agent Collaboration and Interaction Systems: A Survey
Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. These human-agent collaboration systems enable humans and LLM-based agents to collaborate effectively by leveraging their complementary strengths. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities arising from human-AI collaboration. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-Human-Agent-Collaboration-Interaction-Systems.
comment: Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-Human-Agent-Collaboration-Interaction-Systems
♻ ☆ CVC: A Large-Scale Chinese Value Rule Corpus for Value Alignment of Large Language Models
Ensuring that Large Language Models (LLMs) align with mainstream human values and ethical norms is crucial for the safe and sustainable development of AI. Current value evaluation and alignment are constrained by Western cultural bias and incomplete domestic frameworks reliant on non-native rules; furthermore, the lack of scalable, rule-driven scenario generation methods makes evaluations costly and inadequate across diverse cultural contexts. To address these challenges, we propose a hierarchical value framework grounded in core Chinese values, encompassing three main dimensions, 12 core values, and 50 derived values. Based on this framework, we construct a large-scale Chinese Values Corpus (CVC) containing over 250,000 value rules enhanced and expanded through human annotation. Experimental results show that CVC-guided scenarios outperform direct generation ones in value boundaries and content diversity. In the evaluation across six sensitive themes (e.g., surrogacy, suicide), seven mainstream LLMs preferred CVC-generated options in over 70.5% of cases, while five Chinese human annotators showed an 87.5% alignment with CVC, confirming its universality, cultural relevance, and strong alignment with Chinese values. Additionally, we construct 400,000 rule-based moral dilemma scenarios that objectively capture nuanced distinctions in conflicting value prioritization across 17 LLMs. Our work establishes a culturally-adaptive benchmarking framework for comprehensive value evaluation and alignment, representing Chinese characteristics. All data are available at https://huggingface.co/datasets/Beijing-AISI/CVC, and the code is available at https://github.com/Beijing-AISI/CVC.
♻ ☆ Do Large Language Models Advocate for Inferentialism?
The emergence of large language models (LLMs) such as ChatGPT and Claude presents new challenges for philosophy of language, particularly regarding the nature of linguistic meaning and representation. While LLMs have traditionally been understood through distributional semantics, this paper explores Robert Brandom's inferential semantics as an alternative foundational framework for understanding these systems. We examine how key features of inferential semantics -- including its anti-representationalist stance, logical expressivism, and quasi-compositional approach -- align with the architectural and functional characteristics of Transformer-based LLMs. Through analysis of the ISA (Inference, Substitution, Anaphora) approach, we demonstrate that LLMs exhibit fundamentally anti-representationalist properties in their processing of language. We further develop a consensus theory of truth appropriate for LLMs, grounded in their interactive and normative dimensions through mechanisms like RLHF. While acknowledging significant tensions between inferentialism's philosophical commitments and LLMs' sub-symbolic processing, this paper argues that inferential semantics provides valuable insights into how LLMs generate meaning without reference to external world representations. Our analysis suggests that LLMs may challenge traditional assumptions in philosophy of language, including strict compositionality and semantic externalism, though further empirical investigation is needed to fully substantiate these theoretical claims.
♻ ☆ Learning Evaluation Models from Large Language Models for Sequence Generation
Automatic evaluation of sequence generation, traditionally reliant on metrics like BLEU and ROUGE, often fails to capture the semantic accuracy of generated text sequences due to their emphasis on n-gram overlap. A promising solution to this problem is to develop model-based metrics, such as BLEURT and COMET. However, these approaches are typically hindered by the scarcity of labeled evaluation data, which is necessary to train the evaluation models. In this work, we build upon this challenge by proposing the Customized Sequence Evaluation Metric (CSEM), a three-stage evaluation model training method that utilizes large language models to generate labeled data for model-based metric development, thereby eliminating the need for human-labeled data. Additionally, we expand the scope of CSEM to support various evaluation types, including single-aspect, multi-aspect, reference-free, and reference-based evaluations, enabling the customization of metrics to suit diverse real-world scenarios. Experimental results on the SummEval benchmark demonstrate that CSEM can effectively train an evaluation model without human-labeled data. Further experiments in reinforcement learning and reranking show that metrics developed through CSEM outperform traditional evaluation metrics, leading to substantial improvements in sequence quality as evaluated by both commonly used metrics and ChatGPT.
comment: Accepted by TASLP 2025
♻ ☆ HERMES: temporal-coHERent long-forM understanding with Episodes and Semantics ICCV 2025
Long-form video understanding presents unique challenges that extend beyond traditional short-video analysis approaches, particularly in capturing long-range dependencies, processing redundant information efficiently, and extracting high-level semantic concepts. To address these challenges, we propose a novel approach that more accurately reflects human cognition. This paper introduces HERMES: temporal-coHERent long-forM understanding with Episodes and Semantics, featuring two versatile modules that can enhance existing video-language models or operate as a standalone system. Our Episodic COmpressor (ECO) efficiently aggregates representations from micro to semi-macro levels, reducing computational overhead while preserving temporal dependencies. Our Semantics ReTRiever (SeTR) enriches these representations with semantic information by focusing on broader context, dramatically reducing feature dimensionality while preserving relevant macro-level information. We demonstrate that these modules can be seamlessly integrated into existing SOTA models, consistently improving their performance while reducing inference latency by up to 43% and memory usage by 46%. As a standalone system, HERMES achieves state-of-the-art performance across multiple long-video understanding benchmarks in both zero-shot and fully-supervised settings.
comment: Accepted for ICCV 2025. Project page: https://joslefaure.github.io/assets/html/hermes.html
♻ ☆ Evaluating Rare Disease Diagnostic Performance in Symptom Checkers: A Synthetic Vignette Simulation Approach
Symptom Checkers (SCs) provide medical information tailored to user symptoms. A critical challenge in SC development is preventing unexpected performance degradation for individual diseases, especially rare diseases, when updating algorithms. This risk stems from the lack of practical pre-deployment evaluation methods. For rare diseases, obtaining sufficient evaluation data from user feedback is difficult. To evaluate the impact of algorithm updates on the diagnostic performance for individual rare diseases before deployment, this study proposes and validates a novel Synthetic Vignette Simulation Approach. This approach aims to enable this essential evaluation efficiently and at a low cost. To estimate the impact of algorithm updates, we generated synthetic vignettes from disease-phenotype annotations in the Human Phenotype Ontology (HPO), a publicly available knowledge base for rare diseases curated by experts. Using these vignettes, we simulated SC interviews to predict changes in diagnostic performance. The effectiveness of this approach was validated retrospectively by comparing the predicted changes with actual performance metrics using the R-squared ($R^2$) coefficient. Our experiment, covering eight past algorithm updates for rare diseases, showed that the proposed method accurately predicted performance changes for diseases with phenotype frequency information in HPO (n=5). For these updates, we found a strong correlation for both Recall@8 change ($R^2$ = 0.83,$p$ = 0.031) and Precision@8 change ($R^2$ = 0.78,$p$ = 0.047). Our proposed method enables the pre-deployment evaluation of SC algorithm changes for individual rare diseases. This evaluation is based on a publicly available medical knowledge database created by experts, ensuring transparency and explainability for stakeholders. Additionally, SC developers can efficiently improve diagnostic performance at a low cost.
♻ ☆ Search and Refine During Think: Autonomous Retrieval-Augmented Reasoning of LLMs
Large language models have demonstrated impressive reasoning capabilities but are inherently limited by their knowledge reservoir. Retrieval-augmented reasoning mitigates this limitation by allowing LLMs to query external resources, but existing methods often retrieve irrelevant or noisy information, hindering accurate reasoning. In this paper, we propose AutoRefine, a reinforcement learning post-training framework that adopts a new ``search-and-refine-during-think'' paradigm. AutoRefine introduces explicit knowledge refinement steps between successive search calls, enabling the model to iteratively filter, distill, and organize evidence before generating an answer. Furthermore, we incorporate tailored retrieval-specific rewards alongside answer correctness rewards using group relative policy optimization. Experiments on single-hop and multi-hop QA benchmarks demonstrate that AutoRefine significantly outperforms existing approaches, particularly in complex, multi-hop reasoning scenarios. Detailed analysis shows that AutoRefine issues frequent, higher-quality searches and synthesizes evidence effectively.
♻ ☆ MockLLM: A Multi-Agent Behavior Collaboration Framework for Online Job Seeking and Recruiting KDD 2025
Online recruitment platforms have reshaped job-seeking and recruiting processes, driving increased demand for applications that enhance person-job matching. Traditional methods generally rely on analyzing textual data from resumes and job descriptions, limiting the dynamic, interactive aspects crucial to effective recruitment. Recent advances in Large Language Models (LLMs) have revealed remarkable potential in simulating adaptive, role-based dialogues, making them well-suited for recruitment scenarios. In this paper, we propose \textbf{MockLLM}, a novel framework to generate and evaluate mock interview interactions. The system consists of two key components: mock interview generation and two-sided evaluation in handshake protocol. By simulating both interviewer and candidate roles, MockLLM enables consistent and collaborative interactions for real-time and two-sided matching. To further improve the matching quality, MockLLM further incorporates reflection memory generation and dynamic strategy modification, refining behaviors based on previous experience. We evaluate MockLLM on real-world data Boss Zhipin, a major Chinese recruitment platform. The experimental results indicate that MockLLM outperforms existing methods in matching accuracy, scalability, and adaptability across job domains, highlighting its potential to advance candidate assessment and online recruitment.
comment: Accepted by KDD 2025 Research Track
♻ ☆ SceneGenAgent: Precise Industrial Scene Generation with Coding Agent ACL 2025
The modeling of industrial scenes is essential for simulations in industrial manufacturing. While large language models (LLMs) have shown significant progress in generating general 3D scenes from textual descriptions, generating industrial scenes with LLMs poses a unique challenge due to their demand for precise measurements and positioning, requiring complex planning over spatial arrangement. To address this challenge, we introduce SceneGenAgent, an LLM-based agent for generating industrial scenes through C# code. SceneGenAgent ensures precise layout planning through a structured and calculable format, layout verification, and iterative refinement to meet the quantitative requirements of industrial scenarios. Experiment results demonstrate that LLMs powered by SceneGenAgent exceed their original performance, reaching up to 81.0% success rate in real-world industrial scene generation tasks and effectively meeting most scene generation requirements. To further enhance accessibility, we construct SceneInstruct, a dataset designed for fine-tuning open-source LLMs to integrate into SceneGenAgent. Experiments show that fine-tuning open-source LLMs on SceneInstruct yields significant performance improvements, with Llama3.1-70B approaching the capabilities of GPT-4o. Our code and data are available at https://github.com/THUDM/SceneGenAgent .
comment: Accepted to ACL 2025
♻ ☆ SACL: Understanding and Combating Textual Bias in Code Retrieval with Semantic-Augmented Reranking and Localization
Retrieval-Augmented Code Generation (RACG) is a critical technique for enhancing code generation by retrieving relevant information. In this work, we conduct an in-depth analysis of code retrieval by systematically masking specific features while preserving code functionality. Our discoveries include: (1) although trained on code, current retrievers heavily rely on surface-level textual features (e.g., docstrings, identifier names), and (2) they exhibit a strong bias towards well-documented code, even if the documentation is irrelevant. Based on our discoveries, we propose SACL, a framework that enriches textual information and reduces bias by augmenting code or structural knowledge with semantic information. Extensive experiments show that SACL substantially improves code retrieval (e.g., by 12.8% / 9.4% / 7.0% Recall@1 on HumanEval / MBPP / SWE-Bench-Lite), which also leads to better code generation performance (e.g., by 4.88% Pass@1 on HumanEval).
♻ ☆ Comparing Retrieval-Augmentation and Parameter-Efficient Fine-Tuning for Privacy-Preserving Personalization of Large Language Models
Despite its substantial impact on various search, recommendation, and question answering tasks, privacy-preserving methods for personalizing large language models (LLMs) have received relatively limited exploration. There is one primary approach in this area through retrieval-augmented generation (RAG), which generates personalized outputs by enriching the input prompt with information retrieved from the user's personal data. This paper studies an orthogonal approach to RAG that involves learning user-dependent LLM parameters through parameter-efficient fine-tuning (PEFT). This paper presents the first systematic study for exploration of PEFT for LLM personalization and provides an extensive comparisons between RAG- and PEFT-based solutions, across a broad set of seven diverse datasets from the LaMP benchmark. Our results demonstrate that, on average, both RAG- and PEFT-based personalization methods yield 14.92% and 1.07% improvements over non-personalized LLMs, respectively. When combining RAG with PEFT, we observe a further improvement of 15.98%, highlighting the effectiveness of their integration in enhancing personalized text generation. Additionally, we identify a positive correlation between the amount of user data available and the effectiveness of PEFT. This finding suggests that RAG is particularly beneficial for cold-start users -- users with limited personal data -- while PEFT performs better when more user-specific data is available.
♻ ☆ Reward-Guided Speculative Decoding for Efficient LLM Reasoning
We introduce Reward-Guided Speculative Decoding (RSD), a novel framework aimed at improving the efficiency of inference in large language models (LLMs). RSD synergistically combines a lightweight draft model with a more powerful target model, incorporating a controlled bias to prioritize high-reward outputs, in contrast to existing speculative decoding methods that enforce strict unbiasedness. RSD employs a process reward model to evaluate intermediate decoding steps and dynamically decide whether to invoke the target model, optimizing the trade-off between computational cost and output quality. We theoretically demonstrate that a threshold-based mixture strategy achieves an optimal balance between resource utilization and performance. Extensive evaluations on challenging reasoning benchmarks, including Olympiad-level tasks, show that RSD delivers significant efficiency gains against decoding with the target model only (up to 4.4x fewer FLOPs), while achieving significant better accuracy than parallel decoding method on average (up to +3.5). These results highlight RSD as a robust and cost-effective approach for deploying LLMs in resource-intensive scenarios. The code is available at https://github.com/BaohaoLiao/RSD.
comment: 17 pages
♻ ☆ Learning to Rank for Multiple Retrieval-Augmented Models through Iterative Utility Maximization
This paper investigates the design of a unified search engine to serve multiple retrieval-augmented generation (RAG) agents, each with a distinct task, backbone large language model (LLM), and RAG strategy. We introduce an iterative approach where the search engine generates retrieval results for the RAG agents and gathers feedback on the quality of the retrieved documents during an offline phase. This feedback is then used to iteratively optimize the search engine using an expectation-maximization algorithm, with the goal of maximizing each agent's utility function. Additionally, we adapt this to an online setting, allowing the search engine to refine its behavior based on real-time individual agents feedback to better serve the results for each of them. Experiments on datasets from the Knowledge-Intensive Language Tasks (KILT) benchmark demonstrates that our approach significantly on average outperforms baselines across 18 RAG models. We demonstrate that our method effectively ``personalizes'' the retrieval for each RAG agent based on the collected feedback. Finally, we provide a comprehensive ablation study to explore various aspects of our method.
♻ ☆ Evaluating Large Language Models for Automated Clinical Abstraction in Pulmonary Embolism Registries: Performance Across Model Sizes, Versions, and Parameters
Pulmonary embolism (PE) registries accelerate practice improving research but rely on labor intensive manual abstraction of radiology reports. We examined whether openly available large language models (LLMs) can automate concept extraction from computed tomography PE (CTPE) reports without loss of data quality. Four Llama 3 variants (3.0 8B, 3.1 8B, 3.1 70B, 3.3 70B) and one reviewer model, Phi 4 14B, were tested on 250 dual annotated CTPE reports from each of MIMIC IV and Duke University. Accuracy, positive predictive value (PPV) and negative predictive value (NPV) versus a human gold standard were measured across model size, temperature and shot count. Mean accuracy rose with scale: 0.83 (3.0 8B), 0.91 (3.1 8B) and 0.96 for both 70B variants; Phi 4 14B reached 0.98. Accuracy differed by less than 0.03 between datasets, indicating external robustness. In dual model concordance (L3 70B plus Phi 4 14B) PPV for PE presence was at least 0.95 and NPV at least 0.98, while location, thrombus burden, right heart strain and image quality artifacts each achieved PPV of at least 0.90 and NPV of at least 0.95. Fewer than four percent of individual concept annotations were discordant, and full agreement occurred in more than seventy five percent of reports. Large language models therefore provide a scalable, accurate solution for PE registry abstraction, and a dual model review workflow can safeguard data quality with minimal human oversight.
♻ ☆ PP-DocBee: Improving Multimodal Document Understanding Through a Bag of Tricks
With the rapid advancement of digitalization, various document images are being applied more extensively in production and daily life, and there is an increasingly urgent need for fast and accurate parsing of the content in document images. Therefore, this report presents PP-DocBee, a novel multimodal large language model designed for end-to-end document image understanding. First, we develop a data synthesis strategy tailored to document scenarios in which we build a diverse dataset to improve the model generalization. Then, we apply a few training techniques, including dynamic proportional sampling, data preprocessing, and OCR postprocessing strategies. Extensive evaluations demonstrate the superior performance of PP-DocBee, achieving state-of-the-art results on English document understanding benchmarks and even outperforming existing open source and commercial models in Chinese document understanding. The source code and pre-trained models are publicly available at \href{https://github.com/PaddlePaddle/PaddleMIX}{https://github.com/PaddlePaddle/PaddleMIX}.
Computer Vision and Pattern Recognition 100
☆ Whole-Body Conditioned Egocentric Video Prediction
We train models to Predict Ego-centric Video from human Actions (PEVA), given the past video and an action represented by the relative 3D body pose. By conditioning on kinematic pose trajectories, structured by the joint hierarchy of the body, our model learns to simulate how physical human actions shape the environment from a first-person point of view. We train an auto-regressive conditional diffusion transformer on Nymeria, a large-scale dataset of real-world egocentric video and body pose capture. We further design a hierarchical evaluation protocol with increasingly challenging tasks, enabling a comprehensive analysis of the model's embodied prediction and control abilities. Our work represents an initial attempt to tackle the challenges of modeling complex real-world environments and embodied agent behaviors with video prediction from the perspective of a human.
comment: Project Page: https://dannytran123.github.io/PEVA
☆ SiM3D: Single-instance Multiview Multimodal and Multisetup 3D Anomaly Detection Benchmark
We propose SiM3D, the first benchmark considering the integration of multiview and multimodal information for comprehensive 3D anomaly detection and segmentation (ADS), where the task is to produce a voxel-based Anomaly Volume. Moreover, SiM3D focuses on a scenario of high interest in manufacturing: single-instance anomaly detection, where only one object, either real or synthetic, is available for training. In this respect, SiM3D stands out as the first ADS benchmark that addresses the challenge of generalising from synthetic training data to real test data. SiM3D includes a novel multimodal multiview dataset acquired using top-tier industrial sensors and robots. The dataset features multiview high-resolution images (12 Mpx) and point clouds (7M points) for 333 instances of eight types of objects, alongside a CAD model for each type. We also provide manually annotated 3D segmentation GTs for anomalous test samples. To establish reference baselines for the proposed multiview 3D ADS task, we adapt prominent singleview methods and assess their performance using novel metrics that operate on Anomaly Volumes.
☆ SAM4D: Segment Anything in Camera and LiDAR Streams ICCV2025
We present SAM4D, a multi-modal and temporal foundation model designed for promptable segmentation across camera and LiDAR streams. Unified Multi-modal Positional Encoding (UMPE) is introduced to align camera and LiDAR features in a shared 3D space, enabling seamless cross-modal prompting and interaction. Additionally, we propose Motion-aware Cross-modal Memory Attention (MCMA), which leverages ego-motion compensation to enhance temporal consistency and long-horizon feature retrieval, ensuring robust segmentation across dynamically changing autonomous driving scenes. To avoid annotation bottlenecks, we develop a multi-modal automated data engine that synergizes VFM-driven video masklets, spatiotemporal 4D reconstruction, and cross-modal masklet fusion. This framework generates camera-LiDAR aligned pseudo-labels at a speed orders of magnitude faster than human annotation while preserving VFM-derived semantic fidelity in point cloud representations. We conduct extensive experiments on the constructed Waymo-4DSeg, which demonstrate the powerful cross-modal segmentation ability and great potential in data annotation of proposed SAM4D.
comment: Accepted by ICCV2025, Project Page: https://SAM4D-Project.github.io
☆ HalluSegBench: Counterfactual Visual Reasoning for Segmentation Hallucination Evaluation
Recent progress in vision-language segmentation has significantly advanced grounded visual understanding. However, these models often exhibit hallucinations by producing segmentation masks for objects not grounded in the image content or by incorrectly labeling irrelevant regions. Existing evaluation protocols for segmentation hallucination primarily focus on label or textual hallucinations without manipulating the visual context, limiting their capacity to diagnose critical failures. In response, we introduce HalluSegBench, the first benchmark specifically designed to evaluate hallucinations in visual grounding through the lens of counterfactual visual reasoning. Our benchmark consists of a novel dataset of 1340 counterfactual instance pairs spanning 281 unique object classes, and a set of newly introduced metrics that quantify hallucination sensitivity under visually coherent scene edits. Experiments on HalluSegBench with state-of-the-art vision-language segmentation models reveal that vision-driven hallucinations are significantly more prevalent than label-driven ones, with models often persisting in false segmentation, highlighting the need for counterfactual reasoning to diagnose grounding fidelity.
comment: Project webpage: https://plan-lab.github.io/hallusegbench/
☆ DeOcc-1-to-3: 3D De-Occlusion from a Single Image via Self-Supervised Multi-View Diffusion
Reconstructing 3D objects from a single image is a long-standing challenge, especially under real-world occlusions. While recent diffusion-based view synthesis models can generate consistent novel views from a single RGB image, they generally assume fully visible inputs and fail when parts of the object are occluded. This leads to inconsistent views and degraded 3D reconstruction quality. To overcome this limitation, we propose an end-to-end framework for occlusion-aware multi-view generation. Our method directly synthesizes six structurally consistent novel views from a single partially occluded image, enabling downstream 3D reconstruction without requiring prior inpainting or manual annotations. We construct a self-supervised training pipeline using the Pix2Gestalt dataset, leveraging occluded-unoccluded image pairs and pseudo-ground-truth views to teach the model structure-aware completion and view consistency. Without modifying the original architecture, we fully fine-tune the view synthesis model to jointly learn completion and multi-view generation. Additionally, we introduce the first benchmark for occlusion-aware reconstruction, encompassing diverse occlusion levels, object categories, and mask patterns. This benchmark provides a standardized protocol for evaluating future methods under partial occlusions. Our code is available at https://github.com/Quyans/DeOcc123.
☆ StruMamba3D: Exploring Structural Mamba for Self-supervised Point Cloud Representation Learning ICCV 2025
Recently, Mamba-based methods have demonstrated impressive performance in point cloud representation learning by leveraging State Space Model (SSM) with the efficient context modeling ability and linear complexity. However, these methods still face two key issues that limit the potential of SSM: Destroying the adjacency of 3D points during SSM processing and failing to retain long-sequence memory as the input length increases in downstream tasks. To address these issues, we propose StruMamba3D, a novel paradigm for self-supervised point cloud representation learning. It enjoys several merits. First, we design spatial states and use them as proxies to preserve spatial dependencies among points. Second, we enhance the SSM with a state-wise update strategy and incorporate a lightweight convolution to facilitate interactions between spatial states for efficient structure modeling. Third, our method reduces the sensitivity of pre-trained Mamba-based models to varying input lengths by introducing a sequence length-adaptive strategy. Experimental results across four downstream tasks showcase the superior performance of our method. In addition, our method attains the SOTA 95.1% accuracy on ModelNet40 and 92.75% accuracy on the most challenging split of ScanObjectNN without voting strategy.
comment: Accepted by ICCV 2025
☆ Maximal Matching Matters: Preventing Representation Collapse for Robust Cross-Modal Retrieval ACL 2025
Cross-modal image-text retrieval is challenging because of the diverse possible associations between content from different modalities. Traditional methods learn a single-vector embedding to represent semantics of each sample, but struggle to capture nuanced and diverse relationships that can exist across modalities. Set-based approaches, which represent each sample with multiple embeddings, offer a promising alternative, as they can capture richer and more diverse relationships. In this paper, we show that, despite their promise, these set-based representations continue to face issues including sparse supervision and set collapse, which limits their effectiveness. To address these challenges, we propose Maximal Pair Assignment Similarity to optimize one-to-one matching between embedding sets which preserve semantic diversity within the set. We also introduce two loss functions to further enhance the representations: Global Discriminative Loss to enhance distinction among embeddings, and Intra-Set Divergence Loss to prevent collapse within each set. Our method achieves state-of-the-art performance on MS-COCO and Flickr30k without relying on external data.
comment: Accepted at the 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025 Main)
☆ ResQ: A Novel Framework to Implement Residual Neural Networks on Analog Rydberg Atom Quantum Computers ICCV
Research in quantum machine learning has recently proliferated due to the potential of quantum computing to accelerate machine learning. An area of machine learning that has not yet been explored is neural ordinary differential equation (neural ODE) based residual neural networks (ResNets), which aim to improve the effectiveness of neural networks using the principles of ordinary differential equations. In this work, we present our insights about why analog Rydberg atom quantum computers are especially well-suited for ResNets. We also introduce ResQ, a novel framework to optimize the dynamics of Rydberg atom quantum computers to solve classification problems in machine learning using analog quantum neural ODEs.
comment: ResQ will appear in the Proceedings of the IEEE International Conference on Computer Vision (ICCV), 2025
☆ Exploring the Design Space of 3D MLLMs for CT Report Generation
Multimodal Large Language Models (MLLMs) have emerged as a promising way to automate Radiology Report Generation (RRG). In this work, we systematically investigate the design space of 3D MLLMs, including visual input representation, projectors, Large Language Models (LLMs), and fine-tuning techniques for 3D CT report generation. We also introduce two knowledge-based report augmentation methods that improve performance on the GREEN score by up to 10\%, achieving the 2nd place on the MICCAI 2024 AMOS-MM challenge. Our results on the 1,687 cases from the AMOS-MM dataset show that RRG is largely independent of the size of LLM under the same training protocol. We also show that larger volume size does not always improve performance if the original ViT was pre-trained on a smaller volume size. Lastly, we show that using a segmentation mask along with the CT volume improves performance. The code is publicly available at https://github.com/bowang-lab/AMOS-MM-Solution
☆ WAFT: Warping-Alone Field Transforms for Optical Flow
We introduce Warping-Alone Field Transforms (WAFT), a simple and effective method for optical flow. WAFT is similar to RAFT but replaces cost volume with high-resolution warping, achieving better accuracy with lower memory cost. This design challenges the conventional wisdom that constructing cost volumes is necessary for strong performance. WAFT is a simple and flexible meta-architecture with minimal inductive biases and reliance on custom designs. Compared with existing methods, WAFT ranks 1st on Spring and KITTI benchmarks, achieves the best zero-shot generalization on KITTI, while being up to 4.1x faster than methods with similar performance. Code and model weights are available at https://github.com/princeton-vl/WAFT.
☆ MADrive: Memory-Augmented Driving Scene Modeling
Recent advances in scene reconstruction have pushed toward highly realistic modeling of autonomous driving (AD) environments using 3D Gaussian splatting. However, the resulting reconstructions remain closely tied to the original observations and struggle to support photorealistic synthesis of significantly altered or novel driving scenarios. This work introduces MADrive, a memory-augmented reconstruction framework designed to extend the capabilities of existing scene reconstruction methods by replacing observed vehicles with visually similar 3D assets retrieved from a large-scale external memory bank. Specifically, we release MAD-Cars, a curated dataset of ${\sim}70$K 360{\deg} car videos captured in the wild and present a retrieval module that finds the most similar car instances in the memory bank, reconstructs the corresponding 3D assets from video, and integrates them into the target scene through orientation alignment and relighting. The resulting replacements provide complete multi-view representations of vehicles in the scene, enabling photorealistic synthesis of substantially altered configurations, as demonstrated in our experiments. Project page: https://yandex-research.github.io/madrive/
☆ G$^{2}$D: Boosting Multimodal Learning with Gradient-Guided Distillation ICCV 2025
Multimodal learning aims to leverage information from diverse data modalities to achieve more comprehensive performance. However, conventional multimodal models often suffer from modality imbalance, where one or a few modalities dominate model optimization, leading to suboptimal feature representation and underutilization of weak modalities. To address this challenge, we introduce Gradient-Guided Distillation (G$^{2}$D), a knowledge distillation framework that optimizes the multimodal model with a custom-built loss function that fuses both unimodal and multimodal objectives. G$^{2}$D further incorporates a dynamic sequential modality prioritization (SMP) technique in the learning process to ensure each modality leads the learning process, avoiding the pitfall of stronger modalities overshadowing weaker ones. We validate G$^{2}$D on multiple real-world datasets and show that G$^{2}$D amplifies the significance of weak modalities while training and outperforms state-of-the-art methods in classification and regression tasks. Our code is available at https://github.com/rAIson-Lab/G2D.
comment: Accepted at ICCV 2025
☆ GGTalker: Talking Head Systhesis with Generalizable Gaussian Priors and Identity-Specific Adaptation ICCV 2025
Creating high-quality, generalizable speech-driven 3D talking heads remains a persistent challenge. Previous methods achieve satisfactory results for fixed viewpoints and small-scale audio variations, but they struggle with large head rotations and out-of-distribution (OOD) audio. Moreover, they are constrained by the need for time-consuming, identity-specific training. We believe the core issue lies in the lack of sufficient 3D priors, which limits the extrapolation capabilities of synthesized talking heads. To address this, we propose GGTalker, which synthesizes talking heads through a combination of generalizable priors and identity-specific adaptation. We introduce a two-stage Prior-Adaptation training strategy to learn Gaussian head priors and adapt to individual characteristics. We train Audio-Expression and Expression-Visual priors to capture the universal patterns of lip movements and the general distribution of head textures. During the Customized Adaptation, individual speaking styles and texture details are precisely modeled. Additionally, we introduce a color MLP to generate fine-grained, motion-aligned textures and a Body Inpainter to blend rendered results with the background, producing indistinguishable, photorealistic video frames. Comprehensive experiments show that GGTalker achieves state-of-the-art performance in rendering quality, 3D consistency, lip-sync accuracy, and training efficiency.
comment: ICCV 2025, Project page: https://vincenthu19.github.io/GGTalker/
☆ Mitigating Hallucination of Large Vision-Language Models via Dynamic Logits Calibration
Large Vision-Language Models (LVLMs) have demonstrated significant advancements in multimodal understanding, yet they are frequently hampered by hallucination-the generation of text that contradicts visual input. Existing training-free decoding strategies exhibit critical limitations, including the use of static constraints that do not adapt to semantic drift during generation, inefficiency stemming from the need for multiple forward passes, and degradation of detail due to overly rigid intervention rules. To overcome these challenges, this paper introduces Dynamic Logits Calibration (DLC), a novel training-free decoding framework designed to dynamically align text generation with visual evidence at inference time. At the decoding phase, DLC step-wise employs CLIP to assess the semantic alignment between the input image and the generated text sequence. Then, the Relative Visual Advantage (RVA) of candidate tokens is evaluated against a dynamically updated contextual baseline, adaptively adjusting output logits to favor tokens that are visually grounded. Furthermore, an adaptive weighting mechanism, informed by a real-time context alignment score, carefully balances the visual guidance while ensuring the overall quality of the textual output. Extensive experiments conducted across diverse benchmarks and various LVLM architectures (such as LLaVA, InstructBLIP, and MiniGPT-4) demonstrate that DLC significantly reduces hallucinations, outperforming current methods while maintaining high inference efficiency by avoiding multiple forward passes. Overall, we present an effective and efficient decoding-time solution to mitigate hallucinations, thereby enhancing the reliability of LVLMs for more practices. Code will be released on Github.
☆ Lightweight Physics-Informed Zero-Shot Ultrasound Plane Wave Denoising
Ultrasound Coherent Plane Wave Compounding (CPWC) enhances image contrast by combining echoes from multiple steered transmissions. While increasing the number of angles generally improves image quality, it drastically reduces the frame rate and can introduce blurring artifacts in fast-moving targets. Moreover, compounded images remain susceptible to noise, particularly when acquired with a limited number of transmissions. We propose a zero-shot denoising framework tailored for low-angle CPWC acquisitions, which enhances contrast without relying on a separate training dataset. The method divides the available transmission angles into two disjoint subsets, each used to form compound images that include higher noise levels. The new compounded images are then used to train a deep model via a self-supervised residual learning scheme, enabling it to suppress incoherent noise while preserving anatomical structures. Because angle-dependent artifacts vary between the subsets while the underlying tissue response is similar, this physics-informed pairing allows the network to learn to disentangle the inconsistent artifacts from the consistent tissue signal. Unlike supervised methods, our model requires no domain-specific fine-tuning or paired data, making it adaptable across anatomical regions and acquisition setups. The entire pipeline supports efficient training with low computational cost due to the use of a lightweight architecture, which comprises only two convolutional layers. Evaluations on simulation, phantom, and in vivo data demonstrate superior contrast enhancement and structure preservation compared to both classical and deep learning-based denoising methods.
☆ Towards Reliable Detection of Empty Space: Conditional Marked Point Processes for Object Detection
Deep neural networks have set the state-of-the-art in computer vision tasks such as bounding box detection and semantic segmentation. Object detectors and segmentation models assign confidence scores to predictions, reflecting the model's uncertainty in object detection or pixel-wise classification. However, these confidence estimates are often miscalibrated, as their architectures and loss functions are tailored to task performance rather than probabilistic foundation. Even with well calibrated predictions, object detectors fail to quantify uncertainty outside detected bounding boxes, i.e., the model does not make a probability assessment of whether an area without detected objects is truly free of obstacles. This poses a safety risk in applications such as automated driving, where uncertainty in empty areas remains unexplored. In this work, we propose an object detection model grounded in spatial statistics. Bounding box data matches realizations of a marked point process, commonly used to describe the probabilistic occurrence of spatial point events identified as bounding box centers, where marks are used to describe the spatial extension of bounding boxes and classes. Our statistical framework enables a likelihood-based training and provides well-defined confidence estimates for whether a region is drivable, i.e., free of objects. We demonstrate the effectiveness of our method through calibration assessments and evaluation of performance.
comment: 15 pages, 4 figures, 3 tables
☆ TITAN: Query-Token based Domain Adaptive Adversarial Learning ICCV 2025
We focus on the source-free domain adaptive object detection (SF-DAOD) problem when source data is unavailable during adaptation and the model must adapt to an unlabeled target domain. The majority of approaches for the problem employ a self-supervised approach using a student-teacher (ST) framework where pseudo-labels are generated via a source-pretrained model for further fine-tuning. We observe that the performance of a student model often degrades drastically, due to the collapse of the teacher model, primarily caused by high noise in pseudo-labels, resulting from domain bias, discrepancies, and a significant domain shift across domains. To obtain reliable pseudo-labels, we propose a Target-based Iterative Query-Token Adversarial Network (TITAN), which separates the target images into two subsets: those similar to the source (easy) and those dissimilar (hard). We propose a strategy to estimate variance to partition the target domain. This approach leverages the insight that higher detection variances correspond to higher recall and greater similarity to the source domain. Also, we incorporate query-token-based adversarial modules into a student-teacher baseline framework to reduce the domain gaps between two feature representations. Experiments conducted on four natural imaging datasets and two challenging medical datasets have substantiated the superior performance of TITAN compared to existing state-of-the-art (SOTA) methodologies. We report an mAP improvement of +22.7, +22.2, +21.1, and +3.7 percent over the current SOTA on C2F, C2B, S2C, and K2C benchmarks, respectively.
comment: ICCV 2025
☆ Global and Local Entailment Learning for Natural World Imagery ICCV 2025
Learning the hierarchical structure of data in vision-language models is a significant challenge. Previous works have attempted to address this challenge by employing entailment learning. However, these approaches fail to model the transitive nature of entailment explicitly, which establishes the relationship between order and semantics within a representation space. In this work, we introduce Radial Cross-Modal Embeddings (RCME), a framework that enables the explicit modeling of transitivity-enforced entailment. Our proposed framework optimizes for the partial order of concepts within vision-language models. By leveraging our framework, we develop a hierarchical vision-language foundation model capable of representing the hierarchy in the Tree of Life. Our experiments on hierarchical species classification and hierarchical retrieval tasks demonstrate the enhanced performance of our models compared to the existing state-of-the-art models. Our code and models are open-sourced at https://vishu26.github.io/RCME/index.html.
comment: Accepted at ICCV 2025
☆ Logios : An open source Greek Polytonic Optical Character Recognition system
In this paper, we present an Optical Character Recognition (OCR) system specifically designed for the accurate recognition and digitization of Greek polytonic texts. By leveraging the combined strengths of convolutional layers for feature extraction and recurrent layers for sequence learning, our system addresses the unique challenges posed by Greek polytonic scripts. This approach aims to overcome the limitations of traditional OCR methods, offering significant improvements in accuracy and efficiency. We release the underlying model as an open-source library and make our OCR platform available for academic use.
☆ Evaluation of Traffic Signals for Daily Traffic Pattern
The turning movement count data is crucial for traffic signal design, intersection geometry planning, traffic flow, and congestion analysis. This work proposes three methods called dynamic, static, and hybrid configuration for TMC-based traffic signals. A vision-based tracking system is developed to estimate the TMC of six intersections in Las Vegas using traffic cameras. The intersection design, route (e.g. vehicle movement directions), and signal configuration files with compatible formats are synthesized and imported into Simulation of Urban MObility for signal evaluation with realistic data. The initial experimental results based on estimated waiting times indicate that the cycle time of 90 and 120 seconds works best for all intersections. In addition, four intersections show better performance for dynamic signal timing configuration, and the other two with lower performance have a lower ratio of total vehicle count to total lanes of the intersection leg. Since daily traffic flow often exhibits a bimodal pattern, we propose a hybrid signal method that switches between dynamic and static methods, adapting to peak and off-peak traffic conditions for improved flow management. So, a built-in traffic generator module creates vehicle routes for 4 hours, including peak hours, and a signal design module produces signal schedule cycles according to static, dynamic, and hybrid methods. Vehicle count distributions are weighted differently for each zone (i.e., West, North, East, South) to generate diverse traffic patterns. The extended experimental results for 6 intersections with 4 hours of simulation time imply that zone-based traffic pattern distributions affect signal design selection. Although the static method works great for evenly zone-based traffic distribution, the hybrid method works well for highly weighted traffic at intersection pairs of the West-East and North-South zones.
☆ Spatial Mental Modeling from Limited Views
Can Vision Language Models (VLMs) imagine the full scene from just a few views, like humans do? Humans form spatial mental models, internal representations of unseen space, to reason about layout, perspective, and motion. Our new MindCube benchmark with 21,154 questions across 3,268 images exposes this critical gap, where existing VLMs exhibit near-random performance. Using MindCube, we systematically evaluate how well VLMs build robust spatial mental models through representing positions (cognitive mapping), orientations (perspective-taking), and dynamics (mental simulation for "what-if" movements). We then explore three approaches to help VLMs approximate spatial mental models, including unseen intermediate views, natural language reasoning chains, and cognitive maps. The significant improvement comes from a synergistic approach, "map-then-reason", that jointly trains the model to first generate a cognitive map and then reason upon it. By training models to reason over these internal maps, we boosted accuracy from 37.8% to 60.8% (+23.0%). Adding reinforcement learning pushed performance even further to 70.7% (+32.9%). Our key insight is that such scaffolding of spatial mental models, actively constructing and utilizing internal structured spatial representations with flexible reasoning processes, significantly improves understanding of unobservable space.
comment: Preprint version
☆ Rethinking Oversaturation in Classifier-Free Guidance via Low Frequency
Classifier-free guidance (CFG) succeeds in condition diffusion models that use a guidance scale to balance the influence of conditional and unconditional terms. A high guidance scale is used to enhance the performance of the conditional term. However, the high guidance scale often results in oversaturation and unrealistic artifacts. In this paper, we introduce a new perspective based on low-frequency signals, identifying the accumulation of redundant information in these signals as the key factor behind oversaturation and unrealistic artifacts. Building on this insight, we propose low-frequency improved classifier-free guidance (LF-CFG) to mitigate these issues. Specifically, we introduce an adaptive threshold-based measurement to pinpoint the locations of redundant information. We determine a reasonable threshold by analyzing the change rate of low-frequency information between prior and current steps. We then apply a down-weight strategy to reduce the impact of redundant information in the low-frequency signals. Experimental results demonstrate that LF-CFG effectively alleviates oversaturation and unrealistic artifacts across various diffusion models, including Stable Diffusion-XL, Stable Diffusion 2.1, 3.0, 3.5, and SiT-XL.
☆ A Comprehensive Dataset for Underground Miner Detection in Diverse Scenario
Underground mining operations face significant safety challenges that make emergency response capabilities crucial. While robots have shown promise in assisting with search and rescue operations, their effectiveness depends on reliable miner detection capabilities. Deep learning algorithms offer potential solutions for automated miner detection, but require comprehensive training datasets, which are currently lacking for underground mining environments. This paper presents a novel thermal imaging dataset specifically designed to enable the development and validation of miner detection systems for potential emergency applications. We systematically captured thermal imagery of various mining activities and scenarios to create a robust foundation for detection algorithms. To establish baseline performance metrics, we evaluated several state-of-the-art object detection algorithms including YOLOv8, YOLOv10, YOLO11, and RT-DETR on our dataset. While not exhaustive of all possible emergency situations, this dataset serves as a crucial first step toward developing reliable thermal-based miner detection systems that could eventually be deployed in real emergency scenarios. This work demonstrates the feasibility of using thermal imaging for miner detection and establishes a foundation for future research in this critical safety application.
☆ ThinkSound: Chain-of-Thought Reasoning in Multimodal Large Language Models for Audio Generation and Editing
While end-to-end video-to-audio generation has greatly improved, producing high-fidelity audio that authentically captures the nuances of visual content remains challenging. Like professionals in the creative industries, such generation requires sophisticated reasoning about items such as visual dynamics, acoustic environments, and temporal relationships. We present \textbf{ThinkSound}, a novel framework that leverages Chain-of-Thought (CoT) reasoning to enable stepwise, interactive audio generation and editing for videos. Our approach decomposes the process into three complementary stages: foundational foley generation that creates semantically coherent soundscapes, interactive object-centric refinement through precise user interactions, and targeted editing guided by natural language instructions. At each stage, a multimodal large language model generates contextually aligned CoT reasoning that guides a unified audio foundation model. Furthermore, we introduce \textbf{AudioCoT}, a comprehensive dataset with structured reasoning annotations that establishes connections between visual content, textual descriptions, and sound synthesis. Experiments demonstrate that ThinkSound achieves state-of-the-art performance in video-to-audio generation across both audio metrics and CoT metrics and excels in out-of-distribution Movie Gen Audio benchmark. The demo page is available at https://ThinkSound-Demo.github.io.
☆ Controllable 3D Placement of Objects with Scene-Aware Diffusion Models
Image editing approaches have become more powerful and flexible with the advent of powerful text-conditioned generative models. However, placing objects in an environment with a precise location and orientation still remains a challenge, as this typically requires carefully crafted inpainting masks or prompts. In this work, we show that a carefully designed visual map, combined with coarse object masks, is sufficient for high quality object placement. We design a conditioning signal that resolves ambiguities, while being flexible enough to allow for changing of shapes or object orientations. By building on an inpainting model, we leave the background intact by design, in contrast to methods that model objects and background jointly. We demonstrate the effectiveness of our method in the automotive setting, where we compare different conditioning signals in novel object placement tasks. These tasks are designed to measure edit quality not only in terms of appearance, but also in terms of pose and location accuracy, including cases that require non-trivial shape changes. Lastly, we show that fine location control can be combined with appearance control to place existing objects in precise locations in a scene.
☆ Benchmarking Deep Learning and Vision Foundation Models for Atypical vs. Normal Mitosis Classification with Cross-Dataset Evaluation
Atypical mitoses mark a deviation in the cell division process that can be an independent prognostically relevant marker for tumor malignancy. However, their identification remains challenging due to low prevalence, at times subtle morphological differences from normal mitoses, low inter-rater agreement among pathologists, and class imbalance in datasets. Building on the Atypical Mitosis dataset for Breast Cancer (AMi-Br), this study presents a comprehensive benchmark comparing deep learning approaches for automated atypical mitotic figure (AMF) classification, including baseline models, foundation models with linear probing, and foundation models fine-tuned with low-rank adaptation (LoRA). For rigorous evaluation, we further introduce two new hold-out AMF datasets - AtNorM-Br, a dataset of mitoses from the The TCGA breast cancer cohort, and AtNorM-MD, a multi-domain dataset of mitoses from the MIDOG++ training set. We found average balanced accuracy values of up to 0.8135, 0.7696, and 0.7705 on the in-domain AMi-Br and the out-of-domain AtNorm-Br and AtNorM-MD datasets, respectively, with the results being particularly good for LoRA-based adaptation of the Virchow-line of foundation models. Our work shows that atypical mitosis classification, while being a challenging problem, can be effectively addressed through the use of recent advances in transfer learning and model fine-tuning techniques. We make available all code and data used in this paper in this github repository: https://github.com/DeepMicroscopy/AMi-Br_Benchmark.
☆ HyperSORT: Self-Organising Robust Training with hyper-networks MICCAI 2025
Medical imaging datasets often contain heterogeneous biases ranging from erroneous labels to inconsistent labeling styles. Such biases can negatively impact deep segmentation networks performance. Yet, the identification and characterization of such biases is a particularly tedious and challenging task. In this paper, we introduce HyperSORT, a framework using a hyper-network predicting UNets' parameters from latent vectors representing both the image and annotation variability. The hyper-network parameters and the latent vector collection corresponding to each data sample from the training set are jointly learned. Hence, instead of optimizing a single neural network to fit a dataset, HyperSORT learns a complex distribution of UNet parameters where low density areas can capture noise-specific patterns while larger modes robustly segment organs in differentiated but meaningful manners. We validate our method on two 3D abdominal CT public datasets: first a synthetically perturbed version of the AMOS dataset, and TotalSegmentator, a large scale dataset containing real unknown biases and errors. Our experiments show that HyperSORT creates a structured mapping of the dataset allowing the identification of relevant systematic biases and erroneous samples. Latent space clusters yield UNet parameters performing the segmentation task in accordance with the underlying learned systematic bias. The code and our analysis of the TotalSegmentator dataset are made available: https://github.com/ImFusionGmbH/HyperSORT
comment: Accepted at MICCAI 2025
☆ EndoFlow-SLAM: Real-Time Endoscopic SLAM with Flow-Constrained Gaussian Splatting
Efficient three-dimensional reconstruction and real-time visualization are critical in surgical scenarios such as endoscopy. In recent years, 3D Gaussian Splatting (3DGS) has demonstrated remarkable performance in efficient 3D reconstruction and rendering. Most 3DGS-based Simultaneous Localization and Mapping (SLAM) methods only rely on the appearance constraints for optimizing both 3DGS and camera poses. However, in endoscopic scenarios, the challenges include photometric inconsistencies caused by non-Lambertian surfaces and dynamic motion from breathing affects the performance of SLAM systems. To address these issues, we additionally introduce optical flow loss as a geometric constraint, which effectively constrains both the 3D structure of the scene and the camera motion. Furthermore, we propose a depth regularisation strategy to mitigate the problem of photometric inconsistencies and ensure the validity of 3DGS depth rendering in endoscopic scenes. In addition, to improve scene representation in the SLAM system, we improve the 3DGS refinement strategy by focusing on viewpoints corresponding to Keyframes with suboptimal rendering quality frames, achieving better rendering results. Extensive experiments on the C3VD static dataset and the StereoMIS dynamic dataset demonstrate that our method outperforms existing state-of-the-art methods in novel view synthesis and pose estimation, exhibiting high performance in both static and dynamic surgical scenes. The source code will be publicly available upon paper acceptance.
☆ XVerse: Consistent Multi-Subject Control of Identity and Semantic Attributes via DiT Modulation
Achieving fine-grained control over subject identity and semantic attributes (pose, style, lighting) in text-to-image generation, particularly for multiple subjects, often undermines the editability and coherence of Diffusion Transformers (DiTs). Many approaches introduce artifacts or suffer from attribute entanglement. To overcome these challenges, we propose a novel multi-subject controlled generation model XVerse. By transforming reference images into offsets for token-specific text-stream modulation, XVerse allows for precise and independent control for specific subject without disrupting image latents or features. Consequently, XVerse offers high-fidelity, editable multi-subject image synthesis with robust control over individual subject characteristics and semantic attributes. This advancement significantly improves personalized and complex scene generation capabilities.
comment: Project Page: https://bytedance.github.io/XVerse Github Link: https://github.com/bytedance/XVerse
☆ Curve-Aware Gaussian Splatting for 3D Parametric Curve Reconstruction ICCV 2025
This paper presents an end-to-end framework for reconstructing 3D parametric curves directly from multi-view edge maps. Contrasting with existing two-stage methods that follow a sequential ``edge point cloud reconstruction and parametric curve fitting'' pipeline, our one-stage approach optimizes 3D parametric curves directly from 2D edge maps, eliminating error accumulation caused by the inherent optimization gap between disconnected stages. However, parametric curves inherently lack suitability for rendering-based multi-view optimization, necessitating a complementary representation that preserves their geometric properties while enabling differentiable rendering. We propose a novel bi-directional coupling mechanism between parametric curves and edge-oriented Gaussian components. This tight correspondence formulates a curve-aware Gaussian representation, \textbf{CurveGaussian}, that enables differentiable rendering of 3D curves, allowing direct optimization guided by multi-view evidence. Furthermore, we introduce a dynamically adaptive topology optimization framework during training to refine curve structures through linearization, merging, splitting, and pruning operations. Comprehensive evaluations on the ABC dataset and real-world benchmarks demonstrate our one-stage method's superiority over two-stage alternatives, particularly in producing cleaner and more robust reconstructions. Additionally, by directly optimizing parametric curves, our method significantly reduces the parameter count during training, achieving both higher efficiency and superior performance compared to existing approaches.
comment: Code: https://github.com/zhirui-gao/Curve-Gaussian Accepted by ICCV 2025
☆ FastRef:Fast Prototype Refinement for Few-Shot Industrial Anomaly Detection
Few-shot industrial anomaly detection (FS-IAD) presents a critical challenge for practical automated inspection systems operating in data-scarce environments. While existing approaches predominantly focus on deriving prototypes from limited normal samples, they typically neglect to systematically incorporate query image statistics to enhance prototype representativeness. To address this issue, we propose FastRef, a novel and efficient prototype refinement framework for FS-IAD. Our method operates through an iterative two-stage process: (1) characteristic transfer from query features to prototypes via an optimizable transformation matrix, and (2) anomaly suppression through prototype alignment. The characteristic transfer is achieved through linear reconstruction of query features from prototypes, while the anomaly suppression addresses a key observation in FS-IAD that unlike conventional IAD with abundant normal prototypes, the limited-sample setting makes anomaly reconstruction more probable. Therefore, we employ optimal transport (OT) for non-Gaussian sampled features to measure and minimize the gap between prototypes and their refined counterparts for anomaly suppression. For comprehensive evaluation, we integrate FastRef with three competitive prototype-based FS-IAD methods: PatchCore, FastRecon, WinCLIP, and AnomalyDINO. Extensive experiments across four benchmark datasets of MVTec, ViSA, MPDD and RealIAD demonstrate both the effectiveness and computational efficiency of our approach under 1/2/4-shots.
comment: 18pages, 7figures, 6tables
☆ GenFlow: Interactive Modular System for Image Generation
Generative art unlocks boundless creative possibilities, yet its full potential remains untapped due to the technical expertise required for advanced architectural concepts and computational workflows. To bridge this gap, we present GenFlow, a novel modular framework that empowers users of all skill levels to generate images with precision and ease. Featuring a node-based editor for seamless customization and an intelligent assistant powered by natural language processing, GenFlow transforms the complexity of workflow creation into an intuitive and accessible experience. By automating deployment processes and minimizing technical barriers, our framework makes cutting-edge generative art tools available to everyone. A user study demonstrated GenFlow's ability to optimize workflows, reduce task completion times, and enhance user understanding through its intuitive interface and adaptive features. These results position GenFlow as a groundbreaking solution that redefines accessibility and efficiency in the realm of generative art.
☆ CA-I2P: Channel-Adaptive Registration Network with Global Optimal Selection ICCV 2025
Detection-free methods typically follow a coarse-to-fine pipeline, extracting image and point cloud features for patch-level matching and refining dense pixel-to-point correspondences. However, differences in feature channel attention between images and point clouds may lead to degraded matching results, ultimately impairing registration accuracy. Furthermore, similar structures in the scene could lead to redundant correspondences in cross-modal matching. To address these issues, we propose Channel Adaptive Adjustment Module (CAA) and Global Optimal Selection Module (GOS). CAA enhances intra-modal features and suppresses cross-modal sensitivity, while GOS replaces local selection with global optimization. Experiments on RGB-D Scenes V2 and 7-Scenes demonstrate the superiority of our method, achieving state-of-the-art performance in image-to-point cloud registration.
comment: ICCV 2025 accepted
☆ ToosiCubix: Monocular 3D Cuboid Labeling via Vehicle Part Annotations
Many existing methods for 3D cuboid annotation of vehicles rely on expensive and carefully calibrated camera-LiDAR or stereo setups, limiting their accessibility for large-scale data collection. We introduce ToosiCubix, a simple yet powerful approach for annotating ground-truth cuboids using only monocular images and intrinsic camera parameters. Our method requires only about 10 user clicks per vehicle, making it highly practical for adding 3D annotations to existing datasets originally collected without specialized equipment. By annotating specific features (e.g., wheels, car badge, symmetries) across different vehicle parts, we accurately estimate each vehicle's position, orientation, and dimensions up to a scale ambiguity (8 DoF). The geometric constraints are formulated as an optimization problem, which we solve using a coordinate descent strategy, alternating between Perspective-n-Points (PnP) and least-squares subproblems. To handle common ambiguities such as scale and unobserved dimensions, we incorporate probabilistic size priors, enabling 9 DoF cuboid placements. We validate our annotations against the KITTI and Cityscapes3D datasets, demonstrating that our method offers a cost-effective and scalable solution for high-quality 3D cuboid annotation.
☆ CoPa-SG: Dense Scene Graphs with Parametric and Proto-Relations
2D scene graphs provide a structural and explainable framework for scene understanding. However, current work still struggles with the lack of accurate scene graph data. To overcome this data bottleneck, we present CoPa-SG, a synthetic scene graph dataset with highly precise ground truth and exhaustive relation annotations between all objects. Moreover, we introduce parametric and proto-relations, two new fundamental concepts for scene graphs. The former provides a much more fine-grained representation than its traditional counterpart by enriching relations with additional parameters such as angles or distances. The latter encodes hypothetical relations in a scene graph and describes how relations would form if new objects are placed in the scene. Using CoPa-SG, we compare the performance of various scene graph generation models. We demonstrate how our new relation types can be integrated in downstream applications to enhance planning and reasoning capabilities.
☆ ShotBench: Expert-Level Cinematic Understanding in Vision-Language Models
Cinematography, the fundamental visual language of film, is essential for conveying narrative, emotion, and aesthetic quality. While recent Vision-Language Models (VLMs) demonstrate strong general visual understanding, their proficiency in comprehending the nuanced cinematic grammar embedded within individual shots remains largely unexplored and lacks robust evaluation. This critical gap limits both fine-grained visual comprehension and the precision of AI-assisted video generation. To address this, we introduce \textbf{ShotBench}, a comprehensive benchmark specifically designed for cinematic language understanding. It features over 3.5k expert-annotated QA pairs from images and video clips, meticulously curated from over 200 acclaimed (predominantly Oscar-nominated) films and spanning eight key cinematography dimensions. Our evaluation of 24 leading VLMs on ShotBench reveals their substantial limitations: even the top-performing model achieves less than 60\% average accuracy, particularly struggling with fine-grained visual cues and complex spatial reasoning. To catalyze advancement in this domain, we construct \textbf{ShotQA}, a large-scale multimodal dataset comprising approximately 70k cinematic QA pairs. Leveraging ShotQA, we develop \textbf{ShotVL} through supervised fine-tuning and Group Relative Policy Optimization. ShotVL significantly outperforms all existing open-source and proprietary models on ShotBench, establishing new \textbf{state-of-the-art} performance. We open-source our models, data, and code to foster rapid progress in this crucial area of AI-driven cinematic understanding and generation.
☆ Generalizable Neural Electromagnetic Inverse Scattering
Solving Electromagnetic Inverse Scattering Problems (EISP) is fundamental in applications such as medical imaging, where the goal is to reconstruct the relative permittivity from scattered electromagnetic field. This inverse process is inherently ill-posed and highly nonlinear, making it particularly challenging. A recent machine learning-based approach, Img-Interiors, shows promising results by leveraging continuous implicit functions. However, it requires case-specific optimization, lacks generalization to unseen data, and fails under sparse transmitter setups (e.g., with only one transmitter). To address these limitations, we revisit EISP from a physics-informed perspective, reformulating it as a two stage inverse transmission-scattering process. This formulation reveals the induced current as a generalizable intermediate representation, effectively decoupling the nonlinear scattering process from the ill-posed inverse problem. Built on this insight, we propose the first generalizable physics-driven framework for EISP, comprising a current estimator and a permittivity solver, working in an end-to-end manner. The current estimator explicitly learns the induced current as a physical bridge between the incident and scattered field, while the permittivity solver computes the relative permittivity directly from the estimated induced current. This design enables data-driven training and generalizable feed-forward prediction of relative permittivity on unseen data while maintaining strong robustness to transmitter sparsity. Extensive experiments show that our method outperforms state-of-the-art approaches in reconstruction accuracy, generalization, and robustness. This work offers a fundamentally new perspective on electromagnetic inverse scattering and represents a major step toward cost-effective practical solutions for electromagnetic imaging.
☆ PanSt3R: Multi-view Consistent Panoptic Segmentation ICCV 2025
Panoptic segmentation of 3D scenes, involving the segmentation and classification of object instances in a dense 3D reconstruction of a scene, is a challenging problem, especially when relying solely on unposed 2D images. Existing approaches typically leverage off-the-shelf models to extract per-frame 2D panoptic segmentations, before optimizing an implicit geometric representation (often based on NeRF) to integrate and fuse the 2D predictions. We argue that relying on 2D panoptic segmentation for a problem inherently 3D and multi-view is likely suboptimal as it fails to leverage the full potential of spatial relationships across views. In addition to requiring camera parameters, these approaches also necessitate computationally expensive test-time optimization for each scene. Instead, in this work, we propose a unified and integrated approach PanSt3R, which eliminates the need for test-time optimization by jointly predicting 3D geometry and multi-view panoptic segmentation in a single forward pass. Our approach builds upon recent advances in 3D reconstruction, specifically upon MUSt3R, a scalable multi-view version of DUSt3R, and enhances it with semantic awareness and multi-view panoptic segmentation capabilities. We additionally revisit the standard post-processing mask merging procedure and introduce a more principled approach for multi-view segmentation. We also introduce a simple method for generating novel-view predictions based on the predictions of PanSt3R and vanilla 3DGS. Overall, the proposed PanSt3R is conceptually simple, yet fast and scalable, and achieves state-of-the-art performance on several benchmarks, while being orders of magnitude faster than existing methods.
comment: Accepted at ICCV 2025
☆ Automatic Reviewers Assignment to a Research Paper Based on Allied References and Publications Weight
Everyday, a vast stream of research documents is submitted to conferences, anthologies, journals, newsletters, annual reports, daily papers, and various periodicals. Many such publications use independent external specialists to review submissions. This process is called peer review, and the reviewers are called referees. However, it is not always possible to pick the best referee for reviewing. Moreover, new research fields are emerging in every sector, and the number of research papers is increasing dramatically. To review all these papers, every journal assigns a small team of referees who may not be experts in all areas. For example, a research paper in communication technology should be reviewed by an expert from the same field. Thus, efficiently selecting the best reviewer or referee for a research paper is a big challenge. In this research, we propose and implement program that uses a new strategy to automatically select the best reviewers for a research paper. Every research paper contains references at the end, usually from the same area. First, we collect the references and count authors who have at least one paper in the references. Then, we automatically browse the web to extract research topic keywords. Next, we search for top researchers in the specific topic and count their h-index, i10-index, and citations for the first n authors. Afterward, we rank the top n authors based on a score and automatically browse their homepages to retrieve email addresses. We also check their co-authors and colleagues online and discard them from the list. The remaining top n authors, generally professors, are likely the best referees for reviewing the research paper.
comment: IEEE Conference Proceedings (5 Pages)
☆ Holistic Surgical Phase Recognition with Hierarchical Input Dependent State Space Models
Surgical workflow analysis is essential in robot-assisted surgeries, yet the long duration of such procedures poses significant challenges for comprehensive video analysis. Recent approaches have predominantly relied on transformer models; however, their quadratic attention mechanism restricts efficient processing of lengthy surgical videos. In this paper, we propose a novel hierarchical input-dependent state space model that leverages the linear scaling property of state space models to enable decision making on full-length videos while capturing both local and global dynamics. Our framework incorporates a temporally consistent visual feature extractor, which appends a state space model head to a visual feature extractor to propagate temporal information. The proposed model consists of two key modules: a local-aggregation state space model block that effectively captures intricate local dynamics, and a global-relation state space model block that models temporal dependencies across the entire video. The model is trained using a hybrid discrete-continuous supervision strategy, where both signals of discrete phase labels and continuous phase progresses are propagated through the network. Experiments have shown that our method outperforms the current state-of-the-art methods by a large margin (+2.8% on Cholec80, +4.3% on MICCAI2016, and +12.9% on Heichole datasets). Code will be publicly available after paper acceptance.
☆ Multimodal LLMs for Visualization Reconstruction and Understanding
Visualizations are crucial for data communication, yet understanding them requires comprehension of both visual elements and their underlying data relationships. Current multimodal large models, while effective in natural image understanding, struggle with visualization due to their inability to decode the data-to-visual mapping rules and extract structured information. To address these challenges, we present a novel dataset and train multimodal visualization LLMs specifically designed for understanding. Our approach combines chart images with their corresponding vectorized representations, encoding schemes, and data features. The proposed vector format enables compact and accurate reconstruction of visualization content. Experimental results demonstrate significant improvements in both data extraction accuracy and chart reconstruction quality.
☆ LLaVA-Pose: Enhancing Human Pose and Action Understanding via Keypoint-Integrated Instruction Tuning
Current vision-language models (VLMs) are well-adapted for general visual understanding tasks. However, they perform inadequately when handling complex visual tasks related to human poses and actions due to the lack of specialized vision-language instruction-following data. We introduce a method for generating such data by integrating human keypoints with traditional visual features such as captions and bounding boxes, enabling more precise understanding of human-centric scenes. Our approach constructs a dataset comprising 200,328 samples tailored to fine-tune models for human-centric tasks, focusing on three areas: conversation, detailed description, and complex reasoning. We establish an Extended Human Pose and Action Understanding Benchmark (E-HPAUB) to assess model performance on human pose and action understanding. We fine-tune the LLaVA-1.5-7B model using this dataset and evaluate our resulting LLaVA-Pose model on the benchmark, achieving significant improvements. Experimental results show an overall improvement of 33.2% compared to the original LLaVA-1.5-7B model. These findings highlight the effectiveness of keypoint-integrated data in enhancing multimodal models for human-centric visual understanding. Code is available at https://github.com/Ody-trek/LLaVA-Pose.
comment: arXiv admin note: substantial text overlap with arXiv:2409.09306
☆ DrishtiKon: Multi-Granular Visual Grounding for Text-Rich Document Images
Visual grounding in text-rich document images is a critical yet underexplored challenge for document intelligence and visual question answering (VQA) systems. We present \drishtikon, a multi-granular visual grounding framework designed to enhance interpretability and trust in VQA for complex, multilingual documents. Our approach integrates robust multi-lingual OCR, large language models, and a novel region matching algorithm to accurately localize answer spans at block, line, word, and point levels. We curate a new benchmark from the CircularsVQA test set, providing fine-grained, human-verified annotations across multiple granularities. Extensive experiments demonstrate that our method achieves state-of-the-art grounding accuracy, with line-level granularity offering the best trade-off between precision and recall. Ablation studies further highlight the benefits of multi-block and multi-line reasoning. Comparative evaluations with leading vision-language models reveal the limitations of current VLMs in precise localization, underscoring the effectiveness of our structured, alignment-based approach. Our findings pave the way for more robust and interpretable document understanding systems in real-world, text-centric scenarios. Code and dataset has been made available at https://github.com/kasuba-badri-vishal/DhrishtiKon.
comment: Work in progress
☆ Continual Self-Supervised Learning with Masked Autoencoders in Remote Sensing
The development of continual learning (CL) methods, which aim to learn new tasks in a sequential manner from the training data acquired continuously, has gained great attention in remote sensing (RS). The existing CL methods in RS, while learning new tasks, enhance robustness towards catastrophic forgetting. This is achieved by using a large number of labeled training samples, which is costly and not always feasible to gather in RS. To address this problem, we propose a novel continual self-supervised learning method in the context of masked autoencoders (denoted as CoSMAE). The proposed CoSMAE consists of two components: i) data mixup; and ii) model mixup knowledge distillation. Data mixup is associated with retaining information on previous data distributions by interpolating images from the current task with those from the previous tasks. Model mixup knowledge distillation is associated with distilling knowledge from past models and the current model simultaneously by interpolating their model weights to form a teacher for the knowledge distillation. The two components complement each other to regularize the MAE at the data and model levels to facilitate better generalization across tasks and reduce the risk of catastrophic forgetting. Experimental results show that CoSMAE achieves significant improvements of up to 4.94% over state-of-the-art CL methods applied to MAE. Our code is publicly available at: https://git.tu-berlin.de/rsim/CoSMAE.
comment: Accepted to IEEE Geoscience and Remote Sensing Letters. Our code is available at https://git.tu-berlin.de/rsim/CoSMAE
☆ HieraSurg: Hierarchy-Aware Diffusion Model for Surgical Video Generation MICCAI 2025
Surgical Video Synthesis has emerged as a promising research direction following the success of diffusion models in general-domain video generation. Although existing approaches achieve high-quality video generation, most are unconditional and fail to maintain consistency with surgical actions and phases, lacking the surgical understanding and fine-grained guidance necessary for factual simulation. We address these challenges by proposing HieraSurg, a hierarchy-aware surgical video generation framework consisting of two specialized diffusion models. Given a surgical phase and an initial frame, HieraSurg first predicts future coarse-grained semantic changes through a segmentation prediction model. The final video is then generated by a second-stage model that augments these temporal segmentation maps with fine-grained visual features, leading to effective texture rendering and integration of semantic information in the video space. Our approach leverages surgical information at multiple levels of abstraction, including surgical phase, action triplets, and panoptic segmentation maps. The experimental results on Cholecystectomy Surgical Video Generation demonstrate that the model significantly outperforms prior work both quantitatively and qualitatively, showing strong generalization capabilities and the ability to generate higher frame-rate videos. The model exhibits particularly fine-grained adherence when provided with existing segmentation maps, suggesting its potential for practical surgical applications.
comment: Accepted at MICCAI 2025
☆ HumanOmniV2: From Understanding to Omni-Modal Reasoning with Context
With the rapid evolution of multimodal large language models, the capacity to deeply understand and interpret human intentions has emerged as a critical capability, which demands detailed and thoughtful reasoning. In recent studies, Reinforcement Learning (RL) has demonstrated potential in enhancing the reasoning capabilities of Large Language Models (LLMs). Nonetheless, the challenges associated with adapting RL to multimodal data and formats remain largely unaddressed. In this paper, we identify two issues in existing multimodal reasoning models: insufficient global context understanding and shortcut problems. Insufficient context understanding can happen when a model misinterprets multimodal context, resulting in incorrect answers. The shortcut problem occurs when the model overlooks crucial clues in multimodal inputs, directly addressing the query without considering the multimodal information. To tackle these issues, we emphasize the necessity for the model to reason with a clear understanding of the global context within multimodal inputs. This global context understanding can effectively prevent the model from overlooking key multimodal cues and ensure a thorough reasoning process. To ensure the accurate interpretation of multimodal context information, we implement a context reward judged by a large language model, alongside format and accuracy rewards. Additionally, to improve complex reasoning capability, we employ the LLM to assess the logical reward, determining whether the reasoning process successfully integrates multimodal information with logical methods. We also introduce a reasoning omni-modal benchmark, IntentBench, aimed at evaluating models in understanding complex human intentions and emotions. Our proposed method demonstrates advanced performance across multiple omni-modal benchmarks compared to other open-source omni-modal models.
☆ WordCon: Word-level Typography Control in Scene Text Rendering
Achieving precise word-level typography control within generated images remains a persistent challenge. To address it, we newly construct a word-level controlled scene text dataset and introduce the Text-Image Alignment (TIA) framework. This framework leverages cross-modal correspondence between text and local image regions provided by grounding models to enhance the Text-to-Image (T2I) model training. Furthermore, we propose WordCon, a hybrid parameter-efficient fine-tuning (PEFT) method. WordCon reparameterizes selective key parameters, improving both efficiency and portability. This allows seamless integration into diverse pipelines, including artistic text rendering, text editing, and image-conditioned text rendering. To further enhance controllability, the masked loss at the latent level is applied to guide the model to concentrate on learning the text region in the image, and the joint-attention loss provides feature-level supervision to promote disentanglement between different words. Both qualitative and quantitative results demonstrate the superiority of our method to the state of the art. The datasets and source code will be available for academic use.
☆ FairyGen: Storied Cartoon Video from a Single Child-Drawn Character
We propose FairyGen, an automatic system for generating story-driven cartoon videos from a single child's drawing, while faithfully preserving its unique artistic style. Unlike previous storytelling methods that primarily focus on character consistency and basic motion, FairyGen explicitly disentangles character modeling from stylized background generation and incorporates cinematic shot design to support expressive and coherent storytelling. Given a single character sketch, we first employ an MLLM to generate a structured storyboard with shot-level descriptions that specify environment settings, character actions, and camera perspectives. To ensure visual consistency, we introduce a style propagation adapter that captures the character's visual style and applies it to the background, faithfully retaining the character's full visual identity while synthesizing style-consistent scenes. A shot design module further enhances visual diversity and cinematic quality through frame cropping and multi-view synthesis based on the storyboard. To animate the story, we reconstruct a 3D proxy of the character to derive physically plausible motion sequences, which are then used to fine-tune an MMDiT-based image-to-video diffusion model. We further propose a two-stage motion customization adapter: the first stage learns appearance features from temporally unordered frames, disentangling identity from motion; the second stage models temporal dynamics using a timestep-shift strategy with frozen identity weights. Once trained, FairyGen directly renders diverse and coherent video scenes aligned with the storyboard. Extensive experiments demonstrate that our system produces animations that are stylistically faithful, narratively structured natural motion, highlighting its potential for personalized and engaging story animation. The code will be available at https://github.com/GVCLab/FairyGen
comment: Project Page: https://jayleejia.github.io/FairyGen/ ; Code: https://github.com/GVCLab/FairyGen
☆ Video Virtual Try-on with Conditional Diffusion Transformer Inpainter
Video virtual try-on aims to naturally fit a garment to a target person in consecutive video frames. It is a challenging task, on the one hand, the output video should be in good spatial-temporal consistency, on the other hand, the details of the given garment need to be preserved well in all the frames. Naively using image-based try-on methods frame by frame can get poor results due to severe inconsistency. Recent diffusion-based video try-on methods, though very few, happen to coincide with a similar solution: inserting temporal attention into image-based try-on model to adapt it for video try-on task, which have shown improvements but there still exist inconsistency problems. In this paper, we propose ViTI (Video Try-on Inpainter), formulate and implement video virtual try-on as a conditional video inpainting task, which is different from previous methods. In this way, we start with a video generation problem instead of an image-based try-on problem, which from the beginning has a better spatial-temporal consistency. Specifically, at first we build a video inpainting framework based on Diffusion Transformer with full 3D spatial-temporal attention, and then we progressively adapt it for video garment inpainting, with a collection of masking strategies and multi-stage training. After these steps, the model can inpaint the masked garment area with appropriate garment pixels according to the prompt with good spatial-temporal consistency. Finally, as other try-on methods, garment condition is added to the model to make sure the inpainted garment appearance and details are as expected. Both quantitative and qualitative experimental results show that ViTI is superior to previous works.
comment: 10 pages, 6 figures
☆ DuET: Dual Incremental Object Detection via Exemplar-Free Task Arithmetic ICCV 2025
Real-world object detection systems, such as those in autonomous driving and surveillance, must continuously learn new object categories and simultaneously adapt to changing environmental conditions. Existing approaches, Class Incremental Object Detection (CIOD) and Domain Incremental Object Detection (DIOD) only address one aspect of this challenge. CIOD struggles in unseen domains, while DIOD suffers from catastrophic forgetting when learning new classes, limiting their real-world applicability. To overcome these limitations, we introduce Dual Incremental Object Detection (DuIOD), a more practical setting that simultaneously handles class and domain shifts in an exemplar-free manner. We propose DuET, a Task Arithmetic-based model merging framework that enables stable incremental learning while mitigating sign conflicts through a novel Directional Consistency Loss. Unlike prior methods, DuET is detector-agnostic, allowing models like YOLO11 and RT-DETR to function as real-time incremental object detectors. To comprehensively evaluate both retention and adaptation, we introduce the Retention-Adaptability Index (RAI), which combines the Average Retention Index (Avg RI) for catastrophic forgetting and the Average Generalization Index for domain adaptability into a common ground. Extensive experiments on the Pascal Series and Diverse Weather Series demonstrate DuET's effectiveness, achieving a +13.12% RAI improvement while preserving 89.3% Avg RI on the Pascal Series (4 tasks), as well as a +11.39% RAI improvement with 88.57% Avg RI on the Diverse Weather Series (3 tasks), outperforming existing methods.
comment: Accepted at ICCV 2025
☆ Temporal Rate Reduction Clustering for Human Motion Segmentation ICCV 2025
Human Motion Segmentation (HMS), which aims to partition videos into non-overlapping human motions, has attracted increasing research attention recently. Existing approaches for HMS are mainly dominated by subspace clustering methods, which are grounded on the assumption that high-dimensional temporal data align with a Union-of-Subspaces (UoS) distribution. However, the frames in video capturing complex human motions with cluttered backgrounds may not align well with the UoS distribution. In this paper, we propose a novel approach for HMS, named Temporal Rate Reduction Clustering ($\text{TR}^2\text{C}$), which jointly learns structured representations and affinity to segment the frame sequences in video. Specifically, the structured representations learned by $\text{TR}^2\text{C}$ maintain temporally consistent and align well with a UoS structure, which is favorable for the HMS task. We conduct extensive experiments on five benchmark HMS datasets and achieve state-of-the-art performances with different feature extractors.
comment: The paper is accepted by ICCV 2025. The first two authors are equally contributed
☆ GANet-Seg: Adversarial Learning for Brain Tumor Segmentation with Hybrid Generative Models
This work introduces a novel framework for brain tumor segmentation leveraging pre-trained GANs and Unet architectures. By combining a global anomaly detection module with a refined mask generation network, the proposed model accurately identifies tumor-sensitive regions and iteratively enhances segmentation precision using adversarial loss constraints. Multi-modal MRI data and synthetic image augmentation are employed to improve robustness and address the challenge of limited annotated datasets. Experimental results on the BraTS dataset demonstrate the effectiveness of the approach, achieving high sensitivity and accuracy in both lesion-wise Dice and HD95 metrics than the baseline. This scalable method minimizes the dependency on fully annotated data, paving the way for practical real-world applications in clinical settings.
☆ DiMPLe -- Disentangled Multi-Modal Prompt Learning: Enhancing Out-Of-Distribution Alignment with Invariant and Spurious Feature Separation
We introduce DiMPLe (Disentangled Multi-Modal Prompt Learning), a novel approach to disentangle invariant and spurious features across vision and language modalities in multi-modal learning. Spurious correlations in visual data often hinder out-of-distribution (OOD) performance. Unlike prior methods focusing solely on image features, DiMPLe disentangles features within and across modalities while maintaining consistent alignment, enabling better generalization to novel classes and robustness to distribution shifts. Our method combines three key objectives: (1) mutual information minimization between invariant and spurious features, (2) spurious feature regularization, and (3) contrastive learning on invariant features. Extensive experiments demonstrate DiMPLe demonstrates superior performance compared to CoOp-OOD, when averaged across 11 diverse datasets, and achieves absolute gains of 15.27 in base class accuracy and 44.31 in novel class accuracy.
☆ Real-Time ESFP: Estimating, Smoothing, Filtering, and Pose-Mapping
This paper presents ESFP, an end-to-end pipeline that converts monocular RGB video into executable joint trajectories for a low-cost 4-DoF desktop arm. ESFP comprises four sequential modules. (1) Estimating: ROMP lifts each frame to a 24-joint 3-D skeleton. (2) Smoothing: the proposed HPSTM-a sequence-to-sequence Transformer with self-attention-combines long-range temporal context with a differentiable forward-kinematics decoder, enforcing constant bone lengths and anatomical plausibility while jointly predicting joint means and full covariances. (3) Filtering: root-normalized trajectories are variance-weighted according to HPSTM's uncertainty estimates, suppressing residual noise. (4) Pose-Mapping: a geometric retargeting layer transforms shoulder-elbow-wrist triples into the uArm's polar workspace, preserving wrist orientation.
☆ ReME: A Data-Centric Framework for Training-Free Open-Vocabulary Segmentation ICCV 2025
Training-free open-vocabulary semantic segmentation (OVS) aims to segment images given a set of arbitrary textual categories without costly model fine-tuning. Existing solutions often explore attention mechanisms of pre-trained models, such as CLIP, or generate synthetic data and design complex retrieval processes to perform OVS. However, their performance is limited by the capability of reliant models or the suboptimal quality of reference sets. In this work, we investigate the largely overlooked data quality problem for this challenging dense scene understanding task, and identify that a high-quality reference set can significantly benefit training-free OVS. With this observation, we introduce a data-quality-oriented framework, comprising a data pipeline to construct a reference set with well-paired segment-text embeddings and a simple similarity-based retrieval to unveil the essential effect of data. Remarkably, extensive evaluations on ten benchmark datasets demonstrate that our method outperforms all existing training-free OVS approaches, highlighting the importance of data-centric design for advancing OVS without training. Our code is available at https://github.com/xiweix/ReME .
comment: Accepted to ICCV 2025
☆ BitMark for Infinity: Watermarking Bitwise Autoregressive Image Generative Models
State-of-the-art text-to-image models like Infinity generate photorealistic images at an unprecedented speed. These models operate in a bitwise autoregressive manner over a discrete set of tokens that is practically infinite in size. However, their impressive generative power comes with a growing risk: as their outputs increasingly populate the Internet, they are likely to be scraped and reused as training data-potentially by the very same models. This phenomenon has been shown to lead to model collapse, where repeated training on generated content, especially from the models' own previous versions, causes a gradual degradation in performance. A promising mitigation strategy is watermarking, which embeds human-imperceptible yet detectable signals into generated images-enabling the identification of generated content. In this work, we introduce BitMark, a robust bitwise watermarking framework for Infinity. Our method embeds a watermark directly at the bit level of the token stream across multiple scales (also referred to as resolutions) during Infinity's image generation process. Our bitwise watermark subtly influences the bits to preserve visual fidelity and generation speed while remaining robust against a spectrum of removal techniques. Furthermore, it exhibits high radioactivity, i.e., when watermarked generated images are used to train another image generative model, this second model's outputs will also carry the watermark. The radioactive traces remain detectable even when only fine-tuning diffusion or image autoregressive models on images watermarked with our BitMark. Overall, our approach provides a principled step toward preventing model collapse in image generative models by enabling reliable detection of generated outputs.
☆ MedPrompt: LLM-CNN Fusion with Weight Routing for Medical Image Segmentation and Classification
Current medical image analysis systems are typically task-specific, requiring separate models for classification and segmentation, and lack the flexibility to support user-defined workflows. To address these challenges, we introduce MedPrompt, a unified framework that combines a few-shot prompted Large Language Model (Llama-4-17B) for high-level task planning with a modular Convolutional Neural Network (DeepFusionLab) for low-level image processing. The LLM interprets user instructions and generates structured output to dynamically route task-specific pretrained weights. This weight routing approach avoids retraining the entire framework when adding new tasks-only task-specific weights are required, enhancing scalability and deployment. We evaluated MedPrompt across 19 public datasets, covering 12 tasks spanning 5 imaging modalities. The system achieves a 97% end-to-end correctness in interpreting and executing prompt-driven instructions, with an average inference latency of 2.5 seconds, making it suitable for near real-time applications. DeepFusionLab achieves competitive segmentation accuracy (e.g., Dice 0.9856 on lungs) and strong classification performance (F1 0.9744 on tuberculosis). Overall, MedPrompt enables scalable, prompt-driven medical imaging by combining the interpretability of LLMs with the efficiency of modular CNNs.
comment: 40 pages, 8 Tables, 9 Figures
☆ Unlocking Constraints: Source-Free Occlusion-Aware Seamless Segmentation ICCV 2025
Panoramic image processing is essential for omni-context perception, yet faces constraints like distortions, perspective occlusions, and limited annotations. Previous unsupervised domain adaptation methods transfer knowledge from labeled pinhole data to unlabeled panoramic images, but they require access to source pinhole data. To address these, we introduce a more practical task, i.e., Source-Free Occlusion-Aware Seamless Segmentation (SFOASS), and propose its first solution, called UNconstrained Learning Omni-Context Knowledge (UNLOCK). Specifically, UNLOCK includes two key modules: Omni Pseudo-Labeling Learning and Amodal-Driven Context Learning. While adapting without relying on source data or target labels, this framework enhances models to achieve segmentation with 360{\deg} viewpoint coverage and occlusion-aware reasoning. Furthermore, we benchmark the proposed SFOASS task through both real-to-real and synthetic-to-real adaptation settings. Experimental results show that our source-free method achieves performance comparable to source-dependent methods, yielding state-of-the-art scores of 10.9 in mAAP and 11.6 in mAP, along with an absolute improvement of +4.3 in mAPQ over the source-only method. All data and code will be made publicly available at https://github.com/yihong-97/UNLOCK.
comment: Accepted to ICCV 2025. All data and code will be made publicly available at https://github.com/yihong-97/UNLOCK
☆ GroundFlow: A Plug-in Module for Temporal Reasoning on 3D Point Cloud Sequential Grounding
Sequential grounding in 3D point clouds (SG3D) refers to locating sequences of objects by following text instructions for a daily activity with detailed steps. Current 3D visual grounding (3DVG) methods treat text instructions with multiple steps as a whole, without extracting useful temporal information from each step. However, the instructions in SG3D often contain pronouns such as "it", "here" and "the same" to make language expressions concise. This requires grounding methods to understand the context and retrieve relevant information from previous steps to correctly locate object sequences. Due to the lack of an effective module for collecting related historical information, state-of-the-art 3DVG methods face significant challenges in adapting to the SG3D task. To fill this gap, we propose GroundFlow -- a plug-in module for temporal reasoning on 3D point cloud sequential grounding. Firstly, we demonstrate that integrating GroundFlow improves the task accuracy of 3DVG baseline methods by a large margin (+7.5\% and +10.2\%) in the SG3D benchmark, even outperforming a 3D large language model pre-trained on various datasets. Furthermore, we selectively extract both short-term and long-term step information based on its relevance to the current instruction, enabling GroundFlow to take a comprehensive view of historical information and maintain its temporal understanding advantage as step counts increase. Overall, our work introduces temporal reasoning capabilities to existing 3DVG models and achieves state-of-the-art performance in the SG3D benchmark across five datasets.
☆ Out-of-Distribution Semantic Occupancy Prediction
3D Semantic Occupancy Prediction is crucial for autonomous driving, providing a dense, semantically rich environmental representation. However, existing methods focus on in-distribution scenes, making them susceptible to Out-of-Distribution (OoD) objects and long-tail distributions, which increases the risk of undetected anomalies and misinterpretations, posing safety hazards. To address these challenges, we introduce Out-of-Distribution Semantic Occupancy Prediction, targeting OoD detection in 3D voxel space. To fill the gaps in the dataset, we propose a Synthetic Anomaly Integration Pipeline that injects synthetic anomalies while preserving realistic spatial and occlusion patterns, enabling the creation of two datasets: VAA-KITTI and VAA-KITTI-360. We introduce OccOoD, a novel framework integrating OoD detection into 3D semantic occupancy prediction, with Voxel-BEV Progressive Fusion (VBPF) leveraging an RWKV-based branch to enhance OoD detection via geometry-semantic fusion. Experimental results demonstrate that OccOoD achieves state-of-the-art OoD detection with an AuROC of 67.34% and an AuPRCr of 29.21% within a 1.2m region, while maintaining competitive occupancy prediction performance. The established datasets and source code will be made publicly available at https://github.com/7uHeng/OccOoD.
comment: The established datasets and source code will be made publicly available at https://github.com/7uHeng/OccOoD
☆ Task-Aware KV Compression For Cost-Effective Long Video Understanding
Long-video understanding (LVU) remains a severe challenge for existing multimodal large language models (MLLMs), primarily due to the prohibitive computational cost. Recent approaches have explored KV compression to mitigate this issue, but they often suffer from significant information loss at high compression ratios. In this paper, we introduce Video-X^2L, which flexibly preserves critical video information for each LVU task. Video-X^2L involves two key operations. The first one is called bi-level KV compression. During the MLLM's pre-filling stage, Video-X^2L generates two types of compressed KVs: low-compression KVs (L-KVs) to capture fine-grained video details and high-compression KVs (H-KVs) to offer compact video representations. The second one is called selective KV re-loading. During the MLLM's decoding stage, Video-X^2L selectively re-loads L-KVs for the most critical video chunks while using H-KVs for other less important ones. This allows the MLLM to fully utilize task-specific information while maintaining the overall compactness. Video-X^2L is simple yet effective: it is free from additional training and directly compatible with existing KV-compressible MLLMs. We evaluate Video-X^2L with a variety of popular LVU benchmarks, including VideoMME, MLVU, LongVideoBench, and VNBench. Our experiment result shows that Video-X^2L outperforms existing KV-compression methods by a huge advantage while substantially saving the computation cost.
comment: 14 pages, 3 figures, 6 tables
☆ Uncover Treasures in DCT: Advancing JPEG Quality Enhancement by Exploiting Latent Correlations
Joint Photographic Experts Group (JPEG) achieves data compression by quantizing Discrete Cosine Transform (DCT) coefficients, which inevitably introduces compression artifacts. Most existing JPEG quality enhancement methods operate in the pixel domain, suffering from the high computational costs of decoding. Consequently, direct enhancement of JPEG images in the DCT domain has gained increasing attention. However, current DCT-domain methods often exhibit limited performance. To address this challenge, we identify two critical types of correlations within the DCT coefficients of JPEG images. Building on this insight, we propose an Advanced DCT-domain JPEG Quality Enhancement (AJQE) method that fully exploits these correlations. The AJQE method enables the adaptation of numerous well-established pixel-domain models to the DCT domain, achieving superior performance with reduced computational complexity. Compared to the pixel-domain counterparts, the DCT-domain models derived by our method demonstrate a 0.35 dB improvement in PSNR and a 60.5% increase in enhancement throughput on average.
☆ Topology-Aware Modeling for Unsupervised Simulation-to-Reality Point Cloud Recognition
Learning semantic representations from point sets of 3D object shapes is often challenged by significant geometric variations, primarily due to differences in data acquisition methods. Typically, training data is generated using point simulators, while testing data is collected with distinct 3D sensors, leading to a simulation-to-reality (Sim2Real) domain gap that limits the generalization ability of point classifiers. Current unsupervised domain adaptation (UDA) techniques struggle with this gap, as they often lack robust, domain-insensitive descriptors capable of capturing global topological information, resulting in overfitting to the limited semantic patterns of the source domain. To address this issue, we introduce a novel Topology-Aware Modeling (TAM) framework for Sim2Real UDA on object point clouds. Our approach mitigates the domain gap by leveraging global spatial topology, characterized by low-level, high-frequency 3D structures, and by modeling the topological relations of local geometric features through a novel self-supervised learning task. Additionally, we propose an advanced self-training strategy that combines cross-domain contrastive learning with self-training, effectively reducing the impact of noisy pseudo-labels and enhancing the robustness of the adaptation process. Experimental results on three public Sim2Real benchmarks validate the effectiveness of our TAM framework, showing consistent improvements over state-of-the-art methods across all evaluated tasks. The source code of this work will be available at https://github.com/zou-longkun/TAG.git.
☆ Geometry and Perception Guided Gaussians for Multiview-consistent 3D Generation from a Single Image
Generating realistic 3D objects from single-view images requires natural appearance, 3D consistency, and the ability to capture multiple plausible interpretations of unseen regions. Existing approaches often rely on fine-tuning pretrained 2D diffusion models or directly generating 3D information through fast network inference or 3D Gaussian Splatting, but their results generally suffer from poor multiview consistency and lack geometric detail. To takle these issues, we present a novel method that seamlessly integrates geometry and perception priors without requiring additional model training to reconstruct detailed 3D objects from a single image. Specifically, we train three different Gaussian branches initialized from the geometry prior, perception prior and Gaussian noise, respectively. The geometry prior captures the rough 3D shapes, while the perception prior utilizes the 2D pretrained diffusion model to enhance multiview information. Subsequently, we refine 3D Gaussian branches through mutual interaction between geometry and perception priors, further enhanced by a reprojection-based strategy that enforces depth consistency. Experiments demonstrate the higher-fidelity reconstruction results of our method, outperforming existing methods on novel view synthesis and 3D reconstruction, demonstrating robust and consistent 3D object generation.
comment: 10 pages, 5 figures
☆ Robust Deep Learning for Myocardial Scar Segmentation in Cardiac MRI with Noisy Labels MICCAI 2025
The accurate segmentation of myocardial scars from cardiac MRI is essential for clinical assessment and treatment planning. In this study, we propose a robust deep-learning pipeline for fully automated myocardial scar detection and segmentation by fine-tuning state-of-the-art models. The method explicitly addresses challenges of label noise from semi-automatic annotations, data heterogeneity, and class imbalance through the use of Kullback-Leibler loss and extensive data augmentation. We evaluate the model's performance on both acute and chronic cases and demonstrate its ability to produce accurate and smooth segmentations despite noisy labels. In particular, our approach outperforms state-of-the-art models like nnU-Net and shows strong generalizability in an out-of-distribution test set, highlighting its robustness across various imaging conditions and clinical tasks. These results establish a reliable foundation for automated myocardial scar quantification and support the broader clinical adoption of deep learning in cardiac imaging.
comment: MICCAI 2025
☆ Tree-based Semantic Losses: Application to Sparsely-supervised Large Multi-class Hyperspectral Segmentation
Hyperspectral imaging (HSI) shows great promise for surgical applications, offering detailed insights into biological tissue differences beyond what the naked eye can perceive. Refined labelling efforts are underway to train vision systems to distinguish large numbers of subtly varying classes. However, commonly used learning methods for biomedical segmentation tasks penalise all errors equivalently and thus fail to exploit any inter-class semantics in the label space. In this work, we introduce two tree-based semantic loss functions which take advantage of a hierarchical organisation of the labels. We further incorporate our losses in a recently proposed approach for training with sparse, background-free annotations. Extensive experiments demonstrate that our proposed method reaches state-of-the-art performance on a sparsely annotated HSI dataset comprising $107$ classes organised in a clinically-defined semantic tree structure. Furthermore, our method enables effective detection of out-of-distribution (OOD) pixels without compromising segmentation performance on in-distribution (ID) pixels.
♻ ☆ Learning to Be a Transformer to Pinpoint Anomalies
To efficiently deploy strong, often pre-trained feature extractors, recent Industrial Anomaly Detection and Segmentation (IADS) methods process low-resolution images, e.g., 224x224 pixels, obtained by downsampling the original input images. However, while numerous industrial applications demand the identification of both large and small defects, downsampling the input image to a low resolution may hinder a method's ability to pinpoint tiny anomalies. We propose a novel Teacher--Student paradigm to leverage strong pre-trained features while processing high-resolution input images very efficiently. The core idea concerns training two shallow MLPs (the Students) by nominal images so as to mimic the mappings between the patch embeddings induced by the self-attention layers of a frozen vision Transformer (the Teacher). Indeed, learning these mappings sets forth a challenging pretext task that small-capacity models are unlikely to accomplish on out-of-distribution data such as anomalous images. Our method can spot anomalies from high-resolution images and runs way faster than competitors, achieving state-of-the-art performance on MVTec AD and the best segmentation results on VisA. We also propose novel evaluation metrics to capture robustness to defect size, i.e., the ability to preserve good localisation from large anomalies to tiny ones. Evaluating our method also by these metrics reveals its neatly superior performance.
comment: Accepted at IEEE Access
♻ ☆ CanFields: Consolidating Diffeomorphic Flows for Non-Rigid 4D Interpolation from Arbitrary-Length Sequences ICCV2025
We introduce Canonical Consolidation Fields (CanFields). This novel method interpolates arbitrary-length sequences of independently sampled 3D point clouds into a unified, continuous, and coherent deforming shape. Unlike prior methods that oversmooth geometry or produce topological and geometric artifacts, CanFields optimizes fine-detailed geometry and deformation jointly in an unsupervised fitting with two novel bespoke modules. First, we introduce a dynamic consolidator module that adjusts the input and assigns confidence scores, balancing the optimization of the canonical shape and its motion. Second, we represent the motion as a diffeomorphic flow parameterized by a smooth velocity field. We have validated our robustness and accuracy on more than 50 diverse sequences, demonstrating its superior performance even with missing regions, noisy raw scans, and sparse data. Our project page is at: https://wangmiaowei.github.io/CanFields.github.io/.
comment: ICCV2025 Accepted
♻ ☆ SimWorld: A Unified Benchmark for Simulator-Conditioned Scene Generation via World Model
With the rapid advancement of autonomous driving technology, a lack of data has become a major obstacle to enhancing perception model accuracy. Researchers are now exploring controllable data generation using world models to diversify datasets. However, previous work has been limited to studying image generation quality on specific public datasets. There is still relatively little research on how to build data generation engines for real-world application scenes to achieve large-scale data generation for challenging scenes. In this paper, a simulator-conditioned scene generation engine based on world model is proposed. By constructing a simulation system consistent with real-world scenes, simulation data and labels, which serve as the conditions for data generation in the world model, for any scenes can be collected. It is a novel data generation pipeline by combining the powerful scene simulation capabilities of the simulation engine with the robust data generation capabilities of the world model. In addition, a benchmark with proportionally constructed virtual and real data, is provided for exploring the capabilities of world models in real-world scenes. Quantitative results show that these generated images significantly improve downstream perception models performance. Finally, we explored the generative performance of the world model in urban autonomous driving scenarios. All the data and code will be available at https://github.com/Li-Zn-H/SimWorld.
comment: 8 pages, 4 figures
♻ ☆ Chain-of-Sketch: Enabling Global Visual Reasoning
Modern vision models have achieved remarkable success in benchmarks where local features provide critical information about the target. There is now a growing interest in tackling tasks requiring more global reasoning, where local features do not provide significant information. Minsky and Papert put forward such tasks in 1969 with their connectivity study, exposing the limitations of the perceptron model. In this paper, we introduce an expanded set of global visual datasets involving graphs, strings, mazes, and image grids. We show that large vision models still struggle to learn these tasks efficiently. Similarly, state-of-the-art multi-modal LLMs perform poorly on these datasets. We explain this learning inefficiency by means of the 'globality degree' measure. To mitigate this, we propose a method called chain-of-sketch (CoS). Similar to the chain-of-thought and scratchpad techniques used in language models, CoS breaks the original task into intermediate visual steps to help learn a complex task. In addition, we show that not all CoS strategies perform equally well. Our key insight is to impose a Markovian structure on the CoS frames. This leads to the introduction of 'inductive CoS' which achieves better out-of-distribution generalization and performs well even with smaller models compared to non-inductive variants.
comment: additional experiments added, title changed from "Visual Scratchpads: Enabling Global Reasoning in Vision" to "Chain-of-Sketch: Enabling Global Visual Reasoning"
♻ ☆ QuEST: Low-bit Diffusion Model Quantization via Efficient Selective Finetuning ICCV 2025
The practical deployment of diffusion models is still hindered by the high memory and computational overhead. Although quantization paves a way for model compression and acceleration, existing methods face challenges in achieving low-bit quantization efficiently. In this paper, we identify imbalanced activation distributions as a primary source of quantization difficulty, and propose to adjust these distributions through weight finetuning to be more quantization-friendly. We provide both theoretical and empirical evidence supporting finetuning as a practical and reliable solution. Building on this approach, we further distinguish two critical types of quantized layers: those responsible for retaining essential temporal information and those particularly sensitive to bit-width reduction. By selectively finetuning these layers under both local and global supervision, we mitigate performance degradation while enhancing quantization efficiency. Our method demonstrates its efficacy across three high-resolution image generation tasks, obtaining state-of-the-art performance across multiple bit-width settings.
comment: ICCV 2025. Code is available at https://github.com/hatchetProject/QuEST
♻ ☆ AnyCalib: On-Manifold Learning for Model-Agnostic Single-View Camera Calibration ICCV 2025
We present AnyCalib, a method for calibrating the intrinsic parameters of a camera from a single in-the-wild image, that is agnostic to the camera model. Current methods are predominantly tailored to specific camera models and/or require extrinsic cues, such as the direction of gravity, to be visible in the image. In contrast, we argue that the perspective and distortion cues inherent in images are sufficient for model-agnostic camera calibration. To demonstrate this, we frame the calibration process as the regression of the rays corresponding to each pixel. We show, for the first time, that this intermediate representation allows for a closed-form recovery of the intrinsics for a wide range of camera models, including but not limited to: pinhole, Brown-Conrady and Kannala-Brandt. Our approach also applies to edited -- cropped and stretched -- images. Experimentally, we demonstrate that AnyCalib consistently outperforms alternative methods, including 3D foundation models, despite being trained on orders of magnitude less data. Code is available at https://github.com/javrtg/AnyCalib.
comment: Accepted to ICCV 2025
♻ ☆ EgoM2P: Egocentric Multimodal Multitask Pretraining ICCV 2025
Understanding multimodal signals in egocentric vision, such as RGB video, depth, camera poses, and gaze, is essential for applications in augmented reality, robotics, and human-computer interaction, enabling systems to better interpret the camera wearer's actions, intentions, and surrounding environment. However, building large-scale egocentric multimodal and multitask models presents unique challenges. Egocentric data are inherently heterogeneous, with large variations in modality coverage across devices and settings. Generating pseudo-labels for missing modalities, such as gaze or head-mounted camera trajectories, is often infeasible, making standard supervised learning approaches difficult to scale. Furthermore, dynamic camera motion and the complex temporal and spatial structure of first-person video pose additional challenges for the direct application of existing multimodal foundation models. To address these challenges, we introduce a set of efficient temporal tokenizers and propose EgoM2P, a masked modeling framework that learns from temporally-aware multimodal tokens to train a large, general-purpose model for egocentric 4D understanding. This unified design supports multitasking across diverse egocentric perception and synthesis tasks, including gaze prediction, egocentric camera tracking, and monocular depth estimation from egocentric video, and also serves as a generative model for conditional egocentric video synthesis. Across these tasks, EgoM2P matches or outperforms specialist models while being an order of magnitude faster. We will fully open-source EgoM2P to support the community and advance egocentric vision research. Project page: https://egom2p.github.io/.
comment: Accepted by ICCV 2025
♻ ☆ Fake it till You Make it: Reward Modeling as Discriminative Prediction
An effective reward model plays a pivotal role in reinforcement learning for post-training enhancement of visual generative models. However, current approaches of reward modeling suffer from implementation complexity due to their reliance on extensive human-annotated preference data or meticulously engineered quality dimensions that are often incomplete and engineering-intensive. Inspired by adversarial training in generative adversarial networks (GANs), this paper proposes GAN-RM, an efficient reward modeling framework that eliminates manual preference annotation and explicit quality dimension engineering. Our method trains the reward model through discrimination between a small set of representative, unpaired target samples(denoted as Preference Proxy Data) and model-generated ordinary outputs, requiring only a few hundred target samples. Comprehensive experiments demonstrate our GAN-RM's effectiveness across multiple key applications including test-time scaling implemented as Best-of-N sample filtering, post-training approaches like Supervised Fine-Tuning (SFT) and Direct Preference Optimization (DPO). Code and data will be released at https://github.com/Visualignment/GAN-RM.
♻ ☆ Materialist: Physically Based Editing Using Single-Image Inverse Rendering
Achieving physically consistent image editing remains a significant challenge in computer vision. Existing image editing methods typically rely on neural networks, which struggle to accurately handle shadows and refractions. Conversely, physics-based inverse rendering often requires multi-view optimization, limiting its practicality in single-image scenarios. In this paper, we propose Materialist, a method combining a learning-based approach with physically based progressive differentiable rendering. Given an image, our method leverages neural networks to predict initial material properties. Progressive differentiable rendering is then used to optimize the environment map and refine the material properties with the goal of closely matching the rendered result to the input image. Our approach enables a range of applications, including material editing, object insertion, and relighting, while also introducing an effective method for editing material transparency without requiring full scene geometry. Furthermore, Our envmap estimation method also achieves state-of-the-art performance, further enhancing the accuracy of image editing task. Experiments demonstrate strong performance across synthetic and real-world datasets, excelling even on challenging out-of-domain images. Project website: https://lez-s.github.io/materialist_project/
comment: Add acknowledgements, more authors and more results. Project website: https://lez-s.github.io/materialist_project/
♻ ☆ DisCoPatch: Taming Adversarially-driven Batch Statistics for Improved Out-of-Distribution Detection ICCV 2025
Out-of-distribution (OOD) detection holds significant importance across many applications. While semantic and domain-shift OOD problems are well-studied, this work focuses on covariate shifts - subtle variations in the data distribution that can degrade machine learning performance. We hypothesize that detecting these subtle shifts can improve our understanding of in-distribution boundaries, ultimately improving OOD detection. In adversarial discriminators trained with Batch Normalization (BN), real and adversarial samples form distinct domains with unique batch statistics - a property we exploit for OOD detection. We introduce DisCoPatch, an unsupervised Adversarial Variational Autoencoder (VAE) framework that harnesses this mechanism. During inference, batches consist of patches from the same image, ensuring a consistent data distribution that allows the model to rely on batch statistics. DisCoPatch uses the VAE's suboptimal outputs (generated and reconstructed) as negative samples to train the discriminator, thereby improving its ability to delineate the boundary between in-distribution samples and covariate shifts. By tightening this boundary, DisCoPatch achieves state-of-the-art results in public OOD detection benchmarks. The proposed model not only excels in detecting covariate shifts, achieving 95.5% AUROC on ImageNet-1K(-C) but also outperforms all prior methods on public Near-OOD (95.0%) benchmarks. With a compact model size of 25MB, it achieves high OOD detection performance at notably lower latency than existing methods, making it an efficient and practical solution for real-world OOD detection applications. The code is publicly available.
comment: ICCV 2025
♻ ☆ Harnessing Massive Satellite Imagery with Efficient Masked Image Modeling ICCV 2025
Masked Image Modeling (MIM) has become an essential method for building foundational visual models in remote sensing (RS). However, the limitations in size and diversity of existing RS datasets restrict the ability of MIM methods to learn generalizable representations. Additionally, conventional MIM techniques, which require reconstructing all tokens, introduce unnecessary computational overhead. To address these issues, we present a new pre-training pipeline for RS models, featuring the creation of a large-scale RS dataset and an efficient MIM approach. We curated a high-quality dataset named \textbf{OpticalRS-13M} by collecting publicly available RS datasets and processing them through exclusion, slicing, and deduplication. OpticalRS-13M comprises 13 million optical images covering various RS tasks, such as object detection and pixel segmentation. To enhance efficiency, we propose \textbf{SelectiveMAE}, a pre-training method that dynamically encodes and reconstructs semantically rich patch tokens, thereby reducing the inefficiencies of traditional MIM models caused by redundant background pixels in RS images. Extensive experiments show that OpticalRS-13M significantly improves classification, detection, and segmentation performance, while SelectiveMAE increases training efficiency over 2$\times$ times. This highlights the effectiveness and scalability of our pipeline in developing RS foundational models. The dataset, source code, and trained models will be released at https://github.com/MiliLab/SelectiveMAE.
comment: ICCV 2025
♻ ☆ OneIG-Bench: Omni-dimensional Nuanced Evaluation for Image Generation
Text-to-image (T2I) models have garnered significant attention for generating high-quality images aligned with text prompts. However, rapid T2I model advancements reveal limitations in early benchmarks, lacking comprehensive evaluations, for example, the evaluation on reasoning, text rendering and style. Notably, recent state-of-the-art models, with their rich knowledge modeling capabilities, show promising results on the image generation problems requiring strong reasoning ability, yet existing evaluation systems have not adequately addressed this frontier. To systematically address these gaps, we introduce OneIG-Bench, a meticulously designed comprehensive benchmark framework for fine-grained evaluation of T2I models across multiple dimensions, including prompt-image alignment, text rendering precision, reasoning-generated content, stylization, and diversity. By structuring the evaluation, this benchmark enables in-depth analysis of model performance, helping researchers and practitioners pinpoint strengths and bottlenecks in the full pipeline of image generation. Specifically, OneIG-Bench enables flexible evaluation by allowing users to focus on a particular evaluation subset. Instead of generating images for the entire set of prompts, users can generate images only for the prompts associated with the selected dimension and complete the corresponding evaluation accordingly. Our codebase and dataset are now publicly available to facilitate reproducible evaluation studies and cross-model comparisons within the T2I research community.
♻ ☆ Aligned Novel View Image and Geometry Synthesis via Cross-modal Attention Instillation
We introduce a diffusion-based framework that performs aligned novel view image and geometry generation via a warping-and-inpainting methodology. Unlike prior methods that require dense posed images or pose-embedded generative models limited to in-domain views, our method leverages off-the-shelf geometry predictors to predict partial geometries viewed from reference images, and formulates novel-view synthesis as an inpainting task for both image and geometry. To ensure accurate alignment between generated images and geometry, we propose cross-modal attention distillation, where attention maps from the image diffusion branch are injected into a parallel geometry diffusion branch during both training and inference. This multi-task approach achieves synergistic effects, facilitating geometrically robust image synthesis as well as well-defined geometry prediction. We further introduce proximity-based mesh conditioning to integrate depth and normal cues, interpolating between point cloud and filtering erroneously predicted geometry from influencing the generation process. Empirically, our method achieves high-fidelity extrapolative view synthesis on both image and geometry across a range of unseen scenes, delivers competitive reconstruction quality under interpolation settings, and produces geometrically aligned colored point clouds for comprehensive 3D completion. Project page is available at https://cvlab-kaist.github.io/MoAI.
comment: Project page at https://cvlab-kaist.github.io/MoAI
♻ ☆ STI-Bench: Are MLLMs Ready for Precise Spatial-Temporal World Understanding?
The use of Multimodal Large Language Models (MLLMs) as an end-to-end solution for Embodied AI and Autonomous Driving has become a prevailing trend. While MLLMs have been extensively studied for visual semantic understanding tasks, their ability to perform precise and quantitative spatial-temporal understanding in real-world applications remains largely unexamined, leading to uncertain prospects. To evaluate models' Spatial-Temporal Intelligence, we introduce STI-Bench, a benchmark designed to evaluate MLLMs' spatial-temporal understanding through challenging tasks such as estimating and predicting the appearance, pose, displacement, and motion of objects. Our benchmark encompasses a wide range of robot and vehicle operations across desktop, indoor, and outdoor scenarios. The extensive experiments reveals that the state-of-the-art MLLMs still struggle in real-world spatial-temporal understanding, especially in tasks requiring precise distance estimation and motion analysis.
♻ ☆ Consensus-Driven Uncertainty for Robotic Grasping based on RGB Perception
Deep object pose estimators are notoriously overconfident. A grasping agent that both estimates the 6-DoF pose of a target object and predicts the uncertainty of its own estimate could avoid task failure by choosing not to act under high uncertainty. Even though object pose estimation improves and uncertainty quantification research continues to make strides, few studies have connected them to the downstream task of robotic grasping. We propose a method for training lightweight, deep networks to predict whether a grasp guided by an image-based pose estimate will succeed before that grasp is attempted. We generate training data for our networks via object pose estimation on real images and simulated grasping. We also find that, despite high object variability in grasping trials, networks benefit from training on all objects jointly, suggesting that a diverse variety of objects can nevertheless contribute to the same goal.
comment: Accepted to IROS 2025
♻ ☆ Tackling fluffy clouds: robust field boundary delineation across global agricultural landscapes with Sentinel-1 and Sentinel-2 Time Series
Accurate delineation of agricultural field boundaries is essential for effective crop monitoring and resource management. However, competing methodologies often face significant challenges, particularly in their reliance on extensive manual efforts for cloud-free data curation and limited adaptability to diverse global conditions. In this paper, we introduce PTAViT3D, a deep learning architecture specifically designed for processing three-dimensional time series of satellite imagery from either Sentinel-1 (S1) or Sentinel-2 (S2). Additionally, we present PTAViT3D-CA, an extension of the PTAViT3D model incorporating cross-attention mechanisms to fuse S1 and S2 datasets, enhancing robustness in cloud-contaminated scenarios. The proposed methods leverage spatio-temporal correlations through a memory-efficient 3D Vision Transformer architecture, facilitating accurate boundary delineation directly from raw, cloud-contaminated imagery. We comprehensively validate our models through extensive testing on various datasets, including Australia's ePaddocks - CSIRO's national agricultural field boundary product - alongside public benchmarks Fields-of-the-World, PASTIS, and AI4SmallFarms. Our results consistently demonstrate state-of-the-art performance, highlighting excellent global transferability and robustness. Crucially, our approach significantly simplifies data preparation workflows by reliably processing cloud-affected imagery, thereby offering strong adaptability across diverse agricultural environments. Our code and models are publicly available at https://github.com/feevos/tfcl.
comment: revision 1, under review
♻ ☆ Mr. DETR++: Instructive Multi-Route Training for Detection Transformers with Mixture-of-Experts CVPR 2025
Existing methods enhance the training of detection transformers by incorporating an auxiliary one-to-many assignment. In this work, we treat the model as a multi-task framework, simultaneously performing one-to-one and one-to-many predictions. We investigate the roles of each component in the transformer decoder across these two training targets, including self-attention, cross-attention, and feed-forward network. Our empirical results demonstrate that any independent component in the decoder can effectively learn both targets simultaneously, even when other components are shared. This finding leads us to propose a multi-route training mechanism, featuring a primary route for one-to-one prediction and two auxiliary training routes for one-to-many prediction. We propose a novel instructive self-attention mechanism, integrated into the first auxiliary route, which dynamically and flexibly guides object queries for one-to-many prediction. For the second auxiliary route, we introduce a route-aware Mixture-of-Experts (MoE) to facilitate knowledge sharing while mitigating potential conflicts between routes. Additionally, we apply an MoE to low-scale features in the encoder, optimizing the balance between efficiency and effectiveness. The auxiliary routes are discarded during inference. We conduct extensive experiments across various object detection baselines, achieving consistent improvements as demonstrated in Fig. 1. Our method is highly flexible and can be readily adapted to other tasks. To demonstrate its versatility, we conduct experiments on both instance segmentation and panoptic segmentation, further validating its effectiveness. Project page: https://visual-ai.github.io/mrdetr/
comment: Under review. Extended version of our CVPR 2025 paper, see arXiv:2412.10028v3
♻ ☆ PuriDefense: Randomized Local Implicit Adversarial Purification for Defending Black-box Query-based Attacks
Black-box query-based attacks constitute significant threats to Machine Learning as a Service (MLaaS) systems since they can generate adversarial examples without accessing the target model's architecture and parameters. Traditional defense mechanisms, such as adversarial training, gradient masking, and input transformations, either impose substantial computational costs or compromise the test accuracy of non-adversarial inputs. To address these challenges, we propose an efficient defense mechanism, PuriDefense, that employs random patch-wise purifications with an ensemble of lightweight purification models at a low level of inference cost. These models leverage the local implicit function and rebuild the natural image manifold. Our theoretical analysis suggests that this approach slows down the convergence of query-based attacks by incorporating randomness into purifications. Extensive experiments on CIFAR-10 and ImageNet validate the effectiveness of our proposed purifier-based defense mechanism, demonstrating significant improvements in robustness against query-based attacks.
♻ ☆ Rethinking Detecting Salient and Camouflaged Objects in Unconstrained Scenes
While the human visual system employs distinct mechanisms to perceive salient and camouflaged objects, existing models struggle to disentangle these tasks. Specifically, salient object detection (SOD) models frequently misclassify camouflaged objects as salient, while camouflaged object detection (COD) models conversely misinterpret salient objects as camouflaged. We hypothesize that this can be attributed to two factors: (i) the specific annotation paradigm of current SOD and COD datasets, and (ii) the lack of explicit attribute relationship modeling in current models. Prevalent SOD/COD datasets enforce a mutual exclusivity constraint, assuming scenes contain either salient or camouflaged objects, which poorly aligns with the real world. Furthermore, current SOD/COD methods are primarily designed for these highly constrained datasets and lack explicit modeling of the relationship between salient and camouflaged objects. In this paper, to promote the development of unconstrained salient and camouflaged object detection, we construct a large-scale dataset, USC12K, which features comprehensive labels and four different scenes that cover all possible logical existence scenarios of both salient and camouflaged objects. To explicitly model the relationship between salient and camouflaged objects, we propose a model called USCNet, which introduces two distinct prompt query mechanisms for modeling inter-sample and intra-sample attribute relationships. Additionally, to assess the model's ability to distinguish between salient and camouflaged objects, we design an evaluation metric called CSCS. The proposed method achieves state-of-the-art performance across all scenes in various metrics. The code and dataset will be available at https://github.com/ssecv/USCNet.
comment: 18 pages, 11 figures
♻ ☆ Recall and Refine: A Simple but Effective Source-free Open-set Domain Adaptation Framework
Open-set Domain Adaptation (OSDA) aims to adapt a model from a labeled source domain to an unlabeled target domain, where novel classes - also referred to as target-private unknown classes - are present. Source-free Open-set Domain Adaptation (SF-OSDA) methods address OSDA without accessing labeled source data, making them particularly relevant under privacy constraints. However, SF-OSDA presents significant challenges due to distribution shifts and the introduction of novel classes. Existing SF-OSDA methods typically rely on thresholding the prediction entropy of a sample to identify it as either a known or unknown class, but fail to explicitly learn discriminative features for the target-private unknown classes. We propose Recall and Refine (RRDA), a novel SF-OSDA framework designed to address these limitations by explicitly learning features for target-private unknown classes. RRDA employs a two-stage process. First, we enhance the model's capacity to recognize unknown classes by training a target classifier with an additional decision boundary,guided by synthetic samples generated from target domain features. This enables the classifier to effectively separate known and unknown classes. Second, we adapt the entire model to the target domain, addressing both domain shifts and distinguishability to unknown classes. Any off-the-shelf source-free domain adaptation method (e.g. SHOT, AaD) can be seamlessly integrated into our framework at this stage. Extensive experiments on three benchmark datasets demonstrate that RRDA significantly outperforms existing SF-OSDA and OSDA methods.
comment: Accepted at TMLR 2025
♻ ☆ Do It Yourself: Learning Semantic Correspondence from Pseudo-Labels
Finding correspondences between semantically similar points across images and object instances is one of the everlasting challenges in computer vision. While large pre-trained vision models have recently been demonstrated as effective priors for semantic matching, they still suffer from ambiguities for symmetric objects or repeated object parts. We propose to improve semantic correspondence estimation via 3D-aware pseudo-labeling. Specifically, we train an adapter to refine off-the-shelf features using pseudo-labels obtained via 3D-aware chaining, filtering wrong labels through relaxed cyclic consistency, and 3D spherical prototype mapping constraints. While reducing the need for dataset specific annotations compared to prior work, we set a new state-of-the-art on SPair-71k by over 4% absolute gain and by over 7% against methods with similar supervision requirements. The generality of our proposed approach simplifies extension of training to other data sources, which we demonstrate in our experiments.
comment: Project page: https://genintel.github.io/DIY-SC
♻ ☆ Semantic Scene Graph for Ultrasound Image Explanation and Scanning Guidance
Understanding medical ultrasound imaging remains a long-standing challenge due to significant visual variability caused by differences in imaging and acquisition parameters. Recent advancements in large language models (LLMs) have been used to automatically generate terminology-rich summaries orientated to clinicians with sufficient physiological knowledge. Nevertheless, the increasing demand for improved ultrasound interpretability and basic scanning guidance among non-expert users, e.g., in point-of-care settings, has not yet been explored. In this study, we first introduce the scene graph (SG) for ultrasound images to explain image content to ordinary and provide guidance for ultrasound scanning. The ultrasound SG is first computed using a transformer-based one-stage method, eliminating the need for explicit object detection. To generate a graspable image explanation for ordinary, the user query is then used to further refine the abstract SG representation through LLMs. Additionally, the predicted SG is explored for its potential in guiding ultrasound scanning toward missing anatomies within the current imaging view, assisting ordinary users in achieving more standardized and complete anatomical exploration. The effectiveness of this SG-based image explanation and scanning guidance has been validated on images from the left and right neck regions, including the carotid and thyroid, across five volunteers. The results demonstrate the potential of the method to maximally democratize ultrasound by enhancing its interpretability and usability for ordinaries.
♻ ☆ Enhancing Dynamic CT Image Reconstruction with Neural Fields and Optical Flow
In this paper, we investigate image reconstruction for dynamic Computed Tomography. The motion of the target with respect to the measurement acquisition rate leads to highly resolved in time but highly undersampled in space measurements. Such problems pose a major challenge: not accounting for the dynamics of the process leads to a poor reconstruction with non-realistic motion. Variational approaches that penalize time evolution have been proposed to relate subsequent frames and improve image quality based on classical grid-based discretizations. Neural fields have emerged as a novel way to parameterize the quantity of interest using a neural network with a low-dimensional input, benefiting from being lightweight, continuous, and biased towards smooth representations. The latter property has been exploited when solving dynamic inverse problems with neural fields by minimizing a data-fidelity term only. We investigate and show the benefits of introducing explicit motion regularizers for dynamic inverse problems based on partial differential equations, namely, the optical flow equation, for the optimization of neural fields. We compare it against its unregularized counterpart and show the improvements in the reconstruction. We also compare neural fields against a grid-based solver and show that the former outperforms the latter in terms of PSNR in this task.
♻ ☆ TCDiff++: An End-to-end Trajectory-Controllable Diffusion Model for Harmonious Music-Driven Group Choreography
Music-driven dance generation has garnered significant attention due to its wide range of industrial applications, particularly in the creation of group choreography. During the group dance generation process, however, most existing methods still face three primary issues: multi-dancer collisions, single-dancer foot sliding and abrupt swapping in the generation of long group dance. In this paper, we propose TCDiff++, a music-driven end-to-end framework designed to generate harmonious group dance. Specifically, to mitigate multi-dancer collisions, we utilize a dancer positioning embedding to better maintain the relative positioning among dancers. Additionally, we incorporate a distance-consistency loss to ensure that inter-dancer distances remain within plausible ranges. To address the issue of single-dancer foot sliding, we introduce a swap mode embedding to indicate dancer swapping patterns and design a Footwork Adaptor to refine raw motion, thereby minimizing foot sliding. For long group dance generation, we present a long group diffusion sampling strategy that reduces abrupt position shifts by injecting positional information into the noisy input. Furthermore, we integrate a Sequence Decoder layer to enhance the model's ability to selectively process long sequences. Extensive experiments demonstrate that our TCDiff++ achieves state-of-the-art performance, particularly in long-duration scenarios, ensuring high-quality and coherent group dance generation.
♻ ☆ 3D Hierarchical Panoptic Segmentation in Real Orchard Environments Across Different Sensors
Crop yield estimation is a relevant problem in agriculture, because an accurate yield estimate can support farmers' decisions on harvesting or precision intervention. Robots can help to automate this process. To do so, they need to be able to perceive the surrounding environment to identify target objects such as trees and plants. In this paper, we introduce a novel approach to address the problem of hierarchical panoptic segmentation of apple orchards on 3D data from different sensors. Our approach is able to simultaneously provide semantic segmentation, instance segmentation of trunks and fruits, and instance segmentation of trees (a trunk with its fruits). This allows us to identify relevant information such as individual plants, fruits, and trunks, and capture the relationship among them, such as precisely estimate the number of fruits associated to each tree in an orchard. To efficiently evaluate our approach for hierarchical panoptic segmentation, we provide a dataset designed specifically for this task. Our dataset is recorded in Bonn, Germany, in a real apple orchard with a variety of sensors, spanning from a terrestrial laser scanner to a RGB-D camera mounted on different robots platforms. The experiments show that our approach surpasses state-of-the-art approaches in 3D panoptic segmentation in the agricultural domain, while also providing full hierarchical panoptic segmentation. Our dataset is publicly available at https://www.ipb.uni-bonn.de/data/hops/. The open-source implementation of our approach is available at https://github.com/PRBonn/hapt3D.
comment: Accepted to IROS 2025
♻ ☆ Cell Tracking according to Biological Needs -- Strong Mitosis-aware Multi-Hypothesis Tracker with Aleatoric Uncertainty
Cell tracking and segmentation assist biologists in extracting insights from large-scale microscopy time-lapse data. Driven by local accuracy metrics, current tracking approaches often suffer from a lack of long-term consistency and the ability to reconstruct lineage trees correctly. To address this issue, we introduce an uncertainty estimation technique for motion estimation frameworks and extend the multi-hypothesis tracking framework. Our uncertainty estimation lifts motion representations into probabilistic spatial densities using problem-specific test-time augmentations. Moreover, we introduce a novel mitosis-aware assignment problem formulation that allows multi-hypothesis trackers to model cell splits and to resolve false associations and mitosis detections based on long-term conflicts. In our framework, explicit biological knowledge is modeled in assignment costs. We evaluate our approach on nine competitive datasets and demonstrate that we outperform the current state-of-the-art on biologically inspired metrics substantially, achieving improvements by a factor of approximately 6 and uncover new insights into the behavior of motion estimation uncertainty.
comment: 13 pages, 4 figures, 4 tables. This work has been accepted to the IEEE for publication
♻ ☆ SA-Person: Text-Based Person Retrieval with Scene-aware Re-ranking
Text-based person retrieval aims to identify a target individual from a gallery of images based on a natural language description. It presents a significant challenge due to the complexity of real-world scenes and the ambiguity of appearance-related descriptions. Existing methods primarily emphasize appearance-based cross-modal retrieval, often neglecting the contextual information embedded within the scene, which can offer valuable complementary insights for retrieval. To address this, we introduce SCENEPERSON-13W, a large-scale dataset featuring over 100,000 scenes with rich annotations covering both pedestrian appearance and environmental cues. Based on this, we propose SA-Person, a two-stage retrieval framework. In the first stage, it performs discriminative appearance grounding by aligning textual cues with pedestrian-specific regions. In the second stage, it introduces SceneRanker, a training-free, scene-aware re-ranking method leveraging multimodal large language models to jointly reason over pedestrian appearance and the global scene context. Experiments on SCENEPERSON-13W validate the effectiveness of our framework in challenging scene-level retrieval scenarios. The code and dataset will be made publicly available.
comment: 22 pages, 7 figures. Under review
♻ ☆ Variational Supervised Contrastive Learning
Contrastive learning has proven to be highly efficient and adaptable in shaping representation spaces across diverse modalities by pulling similar samples together and pushing dissimilar ones apart. However, two key limitations persist: (1) Without explicit regulation of the embedding distribution, semantically related instances can inadvertently be pushed apart unless complementary signals guide pair selection, and (2) excessive reliance on large in-batch negatives and tailored augmentations hinders generalization. To address these limitations, we propose Variational Supervised Contrastive Learning (VarCon), which reformulates supervised contrastive learning as variational inference over latent class variables and maximizes a posterior-weighted evidence lower bound (ELBO) that replaces exhaustive pair-wise comparisons for efficient class-aware matching and grants fine-grained control over intra-class dispersion in the embedding space. Trained exclusively on image data, our experiments on CIFAR-10, CIFAR-100, ImageNet-100, and ImageNet-1K show that VarCon (1) achieves state-of-the-art performance for contrastive learning frameworks, reaching 79.36% Top-1 accuracy on ImageNet-1K and 78.29% on CIFAR-100 with a ResNet-50 encoder while converging in just 200 epochs; (2) yields substantially clearer decision boundaries and semantic organization in the embedding space, as evidenced by KNN classification, hierarchical clustering results, and transfer-learning assessments; and (3) demonstrates superior performance in few-shot learning than supervised baseline and superior robustness across various augmentation strategies.
♻ ☆ Structure-Preserving Patch Decoding for Efficient Neural Video Representation
Implicit neural representations (INRs) are the subject of extensive research, particularly in their application to modeling complex signals by mapping spatial and temporal coordinates to corresponding values. When handling videos, mapping compact inputs to entire frames or spatially partitioned patch images is an effective approach. This strategy better preserves spatial relationships, reduces computational overhead, and improves reconstruction quality compared to coordinate-based mapping. However, predicting entire frames often limits the reconstruction of high-frequency visual details. Additionally, conventional patch-based approaches based on uniform spatial partitioning tend to introduce boundary discontinuities that degrade spatial coherence. We propose a neural video representation method based on Structure-Preserving Patches (SPPs) to address such limitations. Our method separates each video frame into patch images of spatially aligned frames through a deterministic pixel-based splitting similar to PixelUnshuffle. This operation preserves the global spatial structure while allowing patch-level decoding. We train the decoder to reconstruct these structured patches, enabling a global-to-local decoding strategy that captures the global layout first and refines local details. This effectively reduces boundary artifacts and mitigates distortions from naive upsampling. Experiments on standard video datasets demonstrate that our method achieves higher reconstruction quality and better compression performance than existing INR-based baselines.
♻ ☆ StateSpaceDiffuser: Bringing Long Context to Diffusion World Models
World models have recently become promising tools for predicting realistic visuals based on actions in complex environments. However, their reliance on only a few recent observations leads them to lose track of the long-term context. Consequently, in just a few steps the generated scenes drift from what was previously observed, undermining the temporal coherence of the sequence. This limitation of the state-of-the-art world models, most of which rely on diffusion, comes from their lack of a lasting environment state. To address this problem, we introduce StateSpaceDiffuser, where a diffusion model is enabled to perform long-context tasks by integrating features from a state-space model, representing the entire interaction history. This design restores long-term memory while preserving the high-fidelity synthesis of diffusion models. To rigorously measure temporal consistency, we develop an evaluation protocol that probes a model's ability to reinstantiate seen content in extended rollouts. Comprehensive experiments show that StateSpaceDiffuser significantly outperforms a strong diffusion-only baseline, maintaining a coherent visual context for an order of magnitude more steps. It delivers consistent views in both a 2D maze navigation and a complex 3D environment. These results establish that bringing state-space representations into diffusion models is highly effective in demonstrating both visual details and long-term memory.
♻ ☆ Moderating the Generalization of Score-based Generative Model
Score-based Generative Models (SGMs) have demonstrated remarkable generalization abilities, e.g. generating unseen, but natural data. However, the greater the generalization power, the more likely the unintended generalization, and the more dangerous the abuse. Research on moderated generalization in SGMs remains limited. To fill this gap, we first examine the current 'gold standard' in Machine Unlearning (MU), i.e., re-training the model after removing the undesirable training data, and find it does not work in SGMs. Further analysis of score functions reveals that the MU 'gold standard' does not alter the original score function, which explains its ineffectiveness. Based on this insight, we propose the first Moderated Score-based Generative Model (MSGM), which introduces a novel score adjustment strategy that redirects the score function away from undesirable data during the continuous-time stochastic differential equation process. Extensive experimental results demonstrate that MSGM significantly reduces the likelihood of generating undesirable content while preserving high visual quality for normal image generation. Albeit designed for SGMs, MSGM is a general and flexible MU framework that is compatible with diverse diffusion architectures (SGM and DDPM) and training strategies (re-training and fine-tuning), and enables zero-shot transfer of the pre-trained models to downstream tasks, e.g. image inpainting and reconstruction. The code will be shared upon acceptance.
♻ ☆ Metis-RISE: RL Incentivizes and SFT Enhances Multimodal Reasoning Model Learning
Recent advancements in large language models (LLMs) have witnessed a surge in the development of advanced reasoning paradigms, which are now being integrated into multimodal large language models (MLLMs). However, existing approaches often fall short: methods solely employing reinforcement learning (RL) can struggle with sample inefficiency and activating entirely absent reasoning capabilities, while conventional pipelines that initiate with a cold-start supervised fine-tuning (SFT) phase before RL may restrict the model's exploratory capacity and face suboptimal convergence. In this work, we introduce \textbf{Metis-RISE} (\textbf{R}L \textbf{I}ncentivizes and \textbf{S}FT \textbf{E}nhances) for multimodal reasoning model learning. Unlike conventional approaches, Metis-RISE distinctively omits an initial SFT stage, beginning instead with an RL phase (e.g., using a Group Relative Policy Optimization variant) to incentivize and activate the model's latent reasoning capacity. Subsequently, the targeted SFT stage addresses two key challenges identified during RL: (1) \textit{inefficient trajectory sampling} for tasks where the model possesses but inconsistently applies correct reasoning, which we tackle using self-distilled reasoning trajectories from the RL model itself; and (2) \textit{fundamental capability absence}, which we address by injecting expert-augmented knowledge for prompts where the model entirely fails. This strategic application of RL for incentivization followed by SFT for enhancement forms the core of Metis-RISE, leading to two versions of our MLLMs (7B and 72B parameters). Evaluations on the OpenCompass Multimodal Reasoning Leaderboard demonstrate that both models achieve state-of-the-art performance among similar-sized models, with the 72B version ranking fourth overall. Please refer to our project page for open-source information.
comment: Project Page: https://github.com/MM-Thinking/Metis-RISE
♻ ☆ Self-Regulated Neurogenesis for Online Data-Incremental Learning
Neural networks often struggle with catastrophic forgetting when learning sequences of tasks or data streams, unlike humans who can continuously learn and consolidate new concepts even in the absence of explicit cues. Online data-incremental learning seeks to emulate this capability by processing each sample only once, without having access to task or stream cues at any point in time since this is more realistic compared to offline setups, where all data from novel class(es) is assumed to be readily available. However, existing methods typically rely on storing the subsets of data in memory or expanding the initial model architecture, resulting in significant computational overhead. Drawing inspiration from 'self-regulated neurogenesis'-brain's mechanism for creating specialized regions or circuits for distinct functions-we propose a novel approach SERENA which encodes each concept in a specialized network path called 'concept cell', integrated into a single over-parameterized network. Once a concept is learned, its corresponding concept cell is frozen, effectively preventing the forgetting of previously acquired information. Furthermore, we introduce two new continual learning scenarios that more closely reflect real-world conditions, characterized by gradually changing sample sizes. Experimental results show that our method not only establishes new state-of-the-art results across ten benchmarks but also remarkably surpasses offline supervised batch learning performance. The code is available at https://github.com/muratonuryildirim/serena.
comment: Published at Conference on Lifelong Learning Agents (CoLLAs) 2025
♻ ☆ Referring Expression Instance Retrieval and A Strong End-to-End Baseline
Using natural language to query visual information is a fundamental need in real-world applications. Text-Image Retrieval (TIR) retrieves a target image from a gallery based on an image-level description, while Referring Expression Comprehension (REC) localizes a target object within a given image using an instance-level description. However, real-world applications often present more complex demands. Users typically query an instance-level description across a large gallery and expect to receive both relevant image and the corresponding instance location. In such scenarios, TIR struggles with fine-grained descriptions and object-level localization, while REC is limited in its ability to efficiently search large galleries and lacks an effective ranking mechanism. In this paper, we introduce a new task called \textbf{Referring Expression Instance Retrieval (REIR)}, which supports both instance-level retrieval and localization based on fine-grained referring expressions. First, we propose a large-scale benchmark for REIR, named REIRCOCO, constructed by prompting advanced vision-language models to generate high-quality referring expressions for instances in the MSCOCO and RefCOCO datasets. Second, we present a baseline method, Contrastive Language-Instance Alignment with Relation Experts (CLARE), which employs a dual-stream architecture to address REIR in an end-to-end manner. Given a referring expression, the textual branch encodes it into a query embedding. The visual branch detects candidate objects and extracts their instance-level visual features. The most similar candidate to the query is selected for bounding box prediction. CLARE is first trained on object detection and REC datasets to establish initial grounding capabilities, then optimized via Contrastive Language-Instance Alignment (CLIA) for improved retrieval across images. We will release our code and benchmark publicly.
Machine Learning 162
☆ Whole-Body Conditioned Egocentric Video Prediction
We train models to Predict Ego-centric Video from human Actions (PEVA), given the past video and an action represented by the relative 3D body pose. By conditioning on kinematic pose trajectories, structured by the joint hierarchy of the body, our model learns to simulate how physical human actions shape the environment from a first-person point of view. We train an auto-regressive conditional diffusion transformer on Nymeria, a large-scale dataset of real-world egocentric video and body pose capture. We further design a hierarchical evaluation protocol with increasingly challenging tasks, enabling a comprehensive analysis of the model's embodied prediction and control abilities. Our work represents an initial attempt to tackle the challenges of modeling complex real-world environments and embodied agent behaviors with video prediction from the perspective of a human.
comment: Project Page: https://dannytran123.github.io/PEVA
☆ mTSBench: Benchmarking Multivariate Time Series Anomaly Detection and Model Selection at Scale
Multivariate time series anomaly detection (MTS-AD) is critical in domains like healthcare, cybersecurity, and industrial monitoring, yet remains challenging due to complex inter-variable dependencies, temporal dynamics, and sparse anomaly labels. We introduce mTSBench, the largest benchmark to date for MTS-AD and unsupervised model selection, spanning 344 labeled time series across 19 datasets and 12 diverse application domains. mTSBench evaluates 24 anomaly detection methods, including large language model (LLM)-based detectors for multivariate time series, and systematically benchmarks unsupervised model selection techniques under standardized conditions. Consistent with prior findings, our results confirm that no single detector excels across datasets, underscoring the importance of model selection. However, even state-of-the-art selection methods remain far from optimal, revealing critical gaps. mTSBench provides a unified evaluation suite to enable rigorous, reproducible comparisons and catalyze future advances in adaptive anomaly detection and robust model selection.
☆ Where to find Grokking in LLM Pretraining? Monitor Memorization-to-Generalization without Test
Grokking, i.e., test performance keeps improving long after training loss converged, has been recently witnessed in neural network training, making the mechanism of generalization and other emerging capabilities such as reasoning mysterious. While prior studies usually train small models on a few toy or highly-specific tasks for thousands of epochs, we conduct the first study of grokking on checkpoints during one-pass pretraining of a 7B large language model (LLM), i.e., OLMoE. We compute the training loss and evaluate generalization on diverse benchmark tasks, including math reasoning, code generation, and commonsense/domain-specific knowledge retrieval tasks. Our study, for the first time, verifies that grokking still happens in the pretraining of large-scale foundation models, though different data may enter grokking stages asynchronously. We further demystify grokking's "emergence of generalization" by investigating LLM internal dynamics. Specifically, we find that training samples' pathways (i.e., expert choices across layers) evolve from random, instance-specific to more structured and shareable between samples during grokking. Also, the complexity of a sample's pathway reduces despite the converged loss. These indicate a memorization-to-generalization conversion, providing a mechanistic explanation of delayed generalization. In the study, we develop two novel metrics to quantify pathway distance and the complexity of a single pathway. We show their ability to predict the generalization improvement on diverse downstream tasks. They are efficient, simple to compute and solely dependent on training data. Hence, they have practical value for pretraining, enabling us to monitor the generalization performance without finetuning and test. Theoretically, we show that more structured pathways reduce model complexity and improve the generalization bound.
☆ HalluSegBench: Counterfactual Visual Reasoning for Segmentation Hallucination Evaluation
Recent progress in vision-language segmentation has significantly advanced grounded visual understanding. However, these models often exhibit hallucinations by producing segmentation masks for objects not grounded in the image content or by incorrectly labeling irrelevant regions. Existing evaluation protocols for segmentation hallucination primarily focus on label or textual hallucinations without manipulating the visual context, limiting their capacity to diagnose critical failures. In response, we introduce HalluSegBench, the first benchmark specifically designed to evaluate hallucinations in visual grounding through the lens of counterfactual visual reasoning. Our benchmark consists of a novel dataset of 1340 counterfactual instance pairs spanning 281 unique object classes, and a set of newly introduced metrics that quantify hallucination sensitivity under visually coherent scene edits. Experiments on HalluSegBench with state-of-the-art vision-language segmentation models reveal that vision-driven hallucinations are significantly more prevalent than label-driven ones, with models often persisting in false segmentation, highlighting the need for counterfactual reasoning to diagnose grounding fidelity.
comment: Project webpage: https://plan-lab.github.io/hallusegbench/
☆ Maximal Matching Matters: Preventing Representation Collapse for Robust Cross-Modal Retrieval ACL 2025
Cross-modal image-text retrieval is challenging because of the diverse possible associations between content from different modalities. Traditional methods learn a single-vector embedding to represent semantics of each sample, but struggle to capture nuanced and diverse relationships that can exist across modalities. Set-based approaches, which represent each sample with multiple embeddings, offer a promising alternative, as they can capture richer and more diverse relationships. In this paper, we show that, despite their promise, these set-based representations continue to face issues including sparse supervision and set collapse, which limits their effectiveness. To address these challenges, we propose Maximal Pair Assignment Similarity to optimize one-to-one matching between embedding sets which preserve semantic diversity within the set. We also introduce two loss functions to further enhance the representations: Global Discriminative Loss to enhance distinction among embeddings, and Intra-Set Divergence Loss to prevent collapse within each set. Our method achieves state-of-the-art performance on MS-COCO and Flickr30k without relying on external data.
comment: Accepted at the 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025 Main)
☆ Exploring the Design Space of 3D MLLMs for CT Report Generation
Multimodal Large Language Models (MLLMs) have emerged as a promising way to automate Radiology Report Generation (RRG). In this work, we systematically investigate the design space of 3D MLLMs, including visual input representation, projectors, Large Language Models (LLMs), and fine-tuning techniques for 3D CT report generation. We also introduce two knowledge-based report augmentation methods that improve performance on the GREEN score by up to 10\%, achieving the 2nd place on the MICCAI 2024 AMOS-MM challenge. Our results on the 1,687 cases from the AMOS-MM dataset show that RRG is largely independent of the size of LLM under the same training protocol. We also show that larger volume size does not always improve performance if the original ViT was pre-trained on a smaller volume size. Lastly, we show that using a segmentation mask along with the CT volume improves performance. The code is publicly available at https://github.com/bowang-lab/AMOS-MM-Solution
☆ Gaussian Invariant Markov Chain Monte Carlo
We develop sampling methods, which consist of Gaussian invariant versions of random walk Metropolis (RWM), Metropolis adjusted Langevin algorithm (MALA) and second order Hessian or Manifold MALA. Unlike standard RWM and MALA we show that Gaussian invariant sampling can lead to ergodic estimators with improved statistical efficiency. This is due to a remarkable property of Gaussian invariance that allows us to obtain exact analytical solutions to the Poisson equation for Gaussian targets. These solutions can be used to construct efficient and easy to use control variates for variance reduction of estimators under any intractable target. We demonstrate the new samplers and estimators in several examples, including high dimensional targets in latent Gaussian models where we compare against several advanced methods and obtain state-of-the-art results. We also provide theoretical results regarding geometric ergodicity, and an optimal scaling analysis that shows the dependence of the optimal acceptance rate on the Gaussianity of the target.
comment: 29, 2 figures
☆ skLEP: A Slovak General Language Understanding Benchmark ACL 2025
In this work, we introduce skLEP, the first comprehensive benchmark specifically designed for evaluating Slovak natural language understanding (NLU) models. We have compiled skLEP to encompass nine diverse tasks that span token-level, sentence-pair, and document-level challenges, thereby offering a thorough assessment of model capabilities. To create this benchmark, we curated new, original datasets tailored for Slovak and meticulously translated established English NLU resources. Within this paper, we also present the first systematic and extensive evaluation of a wide array of Slovak-specific, multilingual, and English pre-trained language models using the skLEP tasks. Finally, we also release the complete benchmark data, an open-source toolkit facilitating both fine-tuning and evaluation of models, and a public leaderboard at https://github.com/slovak-nlp/sklep in the hopes of fostering reproducibility and drive future research in Slovak NLU.
comment: ACL 2025 Findings
☆ Process mining-driven modeling and simulation to enhance fault diagnosis in cyber-physical systems
Fault diagnosis in Cyber-Physical Systems (CPSs) is essential for ensuring system dependability and operational efficiency by accurately detecting anomalies and identifying their root causes. However, the manual modeling of faulty behaviors often demands extensive domain expertise and produces models that are complex, error-prone, and difficult to interpret. To address this challenge, we present a novel unsupervised fault diagnosis methodology that integrates collective anomaly detection in multivariate time series, process mining, and stochastic simulation. Initially, collective anomalies are detected from low-level sensor data using multivariate time-series analysis. These anomalies are then transformed into structured event logs, enabling the discovery of interpretable process models through process mining. By incorporating timing distributions into the extracted Petri nets, the approach supports stochastic simulation of faulty behaviors, thereby enhancing root cause analysis and behavioral understanding. The methodology is validated using the Robotic Arm Dataset (RoAD), a widely recognized benchmark in smart manufacturing. Experimental results demonstrate its effectiveness in modeling, simulating, and classifying faulty behaviors in CPSs. This enables the creation of comprehensive fault dictionaries that support predictive maintenance and the development of digital twins for industrial environments.
☆ Devising a solution to the problems of Cancer awareness in Telangana
According to the data, the percent of women who underwent screening for cervical cancer, breast and oral cancer in Telangana in the year 2020 was 3.3 percent, 0.3 percent and 2.3 percent respectively. Although early detection is the only way to reduce morbidity and mortality, people have very low awareness about cervical and breast cancer signs and symptoms and screening practices. We developed an ML classification model to predict if a person is susceptible to breast or cervical cancer based on demographic factors. We devised a system to provide suggestions for the nearest hospital or Cancer treatment centres based on the users location or address. In addition to this, we can integrate the health card to maintain medical records of all individuals and conduct awareness drives and campaigns. For ML classification models, we used decision tree classification and support vector classification algorithms for cervical cancer susceptibility and breast cancer susceptibility respectively. Thus, by devising this solution we come one step closer to our goal which is spreading cancer awareness, thereby, decreasing the cancer mortality and increasing cancer literacy among the people of Telangana.
☆ Towards Reliable Detection of Empty Space: Conditional Marked Point Processes for Object Detection
Deep neural networks have set the state-of-the-art in computer vision tasks such as bounding box detection and semantic segmentation. Object detectors and segmentation models assign confidence scores to predictions, reflecting the model's uncertainty in object detection or pixel-wise classification. However, these confidence estimates are often miscalibrated, as their architectures and loss functions are tailored to task performance rather than probabilistic foundation. Even with well calibrated predictions, object detectors fail to quantify uncertainty outside detected bounding boxes, i.e., the model does not make a probability assessment of whether an area without detected objects is truly free of obstacles. This poses a safety risk in applications such as automated driving, where uncertainty in empty areas remains unexplored. In this work, we propose an object detection model grounded in spatial statistics. Bounding box data matches realizations of a marked point process, commonly used to describe the probabilistic occurrence of spatial point events identified as bounding box centers, where marks are used to describe the spatial extension of bounding boxes and classes. Our statistical framework enables a likelihood-based training and provides well-defined confidence estimates for whether a region is drivable, i.e., free of objects. We demonstrate the effectiveness of our method through calibration assessments and evaluation of performance.
comment: 15 pages, 4 figures, 3 tables
☆ Evaluation of Traffic Signals for Daily Traffic Pattern
The turning movement count data is crucial for traffic signal design, intersection geometry planning, traffic flow, and congestion analysis. This work proposes three methods called dynamic, static, and hybrid configuration for TMC-based traffic signals. A vision-based tracking system is developed to estimate the TMC of six intersections in Las Vegas using traffic cameras. The intersection design, route (e.g. vehicle movement directions), and signal configuration files with compatible formats are synthesized and imported into Simulation of Urban MObility for signal evaluation with realistic data. The initial experimental results based on estimated waiting times indicate that the cycle time of 90 and 120 seconds works best for all intersections. In addition, four intersections show better performance for dynamic signal timing configuration, and the other two with lower performance have a lower ratio of total vehicle count to total lanes of the intersection leg. Since daily traffic flow often exhibits a bimodal pattern, we propose a hybrid signal method that switches between dynamic and static methods, adapting to peak and off-peak traffic conditions for improved flow management. So, a built-in traffic generator module creates vehicle routes for 4 hours, including peak hours, and a signal design module produces signal schedule cycles according to static, dynamic, and hybrid methods. Vehicle count distributions are weighted differently for each zone (i.e., West, North, East, South) to generate diverse traffic patterns. The extended experimental results for 6 intersections with 4 hours of simulation time imply that zone-based traffic pattern distributions affect signal design selection. Although the static method works great for evenly zone-based traffic distribution, the hybrid method works well for highly weighted traffic at intersection pairs of the West-East and North-South zones.
☆ Optimising 4th-Order Runge-Kutta Methods: A Dynamic Heuristic Approach for Efficiency and Low Storage
Extended Stability Runge-Kutta (ESRK) methods are crucial for solving large-scale computational problems in science and engineering, including weather forecasting, aerodynamic analysis, and complex biological modelling. However, balancing accuracy, stability, and computational efficiency remains challenging, particularly for high-order, low-storage schemes. This study introduces a hybrid Genetic Algorithm (GA) and Reinforcement Learning (RL) approach for automated heuristic discovery, optimising low-storage ESRK methods. Unlike traditional approaches that rely on manually designed heuristics or exhaustive numerical searches, our method leverages GA-driven mutations for search-space exploration and an RL-inspired state transition mechanism to refine heuristic selection dynamically. This enables systematic parameter reduction, preserving fourth-order accuracy while significantly improving computational efficiency.The proposed GA-RL heuristic optimisation framework is validated through rigorous testing on benchmark problems, including the 1D and 2D Brusselator systems and the steady-state Navier-Stokes equations. The best-performing heuristic achieves a 25\% reduction in IPOPT runtime compared to traditional ESRK optimisation processes while maintaining numerical stability and accuracy. These findings demonstrate the potential of adaptive heuristic discovery to improve resource efficiency in high-fidelity simulations and broaden the applicability of low-storage Runge-Kutta methods in real-world computational fluid dynamics, physics simulations, and other demanding fields. This work establishes a new paradigm in heuristic optimisation for numerical methods, opening pathways for further exploration using Deep RL and AutoML-based heuristic search
☆ Aligning Spoken Dialogue Models from User Interactions ICML 2025
We propose a novel preference alignment framework for improving spoken dialogue models on real-time conversations from user interactions. Current preference learning methods primarily focus on text-based language models, and are not directly suited to the complexities of real-time speech interactions, with richer dynamics (e.g. interruption, interjection) and no explicit segmentation between speaker turns.We create a large-scale dataset of more than 150,000 preference pairs from raw multi-turn speech conversations, annotated with AI feedback, to cover preferences over both linguistic content and temporal context variations. We leverage offline alignment methods to finetune a full-duplex autoregressive speech-to-speech model. Extensive experiments demonstrate that feedback on generic conversations can be consistently effective in improving spoken dialogue models to produce more factual, safer and more contextually aligned interactions. We deploy the finetuned model and conduct holistic human evaluations to assess the impact beyond single-turn conversations. Our findings shed light on the importance of a well-calibrated balance among various dynamics, crucial for natural real-time speech dialogue systems.
comment: Accepted at ICML 2025
☆ A Keyword-Based Technique to Evaluate Broad Question Answer Script
Evaluation is the method of assessing and determining the educational system through various techniques such as verbal or viva-voice test, subjective or objective written test. This paper presents an efficient solution to evaluate the subjective answer script electronically. In this paper, we proposed and implemented an integrated system that examines and evaluates the written answer script. This article focuses on finding the keywords from the answer script and then compares them with the keywords that have been parsed from both open and closed domain. The system also checks the grammatical and spelling errors in the answer script. Our proposed system tested with answer scripts of 100 students and gives precision score 0.91.
comment: ACM Conference Proceedings (9 Pages)
☆ Wild refitting for black box prediction
We describe and analyze a computionally efficient refitting procedure for computing high-probability upper bounds on the instance-wise mean-squared prediction error of penalized nonparametric estimates based on least-squares minimization. Requiring only a single dataset and black box access to the prediction method, it consists of three steps: computing suitable residuals, symmetrizing and scaling them with a pre-factor $\rho$, and using them to define and solve a modified prediction problem recentered at the current estimate. We refer to it as wild refitting, since it uses Rademacher residual symmetrization as in a wild bootstrap variant. Under relatively mild conditions allowing for noise heterogeneity, we establish a high probability guarantee on its performance, showing that the wild refit with a suitably chosen wild noise scale $\rho$ gives an upper bound on prediction error. This theoretical analysis provides guidance into the design of such procedures, including how the residuals should be formed, the amount of noise rescaling in the wild sub-problem needed for upper bounds, and the local stability properties of the block-box procedure. We illustrate the applicability of this procedure to various problems, including non-rigid structure-from-motion recovery with structured matrix penalties; plug-and-play image restoration with deep neural network priors; and randomized sketching with kernel methods.
☆ Towards an Optimal Control Perspective of ResNet Training ICML 2025
We propose a training formulation for ResNets reflecting an optimal control problem that is applicable for standard architectures and general loss functions. We suggest bridging both worlds via penalizing intermediate outputs of hidden states corresponding to stage cost terms in optimal control. For standard ResNets, we obtain intermediate outputs by propagating the state through the subsequent skip connections and the output layer. We demonstrate that our training dynamic biases the weights of the unnecessary deeper residual layers to vanish. This indicates the potential for a theory-grounded layer pruning strategy.
comment: Accepted for presentation at the High-dimensional Learning Dynamics (HiLD) workshop at ICML 2025
☆ A Comprehensive Dataset for Underground Miner Detection in Diverse Scenario
Underground mining operations face significant safety challenges that make emergency response capabilities crucial. While robots have shown promise in assisting with search and rescue operations, their effectiveness depends on reliable miner detection capabilities. Deep learning algorithms offer potential solutions for automated miner detection, but require comprehensive training datasets, which are currently lacking for underground mining environments. This paper presents a novel thermal imaging dataset specifically designed to enable the development and validation of miner detection systems for potential emergency applications. We systematically captured thermal imagery of various mining activities and scenarios to create a robust foundation for detection algorithms. To establish baseline performance metrics, we evaluated several state-of-the-art object detection algorithms including YOLOv8, YOLOv10, YOLO11, and RT-DETR on our dataset. While not exhaustive of all possible emergency situations, this dataset serves as a crucial first step toward developing reliable thermal-based miner detection systems that could eventually be deployed in real emergency scenarios. This work demonstrates the feasibility of using thermal imaging for miner detection and establishes a foundation for future research in this critical safety application.
☆ Learnable Adaptive Time-Frequency Representation via Differentiable Short-Time Fourier Transform
The short-time Fourier transform (STFT) is widely used for analyzing non-stationary signals. However, its performance is highly sensitive to its parameters, and manual or heuristic tuning often yields suboptimal results. To overcome this limitation, we propose a unified differentiable formulation of the STFT that enables gradient-based optimization of its parameters. This approach addresses the limitations of traditional STFT parameter tuning methods, which often rely on computationally intensive discrete searches. It enables fine-tuning of the time-frequency representation (TFR) based on any desired criterion. Moreover, our approach integrates seamlessly with neural networks, allowing joint optimization of the STFT parameters and network weights. The efficacy of the proposed differentiable STFT in enhancing TFRs and improving performance in downstream tasks is demonstrated through experiments on both simulated and real-world data.
comment: DSTFT, STFT, spectrogram, time-frequency, IEEE Transactions on Signal Processing, 10 pages
☆ Deception Detection in Dyadic Exchanges Using Multimodal Machine Learning: A Study on a Swedish Cohort
This study investigates the efficacy of using multimodal machine learning techniques to detect deception in dyadic interactions, focusing on the integration of data from both the deceiver and the deceived. We compare early and late fusion approaches, utilizing audio and video data - specifically, Action Units and gaze information - across all possible combinations of modalities and participants. Our dataset, newly collected from Swedish native speakers engaged in truth or lie scenarios on emotionally relevant topics, serves as the basis for our analysis. The results demonstrate that incorporating both speech and facial information yields superior performance compared to single-modality approaches. Moreover, including data from both participants significantly enhances deception detection accuracy, with the best performance (71%) achieved using a late fusion strategy applied to both modalities and participants. These findings align with psychological theories suggesting differential control of facial and vocal expressions during initial interactions. As the first study of its kind on a Scandinavian cohort, this research lays the groundwork for future investigations into dyadic interactions, particularly within psychotherapy settings.
comment: 40 pages, 2 figures, 2 tables. To be submitted in Behavior Research Methods
☆ Flow-Based Single-Step Completion for Efficient and Expressive Policy Learning
Generative models such as diffusion and flow-matching offer expressive policies for offline reinforcement learning (RL) by capturing rich, multimodal action distributions, but their iterative sampling introduces high inference costs and training instability due to gradient propagation across sampling steps. We propose the \textit{Single-Step Completion Policy} (SSCP), a generative policy trained with an augmented flow-matching objective to predict direct completion vectors from intermediate flow samples, enabling accurate, one-shot action generation. In an off-policy actor-critic framework, SSCP combines the expressiveness of generative models with the training and inference efficiency of unimodal policies, without requiring long backpropagation chains. Our method scales effectively to offline, offline-to-online, and online RL settings, offering substantial gains in speed and adaptability over diffusion-based baselines. We further extend SSCP to goal-conditioned RL, enabling flat policies to exploit subgoal structures without explicit hierarchical inference. SSCP achieves strong results across standard offline RL and behavior cloning benchmarks, positioning it as a versatile, expressive, and efficient framework for deep RL and sequential decision-making.
☆ Distributed Cross-Channel Hierarchical Aggregation for Foundation Models
Vision-based scientific foundation models hold significant promise for advancing scientific discovery and innovation. This potential stems from their ability to aggregate images from diverse sources such as varying physical groundings or data acquisition systems and to learn spatio-temporal correlations using transformer architectures. However, tokenizing and aggregating images can be compute-intensive, a challenge not fully addressed by current distributed methods. In this work, we introduce the Distributed Cross-Channel Hierarchical Aggregation (D-CHAG) approach designed for datasets with a large number of channels across image modalities. Our method is compatible with any model-parallel strategy and any type of vision transformer architecture, significantly improving computational efficiency. We evaluated D-CHAG on hyperspectral imaging and weather forecasting tasks. When integrated with tensor parallelism and model sharding, our approach achieved up to a 75% reduction in memory usage and more than doubled sustained throughput on up to 1,024 AMD GPUs on the Frontier Supercomputer.
☆ Scalable Bayesian Low-Rank Adaptation of Large Language Models via Stochastic Variational Subspace Inference
Despite their widespread use, large language models (LLMs) are known to hallucinate incorrect information and be poorly calibrated. This makes the uncertainty quantification of these models of critical importance, especially in high-stakes domains, such as autonomy and healthcare. Prior work has made Bayesian deep learning-based approaches to this problem more tractable by performing inference over the low-rank adaptation (LoRA) parameters of a fine-tuned model. While effective, these approaches struggle to scale to larger LLMs due to requiring further additional parameters compared to LoRA. In this work we present $\textbf{Scala}$ble $\textbf{B}$ayesian $\textbf{L}$ow-Rank Adaptation via Stochastic Variational Subspace Inference (ScalaBL). We perform Bayesian inference in an $r$-dimensional subspace, for LoRA rank $r$. By repurposing the LoRA parameters as projection matrices, we are able to map samples from this subspace into the full weight space of the LLM. This allows us to learn all the parameters of our approach using stochastic variational inference. Despite the low dimensionality of our subspace, we are able to achieve competitive performance with state-of-the-art approaches while only requiring ${\sim}1000$ additional parameters. Furthermore, it allows us to scale up to the largest Bayesian LLM to date, with four times as a many base parameters as prior work.
comment: Accepted at UAI 2025
☆ Early Stopping Tabular In-Context Learning ICML
Tabular foundation models have shown strong performance across various tabular learning tasks via in-context learning, offering robust generalization without any downstream finetuning. However, their inference-time costs remain high, particularly for larger datasets. To address this, we propose early-stopping the in-context learning process. We achieve this by dynamically evaluating whether to stop in-context learning after each Transformer encoder layer. Once stopped, we decode the embedding using a pre-trained layer-wise decoder. Experiments across 34 small classification tasks size show that early stopping in-context learning accelerates inference by up to x1.3 with negligible degradation in predictive performance. To assess scalability, we further evaluate our method on five larger classification tasks, achieving speedups of up to x2.2. Our results demonstrate the potential of early exiting as an effective and practical strategy for improving the efficiency of tabular in-context learning.
comment: ICML Workshop Paper
☆ Temporal-Aware Graph Attention Network for Cryptocurrency Transaction Fraud Detection
Cryptocurrency transaction fraud detection faces the dual challenges of increasingly complex transaction patterns and severe class imbalance. Traditional methods rely on manual feature engineering and struggle to capture temporal and structural dependencies in transaction networks. This paper proposes an Augmented Temporal-aware Graph Attention Network (ATGAT) that enhances detection performance through three modules: (1) designing an advanced temporal embedding module that fuses multi-scale time difference features with periodic position encoding; (2) constructing a temporal-aware triple attention mechanism that jointly optimizes structural, temporal, and global context attention; (3) employing weighted BCE loss to address class imbalance. Experiments on the Elliptic++ cryptocurrency dataset demonstrate that ATGAT achieves an AUC of 0.9130, representing a 9.2% improvement over the best traditional method XGBoost, 12.0% over GCN, and 10.0% over standard GAT. This method not only validates the enhancement effect of temporal awareness and triple attention mechanisms on graph neural networks, but also provides financial institutions with more reliable fraud detection tools, with its design principles generalizable to other temporal graph anomaly detection tasks.
☆ Pay Attention to Small Weights
Finetuning large pretrained neural networks is known to be resource-intensive, both in terms of memory and computational cost. To mitigate this, a common approach is to restrict training to a subset of the model parameters. By analyzing the relationship between gradients and weights during finetuning, we observe a notable pattern: large gradients are often associated with small-magnitude weights. This correlation is more pronounced in finetuning settings than in training from scratch. Motivated by this observation, we propose NANOADAM, which dynamically updates only the small-magnitude weights during finetuning and offers several practical advantages: first, this criterion is gradient-free -- the parameter subset can be determined without gradient computation; second, it preserves large-magnitude weights, which are likely to encode critical features learned during pretraining, thereby reducing the risk of catastrophic forgetting; thirdly, it permits the use of larger learning rates and consistently leads to better generalization performance in experiments. We demonstrate this for both NLP and vision tasks.
☆ MAx-DNN: Multi-Level Arithmetic Approximation for Energy-Efficient DNN Hardware Accelerators
Nowadays, the rapid growth of Deep Neural Network (DNN) architectures has established them as the defacto approach for providing advanced Machine Learning tasks with excellent accuracy. Targeting low-power DNN computing, this paper examines the interplay of fine-grained error resilience of DNN workloads in collaboration with hardware approximation techniques, to achieve higher levels of energy efficiency. Utilizing the state-of-the-art ROUP approximate multipliers, we systematically explore their fine-grained distribution across the network according to our layer-, filter-, and kernel-level approaches, and examine their impact on accuracy and energy. We use the ResNet-8 model on the CIFAR-10 dataset to evaluate our approximations. The proposed solution delivers up to 54% energy gains in exchange for up to 4% accuracy loss, compared to the baseline quantized model, while it provides 2x energy gains with better accuracy versus the state-of-the-art DNN approximations.
comment: Presented at the 13th IEEE LASCAS Conference
☆ rQdia: Regularizing Q-Value Distributions With Image Augmentation
rQdia regularizes Q-value distributions with augmented images in pixel-based deep reinforcement learning. With a simple auxiliary loss, that equalizes these distributions via MSE, rQdia boosts DrQ and SAC on 9/12 and 10/12 tasks respectively in the MuJoCo Continuous Control Suite from pixels, and Data-Efficient Rainbow on 18/26 Atari Arcade environments. Gains are measured in both sample efficiency and longer-term training. Moreover, the addition of rQdia finally propels model-free continuous control from pixels over the state encoding baseline.
☆ SMMILE: An Expert-Driven Benchmark for Multimodal Medical In-Context Learning
Multimodal in-context learning (ICL) remains underexplored despite significant potential for domains such as medicine. Clinicians routinely encounter diverse, specialized tasks requiring adaptation from limited examples, such as drawing insights from a few relevant prior cases or considering a constrained set of differential diagnoses. While multimodal large language models (MLLMs) have shown advances in medical visual question answering (VQA), their ability to learn multimodal tasks from context is largely unknown. We introduce SMMILE, the first expert-driven multimodal ICL benchmark for medical tasks. Eleven medical experts curated problems, each including a multimodal query and multimodal in-context examples as task demonstrations. SMMILE encompasses 111 problems (517 question-image-answer triplets) covering 6 medical specialties and 13 imaging modalities. We further introduce SMMILE++, an augmented variant with 1038 permuted problems. A comprehensive evaluation of 15 MLLMs demonstrates that most models exhibit moderate to poor multimodal ICL ability in medical tasks. In open-ended evaluations, ICL contributes only 8% average improvement over zero-shot on SMMILE and 9.4% on SMMILE++. We observe a susceptibility for irrelevant in-context examples: even a single noisy or irrelevant example can degrade performance by up to 9.5%. Moreover, example ordering exhibits a recency bias, i.e., placing the most relevant example last can lead to substantial performance improvements by up to 71%. Our findings highlight critical limitations and biases in current MLLMs when learning multimodal medical tasks from context.
☆ Lipschitz Bounds for Persistent Laplacian Eigenvalues under One-Simplex Insertions
Persistent Laplacians are matrix operators that track how the shape and structure of data transform across scales and are popularly adopted in biology, physics, and machine learning. Their eigenvalues are concise descriptors of geometric and topological features in a filtration. Although earlier work established global algebraic stability for these operators, the precise change in a single eigenvalue when one simplex, such as a vertex, edge, or triangle, is added has remained unknown. This is important because downstream tools, including heat-kernel signatures and spectral neural networks, depend directly on these eigenvalues. We close this gap by proving a uniform Lipschitz bound: after inserting one simplex, every up-persistent Laplacian eigenvalue can vary by at most twice the Euclidean norm of that simplex's boundary, independent of filtration scale and complex size. This result delivers the first eigenvalue-level robustness guarantee for spectral topological data analysis. It guarantees that spectral features remain stable under local updates and enables reliable error control in dynamic data settings.
comment: 16 pages, 4 figures
☆ DynamicBench: Evaluating Real-Time Report Generation in Large Language Models
Traditional benchmarks for large language models (LLMs) typically rely on static evaluations through storytelling or opinion expression, which fail to capture the dynamic requirements of real-time information processing in contemporary applications. To address this limitation, we present DynamicBench, a benchmark designed to evaluate the proficiency of LLMs in storing and processing up-to-the-minute data. DynamicBench utilizes a dual-path retrieval pipeline, integrating web searches with local report databases. It necessitates domain-specific knowledge, ensuring accurate responses report generation within specialized fields. By evaluating models in scenarios that either provide or withhold external documents, DynamicBench effectively measures their capability to independently process recent information or leverage contextual enhancements. Additionally, we introduce an advanced report generation system adept at managing dynamic information synthesis. Our experimental results confirm the efficacy of our approach, with our method achieving state-of-the-art performance, surpassing GPT4o in document-free and document-assisted scenarios by 7.0% and 5.8%, respectively. The code and data will be made publicly available.
☆ AGTCNet: A Graph-Temporal Approach for Principled Motor Imagery EEG Classification
Brain-computer interface (BCI) technology utilizing electroencephalography (EEG) marks a transformative innovation, empowering motor-impaired individuals to engage with their environment on equal footing. Despite its promising potential, developing subject-invariant and session-invariant BCI systems remains a significant challenge due to the inherent complexity and variability of neural activity across individuals and over time, compounded by EEG hardware constraints. While prior studies have sought to develop robust BCI systems, existing approaches remain ineffective in capturing the intricate spatiotemporal dependencies within multichannel EEG signals. This study addresses this gap by introducing the attentive graph-temporal convolutional network (AGTCNet), a novel graph-temporal model for motor imagery EEG (MI-EEG) classification. Specifically, AGTCNet leverages the topographic configuration of EEG electrodes as an inductive bias and integrates graph convolutional attention network (GCAT) to jointly learn expressive spatiotemporal EEG representations. The proposed model significantly outperformed existing MI-EEG classifiers, achieving state-of-the-art performance while utilizing a compact architecture, underscoring its effectiveness and practicality for BCI deployment. With a 49.87% reduction in model size, 64.65% faster inference time, and shorter input EEG signal, AGTCNet achieved a moving average accuracy of 66.82% for subject-independent classification on the BCI Competition IV Dataset 2a, which further improved to 82.88% when fine-tuned for subject-specific classification. On the EEG Motor Movement/Imagery Dataset, AGTCNet achieved moving average accuracies of 64.14% and 85.22% for 4-class and 2-class subject-independent classifications, respectively, with further improvements to 72.13% and 90.54% for subject-specific classifications.
comment: This work has been submitted to the IEEE for possible publication
☆ Latent Prototype Routing: Achieving Near-Perfect Load Balancing in Mixture-of-Experts
Mixture-of-Experts (MoE) architectures have emerged as a key strategy for scaling large language models (LLMs) efficiently. However, current MoE systems suffer from severe load imbalance, where only a small subset of experts is consistently activated during training and inference, leading to significant underutilization of model capacity and computational resources. In this work, we revisit expert routing through a clustering perspective and propose Latent Prototype Routing (LPR), a novel routing framework that generalizes existing approaches while promoting balanced expert utilization without compromising downstream performance. Extensive experiments across multiple open-source MoE models -- including DeepSeek-V3, Qwen3-MoE, and Mixtral -- demonstrate that LPR reduces the Gini coefficient of expert load from 0.70 to 0.035 on average, improves the min-max expert load ratio from 1e-6 to 0.70, achieving near-perfect load balancing.
comment: 15 pages,4 figures
☆ Stochastic Quantum Spiking Neural Networks with Quantum Memory and Local Learning
Neuromorphic and quantum computing have recently emerged as promising paradigms for advancing artificial intelligence, each offering complementary strengths. Neuromorphic systems built on spiking neurons excel at processing time-series data efficiently through sparse, event-driven computation, consuming energy only upon input events. Quantum computing, on the other hand, leverages superposition and entanglement to explore feature spaces that are exponentially large in the number of qubits. Hybrid approaches combining these paradigms have begun to show potential, but existing quantum spiking models have important limitations. Notably, prior quantum spiking neuron implementations rely on classical memory mechanisms on single qubits, requiring repeated measurements to estimate firing probabilities, and they use conventional backpropagation on classical simulators for training. Here we propose a stochastic quantum spiking (SQS) neuron model that addresses these challenges. The SQS neuron uses multi-qubit quantum circuits to realize a spiking unit with internal quantum memory, enabling event-driven probabilistic spike generation in a single shot. Furthermore, we outline how networks of SQS neurons -- dubbed SQS neural networks (SQSNNs) -- can be trained via a hardware-friendly local learning rule, eliminating the need for global classical backpropagation. The proposed SQSNN model fuses the time-series efficiency of neuromorphic computing with the exponentially large inner state space of quantum computing, paving the way for quantum spiking neural networks that are modular, scalable, and trainable on quantum hardware.
☆ On Uniform Weighted Deep Polynomial approximation
It is a classical result in rational approximation theory that certain non-smooth or singular functions, such as $|x|$ and $x^{1/p}$, can be efficiently approximated using rational functions with root-exponential convergence in terms of degrees of freedom \cite{Sta, GN}. In contrast, polynomial approximations admit only algebraic convergence by Jackson's theorem \cite{Lub2}. Recent work shows that composite polynomial architectures can recover exponential approximation rates even without smoothness \cite{KY}. In this work, we introduce and analyze a class of weighted deep polynomial approximants tailored for functions with asymmetric behavior-growing unbounded on one side and decaying on the other. By multiplying a learnable deep polynomial with a one-sided weight, we capture both local non-smoothness and global growth. We show numerically that this framework outperforms Taylor, Chebyshev, and standard deep polynomial approximants, even when all use the same number of parameters. To optimize these approximants in practice, we propose a stable graph-based parameterization strategy building on \cite{Jar}.
☆ Exploring Adapter Design Tradeoffs for Low Resource Music Generation
Fine-tuning large-scale music generation models, such as MusicGen and Mustango, is a computationally expensive process, often requiring updates to billions of parameters and, therefore, significant hardware resources. Parameter-Efficient Fine-Tuning (PEFT) techniques, particularly adapter-based methods, have emerged as a promising alternative, enabling adaptation with minimal trainable parameters while preserving model performance. However, the design choices for adapters, including their architecture, placement, and size, are numerous, and it is unclear which of these combinations would produce optimal adapters and why, for a given case of low-resource music genre. In this paper, we attempt to answer this question by studying various adapter configurations for two AI music models, MusicGen and Mustango, on two genres: Hindustani Classical and Turkish Makam music. Our findings reveal distinct trade-offs: convolution-based adapters excel in capturing fine-grained local musical details such as ornamentations and short melodic phrases, while transformer-based adapters better preserve long-range dependencies crucial for structured improvisation. Additionally, we analyze computational resource requirements across different adapter scales, demonstrating how mid-sized adapters (40M parameters) achieve an optimal balance between expressivity and quality. Furthermore, we find that Mustango, a diffusion-based model, generates more diverse outputs with better adherence to the description in the input prompt while lacking in providing stability in notes, rhythm alignment, and aesthetics. Also, it is computationally intensive and requires significantly more time to train. In contrast, autoregressive models like MusicGen offer faster training and are more efficient, and can produce better quality output in comparison, but have slightly higher redundancy in their generations.
comment: 9 pages, 5 figures
☆ Improved seeding strategies for k-means and k-GMM
We revisit the randomized seeding techniques for k-means clustering and k-GMM (Gaussian Mixture model fitting with Expectation-Maximization), formalizing their three key ingredients: the metric used for seed sampling, the number of candidate seeds, and the metric used for seed selection. This analysis yields novel families of initialization methods exploiting a lookahead principle--conditioning the seed selection to an enhanced coherence with the final metric used to assess the algorithm, and a multipass strategy to tame down the effect of randomization. Experiments show a consistent constant factor improvement over classical contenders in terms of the final metric (SSE for k-means, log-likelihood for k-GMM), at a modest overhead. In particular, for k-means, our methods improve on the recently designed multi-swap strategy, which was the first one to outperform the greedy k-means++ seeding. Our experimental analysis also shed light on subtle properties of k-means often overlooked, including the (lack of) correlations between the SSE upon seeding and the final SSE, the variance reduction phenomena observed in iterative seeding methods, and the sensitivity of the final SSE to the pool size for greedy methods. Practically, our most effective seeding methods are strong candidates to become one of the--if not the--standard techniques. From a theoretical perspective, our formalization of seeding opens the door to a new line of analytical approaches.
comment: 13 pages
☆ Small Encoders Can Rival Large Decoders in Detecting Groundedness
Augmenting large language models (LLMs) with external context significantly improves their performance in natural language processing (NLP) tasks. However, LLMs struggle to answer queries reliably when the provided context lacks information, often resorting to ungrounded speculation or internal knowledge. Groundedness - generating responses strictly supported by the context - is essential for ensuring factual consistency and trustworthiness. This study focuses on detecting whether a given query is grounded in a document provided in context before the costly answer generation by LLMs. Such a detection mechanism can significantly reduce both inference time and resource consumption. We show that lightweight, task specific encoder models such as RoBERTa and NomicBERT, fine-tuned on curated datasets, can achieve accuracy comparable to state-of-the-art LLMs, such as Llama3 8B and GPT4o, in groundedness detection while reducing inference latency by orders of magnitude. The code is available at : https://github.com/chandarlab/Hallucinate-less
☆ Hyperspherical Variational Autoencoders Using Efficient Spherical Cauchy Distribution
We propose a novel variational autoencoder (VAE) architecture that employs a spherical Cauchy (spCauchy) latent distribution. Unlike traditional Gaussian latent spaces or the widely used von Mises-Fisher (vMF) distribution, spCauchy provides a more natural hyperspherical representation of latent variables, better capturing directional data while maintaining flexibility. Its heavy-tailed nature prevents over-regularization, ensuring efficient latent space utilization while offering a more expressive representation. Additionally, spCauchy circumvents the numerical instabilities inherent to vMF, which arise from computing normalization constants involving Bessel functions. Instead, it enables a fully differentiable and efficient reparameterization trick via M\"obius transformations, allowing for stable and scalable training. The KL divergence can be computed through a rapidly converging power series, eliminating concerns of underflow or overflow associated with evaluation of ratios of hypergeometric functions. These properties make spCauchy a compelling alternative for VAEs, offering both theoretical advantages and practical efficiency in high-dimensional generative modeling.
☆ DiLoCoX: A Low-Communication Large-Scale Training Framework for Decentralized Cluster
The distributed training of foundation models, particularly large language models (LLMs), demands a high level of communication. Consequently, it is highly dependent on a centralized cluster with fast and reliable interconnects. Can we conduct training on slow networks and thereby unleash the power of decentralized clusters when dealing with models exceeding 100 billion parameters? In this paper, we propose DiLoCoX, a low-communication large-scale decentralized cluster training framework. It combines Pipeline Parallelism with Dual Optimizer Policy, One-Step-Delay Overlap of Communication and Local Training, and an Adaptive Gradient Compression Scheme. This combination significantly improves the scale of parameters and the speed of model pre-training. We justify the benefits of one-step-delay overlap of communication and local training, as well as the adaptive gradient compression scheme, through a theoretical analysis of convergence. Empirically, we demonstrate that DiLoCoX is capable of pre-training a 107B foundation model over a 1Gbps network. Compared to vanilla AllReduce, DiLoCoX can achieve a 357x speedup in distributed training while maintaining negligible degradation in model convergence. To the best of our knowledge, this is the first decentralized training framework successfully applied to models with over 100 billion parameters.
☆ From On-chain to Macro: Assessing the Importance of Data Source Diversity in Cryptocurrency Market Forecasting
This study investigates the impact of data source diversity on the performance of cryptocurrency forecasting models by integrating various data categories, including technical indicators, on-chain metrics, sentiment and interest metrics, traditional market indices, and macroeconomic indicators. We introduce the Crypto100 index, representing the top 100 cryptocurrencies by market capitalization, and propose a novel feature reduction algorithm to identify the most impactful and resilient features from diverse data sources. Our comprehensive experiments demonstrate that data source diversity significantly enhances the predictive performance of forecasting models across different time horizons. Key findings include the paramount importance of on-chain metrics for both short-term and long-term predictions, the growing relevance of traditional market indices and macroeconomic indicators for longer-term forecasts, and substantial improvements in model accuracy when diverse data sources are utilized. These insights help demystify the short-term and long-term driving factors of the cryptocurrency market and lay the groundwork for developing more accurate and resilient forecasting models.
☆ Zero-Shot Learning for Obsolescence Risk Forecasting
Component obsolescence poses significant challenges in industries reliant on electronic components, causing increased costs and disruptions in the security and availability of systems. Accurate obsolescence risk prediction is essential but hindered by a lack of reliable data. This paper proposes a novel approach to forecasting obsolescence risk using zero-shot learning (ZSL) with large language models (LLMs) to address data limitations by leveraging domain-specific knowledge from tabular datasets. Applied to two real-world datasets, the method demonstrates effective risk prediction. A comparative evaluation of four LLMs underscores the importance of selecting the right model for specific forecasting tasks.
☆ Complexity-aware fine-tuning
General-purpose Large Language Models (LLMs) are frequently fine-tuned through supervised fine-tuning (SFT) to enhance performance in specific domains. Better results can be achieved by distilling the chain-of-thought of a larger model at the cost of numerous expensive calls and a much greater amount of data. We propose a novel blueprint for efficient fine-tuning that uses reasoning only for complex data identified by entropy. Specifically, across two small open models ($\approx 3B$) we split the training data into complexity categories by a single token answer entropy (ROC AUC $0.73$), fine-tune large language models (LLMs) via SFT and distillation, and show that our pipeline significantly outperforms the standard SFT approach ($0.55$ vs $0.43$ average accuracy) and provides comparable with distillation performance while using $62\%$ less data ($0.55$ average accuracy for both). We publish our code and data to facilitate further research in this direction.
☆ Unveiling Causal Reasoning in Large Language Models: Reality or Mirage? NeurIPS 2024
Causal reasoning capability is critical in advancing large language models (LLMs) toward strong artificial intelligence. While versatile LLMs appear to have demonstrated capabilities in understanding contextual causality and providing responses that obey the laws of causality, it remains unclear whether they perform genuine causal reasoning akin to humans. However, current evidence indicates the contrary. Specifically, LLMs are only capable of performing shallow (level-1) causal reasoning, primarily attributed to the causal knowledge embedded in their parameters, but they lack the capacity for genuine human-like (level-2) causal reasoning. To support this hypothesis, methodologically, we delve into the autoregression mechanism of transformer-based LLMs, revealing that it is not inherently causal. Empirically, we introduce a new causal Q&A benchmark called CausalProbe-2024, whose corpora are fresh and nearly unseen for the studied LLMs. The LLMs exhibit a significant performance drop on CausalProbe-2024 compared to earlier benchmarks, indicating the fact that they primarily engage in level-1 causal reasoning. To bridge the gap towards level-2 causal reasoning, we draw inspiration from the fact that human reasoning is usually facilitated by general knowledge and intended goals. We propose G^2-Reasoner, a method that incorporates general knowledge and goal-oriented prompts into LLMs' causal reasoning processes. Experiments demonstrate that G^2-Reasoner significantly enhances LLMs' causal reasoning capability, particularly in fresh and counterfactual contexts. This work sheds light on a new path for LLMs to advance towards genuine causal reasoning, going beyond level-1 and making strides towards level-2.
comment: 24 pages, accepted at NeurIPS 2024
☆ Artificial Delegates Resolve Fairness Issues in Perpetual Voting with Partial Turnout
Perpetual voting addresses fairness in sequential collective decision-making by evaluating representational equity over time. However, existing perpetual voting rules rely on full participation and complete approval information, assumptions that rarely hold in practice, where partial turnout is the norm. In this work, we study the integration of Artificial Delegates, preference-learning agents trained to represent absent voters, into perpetual voting systems. We examine how absenteeism affects fairness and representativeness under various voting methods and evaluate the extent to which Artificial Delegates can compensate for missing participation. Our findings indicate that while absenteeism significantly affects fairness, Artificial Delegates reliably mitigate these effects and enhance robustness across diverse scenarios.
comment: The paper has been accepted at the ACM Collective Intelligence Conference (CI 2025), August 4 to 6, 2025, San Diego, CA, USA
☆ Performance improvement of spatial semantic segmentation with enriched audio features and agent-based error correction for DCASE 2025 Challenge Task 4
This technical report presents submission systems for Task 4 of the DCASE 2025 Challenge. This model incorporates additional audio features (spectral roll-off and chroma features) into the embedding feature extracted from the mel-spectral feature to im-prove the classification capabilities of an audio-tagging model in the spatial semantic segmentation of sound scenes (S5) system. This approach is motivated by the fact that mixed audio often contains subtle cues that are difficult to capture with mel-spectrograms alone. Thus, these additional features offer alterna-tive perspectives for the model. Second, an agent-based label correction system is applied to the outputs processed by the S5 system. This system reduces false positives, improving the final class-aware signal-to-distortion ratio improvement (CA-SDRi) metric. Finally, we refine the training dataset to enhance the classi-fication accuracy of low-performing classes by removing irrele-vant samples and incorporating external data. That is, audio mix-tures are generated from a limited number of data points; thus, even a small number of out-of-class data points could degrade model performance. The experiments demonstrate that the submit-ted systems employing these approaches relatively improve CA-SDRi by up to 14.7% compared to the baseline of DCASE 2025 Challenge Task 4.
comment: DCASE 2025 challenge Task4, 5 pages
☆ Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design
In many real-world applications, evaluating the goodness of instances is often costly and time-consuming, e.g., human feedback and physics simulations, in contrast to proposing new instances. In particular, this is even more critical in reinforcement learning, as new interactions with the environment (i.e., new instances) need to be evaluated to provide a reward signal to learn from. As sufficient exploration is crucial, learning from a diverse mini-batch can have a large impact and help mitigate mode collapse. In this paper, we introduce diverse mini-batch selection for reinforcement learning and propose to use determinantal point processes for this task. We study this framework in the context of a real-world problem, namely drug discovery. We experimentally study how our proposed framework can improve the effectiveness of chemical exploration in de novo drug design, where finding diverse and high-quality solutions is essential. We conduct a comprehensive evaluation with three well-established molecular generation oracles over numerous generative steps. Our experiments conclude that our diverse mini-batch selection framework can substantially improve the diversity of the solutions, while still obtaining solutions of high quality. In drug discovery, such outcome can potentially lead to fulfilling unmet medication needs faster.
☆ Transformer-Based Spatial-Temporal Counterfactual Outcomes Estimation ICML 2025
The real world naturally has dimensions of time and space. Therefore, estimating the counterfactual outcomes with spatial-temporal attributes is a crucial problem. However, previous methods are based on classical statistical models, which still have limitations in performance and generalization. This paper proposes a novel framework for estimating counterfactual outcomes with spatial-temporal attributes using the Transformer, exhibiting stronger estimation ability. Under mild assumptions, the proposed estimator within this framework is consistent and asymptotically normal. To validate the effectiveness of our approach, we conduct simulation experiments and real data experiments. Simulation experiments show that our estimator has a stronger estimation capability than baseline methods. Real data experiments provide a valuable conclusion to the causal effect of conflicts on forest loss in Colombia. The source code is available at https://github.com/lihe-maxsize/DeppSTCI_Release_Version-master.
comment: 24 pages, accepted at ICML 2025
☆ Linearity-based neural network compression
In neural network compression, most current methods reduce unnecessary parameters by measuring importance and redundancy. To augment already highly optimized existing solutions, we propose linearity-based compression as a novel way to reduce weights in a neural network. It is based on the intuition that with ReLU-like activation functions, neurons that are almost always activated behave linearly, allowing for merging of subsequent layers. We introduce the theory underlying this compression and evaluate our approach experimentally. Our novel method achieves a lossless compression down to 1/4 of the original model size in over the majority of tested models. Applying our method on already importance-based pruned models shows very little interference between different types of compression, demonstrating the option of successful combination of techniques. Overall, our work lays the foundation for a new type of compression method that enables smaller and ultimately more efficient neural network models.
☆ Personalized Federated Learning via Dual-Prompt Optimization and Cross Fusion
Federated learning (FL) enables collaborative model training across decentralized clients without sharing local data, but is challenged by heterogeneity in data, computation, and communication. Pretrained vision-language models (VLMs), with their strong generalization and lightweight tuning via prompts, offer a promising solution. However, existing federated prompt-learning methods rely only on text prompts and overlook joint label-domain distribution shifts. In this paper, we propose a personalized FL framework based on dual-prompt learning and cross fusion, termed pFedDC. Specifically, each client maintains both global and local prompts across vision and language modalities: global prompts capture common knowledge shared across the federation, while local prompts encode client-specific semantics and domain characteristics. Meanwhile, a cross-fusion module is designed to adaptively integrate prompts from different levels, enabling the model to generate personalized representations aligned with each client's unique data distribution. Extensive experiments across nine datasets with various types of heterogeneity show that pFedDC consistently outperforms state-of-the-art methods.
☆ Generative Adversarial Evasion and Out-of-Distribution Detection for UAV Cyber-Attacks
The growing integration of UAVs into civilian airspace underscores the need for resilient and intelligent intrusion detection systems (IDS), as traditional anomaly detection methods often fail to identify novel threats. A common approach treats unfamiliar attacks as out-of-distribution (OOD) samples; however, this leaves systems vulnerable when mitigation is inadequate. Moreover, conventional OOD detectors struggle to distinguish stealthy adversarial attacks from genuine OOD events. This paper introduces a conditional generative adversarial network (cGAN)-based framework for crafting stealthy adversarial attacks that evade IDS mechanisms. We first design a robust multi-class IDS classifier trained on benign UAV telemetry and known cyber-attacks, including Denial of Service (DoS), false data injection (FDI), man-in-the-middle (MiTM), and replay attacks. Using this classifier, our cGAN perturbs known attacks to generate adversarial samples that misclassify as benign while retaining statistical resemblance to OOD distributions. These adversarial samples are iteratively refined to achieve high stealth and success rates. To detect such perturbations, we implement a conditional variational autoencoder (CVAE), leveraging negative log-likelihood to separate adversarial inputs from authentic OOD samples. Comparative evaluation shows that CVAE-based regret scores significantly outperform traditional Mahalanobis distance-based detectors in identifying stealthy adversarial threats. Our findings emphasize the importance of advanced probabilistic modeling to strengthen IDS capabilities against adaptive, generative-model-based cyber intrusions.
☆ DBConformer: Dual-Branch Convolutional Transformer for EEG Decoding
Electroencephalography (EEG)-based brain-computer interfaces (BCIs) transform spontaneous/evoked neural activity into control commands for external communication. While convolutional neural networks (CNNs) remain the mainstream backbone for EEG decoding, their inherently short receptive field makes it difficult to capture long-range temporal dependencies and global inter-channel relationships. Recent CNN-Transformer (Conformers) hybrids partially address this issue, but most adopt a serial design, resulting in suboptimal integration of local and global features, and often overlook explicit channel-wise modeling. To address these limitations, we propose DBConformer, a dual-branch convolutional Transformer network tailored for EEG decoding. It integrates a temporal Conformer to model long-range temporal dependencies and a spatial Conformer to extract inter-channel interactions, capturing both temporal dynamics and spatial patterns in EEG signals. A lightweight channel attention module further refines spatial representations by assigning data-driven importance to EEG channels. Extensive experiments on five motor imagery (MI) datasets and two seizure detection datasets under three evaluation settings demonstrate that DBConformer consistently outperforms 10 competitive baseline models, with over eight times fewer parameters than the high-capacity EEG Conformer baseline. Further, the visualization results confirm that the features extracted by DBConformer are physiologically interpretable and aligned with sensorimotor priors in MI. The superior performance and interpretability of DBConformer make it reliable for robust and explainable EEG decoding. Code is publicized at https://github.com/wzwvv/DBConformer.
comment: 12 pages, 6 figures
☆ NaLaFormer: Norm-Aware Linear Attention for Transformer Models
Linear attention has emerged as a viable alternative to softmax attention by reducing complexity from quadratic to linear in sequence length. To preserve two fundamental properties of softmax, non-negativity and entropy reduction, current works employ various linearly separatable kernel functions with $L1$ normalization instead of softmax operator. However, query norms are neglected by the normalization operation in linear attention, such degradation heavily leads to an entropy gap. Meanwhile, existing works inhibit negative values of query and key vectors resulting in a missing inner-product interactions after being mapped. To address these dual challenges, we propose a novel Norm-Aware Linear Attention mechanism serving to restore norm-guided dynamic spikiness and recover kernel-perturbed norm distributions. Specifically, we first decouple query and key matrices into two components: norm and direction, to achieve norm-aware spikiness control and norm consistency, respectively. We mathematically reveal that the extent of entropy reduction varies with the query norm in softmax normalization, motivating a query-norm aware kernel function for dynamic control over entropy reduction. Furthermore, to ensure norm consistency and enforce non-negativity constraints, we employ a norm-preserving mapping to project all elements of the angular matrix into positive values, leveraging cosine similarity to inhibit dimensions with opposite directions. We conduct extensive experiments demonstrating that the NaLaFormer improves performance on vision and language tasks, enhancing both expressiveness and efficiency by up to 4.2\%.
☆ Curriculum-Guided Antifragile Reinforcement Learning for Secure UAV Deconfliction under Observation-Space Attacks
Reinforcement learning (RL) policies deployed in safety-critical systems, such as unmanned aerial vehicle (UAV) navigation in dynamic airspace, are vulnerable to out-ofdistribution (OOD) adversarial attacks in the observation space. These attacks induce distributional shifts that significantly degrade value estimation, leading to unsafe or suboptimal decision making rendering the existing policy fragile. To address this vulnerability, we propose an antifragile RL framework designed to adapt against curriculum of incremental adversarial perturbations. The framework introduces a simulated attacker which incrementally increases the strength of observation-space perturbations which enables the RL agent to adapt and generalize across a wider range of OOD observations and anticipate previously unseen attacks. We begin with a theoretical characterization of fragility, formally defining catastrophic forgetting as a monotonic divergence in value function distributions with increasing perturbation strength. Building on this, we define antifragility as the boundedness of such value shifts and derive adaptation conditions under which forgetting is stabilized. Our method enforces these bounds through iterative expert-guided critic alignment using Wasserstein distance minimization across incrementally perturbed observations. We empirically evaluate the approach in a UAV deconfliction scenario involving dynamic 3D obstacles. Results show that the antifragile policy consistently outperforms standard and robust RL baselines when subjected to both projected gradient descent (PGD) and GPS spoofing attacks, achieving up to 15% higher cumulative reward and over 30% fewer conflict events. These findings demonstrate the practical and theoretical viability of antifragile reinforcement learning for secure and resilient decision-making in environments with evolving threat scenarios.
☆ Robust Policy Switching for Antifragile Reinforcement Learning for UAV Deconfliction in Adversarial Environments
The increasing automation of navigation for unmanned aerial vehicles (UAVs) has exposed them to adversarial attacks that exploit vulnerabilities in reinforcement learning (RL) through sensor manipulation. Although existing robust RL methods aim to mitigate such threats, their effectiveness has limited generalization to out-of-distribution shifts from the optimal value distribution, as they are primarily designed to handle fixed perturbation. To address this limitation, this paper introduces an antifragile RL framework that enhances adaptability to broader distributional shifts by incorporating a switching mechanism based on discounted Thompson sampling (DTS). This mechanism dynamically selects among multiple robust policies to minimize adversarially induced state-action-value distribution shifts. The proposed approach first derives a diverse ensemble of action robust policies by accounting for a range of perturbations in the policy space. These policies are then modeled as a multiarmed bandit (MAB) problem, where DTS optimally selects policies in response to nonstationary Bernoulli rewards, effectively adapting to evolving adversarial strategies. Theoretical framework has also been provided where by optimizing the DTS to minimize the overall regrets due to distributional shift, results in effective adaptation against unseen adversarial attacks thus inducing antifragility. Extensive numerical simulations validate the effectiveness of the proposed framework in complex navigation environments with multiple dynamic three-dimensional obstacles and with stronger projected gradient descent (PGD) and spoofing attacks. Compared to conventional robust, non-adaptive RL methods, the antifragile approach achieves superior performance, demonstrating shorter navigation path lengths and a higher rate of conflict-free navigation trajectories compared to existing robust RL techniques
☆ Pushing Trade-Off Boundaries: Compact yet Effective Remote Sensing Change Detection
Remote sensing change detection is essential for monitoring urban expansion, disaster assessment, and resource management, offering timely, accurate, and large-scale insights into dynamic landscape transformations. While deep learning has revolutionized change detection, the increasing complexity and computational demands of modern models have not necessarily translated into significant accuracy gains. Instead of following this trend, this study explores a more efficient approach, focusing on lightweight models that maintain high accuracy while minimizing resource consumption, which is an essential requirement for on-satellite processing. To this end, we propose FlickCD, which means quick flick then get great results, pushing the boundaries of the performance-resource trade-off. FlickCD introduces an Enhanced Difference Module (EDM) to amplify critical feature differences between temporal phases while suppressing irrelevant variations such as lighting and weather changes, thereby reducing computational costs in the subsequent change decoder. Additionally, the FlickCD decoder incorporates Local-Global Fusion Blocks, leveraging Shifted Window Self-Attention (SWSA) and Enhanced Global Self-Attention (EGSA) to efficiently capture semantic information at multiple scales, preserving both coarse- and fine-grained changes. Extensive experiments on four benchmark datasets demonstrate that FlickCD reduces computational and storage overheads by more than an order of magnitude while achieving state-of-the-art (SOTA) performance or incurring only a minor (<1\% F1) accuracy trade-off. The implementation code is publicly available at https://github.com/xulsh8/FlickCD.
comment: 12 pages
☆ Unlasting: Unpaired Single-Cell Multi-Perturbation Estimation by Dual Conditional Diffusion Implicit Bridges
Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process, making it impossible to capture the same cell's phenotype before and after perturbation. Consequently, data collected under perturbed and unperturbed conditions are inherently unpaired. Existing methods either attempt to forcibly pair unpaired data using random sampling, or neglect the inherent relationship between unperturbed and perturbed cells during the modeling. In this work, we propose a framework based on Dual Diffusion Implicit Bridges (DDIB) to learn the mapping between different data distributions, effectively addressing the challenge of unpaired data. We further interpret this framework as a form of data augmentation. We integrate gene regulatory network (GRN) information to propagate perturbation signals in a biologically meaningful way, and further incorporate a masking mechanism to predict silent genes, improving the quality of generated profiles. Moreover, gene expression under the same perturbation often varies significantly across cells, frequently exhibiting a bimodal distribution that reflects intrinsic heterogeneity. To capture this, we introduce a more suitable evaluation metric. We propose Unlasting, dual conditional diffusion models that overcome the problem of unpaired single-cell perturbation data and strengthen the model's insight into perturbations under the guidance of the GRN, with a dedicated mask model designed to improve generation quality by predicting silent genes. In addition, we introduce a biologically grounded evaluation metric that better reflects the inherent heterogeneity in single-cell responses.
☆ Learning to Skip the Middle Layers of Transformers
Conditional computation is a popular strategy to make Transformers more efficient. Existing methods often target individual modules (e.g., mixture-of-experts layers) or skip layers independently of one another. However, interpretability research has demonstrated that the middle layers of Transformers exhibit greater redundancy, and that early layers aggregate information into token positions. Guided by these insights, we propose a novel architecture that dynamically skips a variable number of layers from the middle outward. In particular, a learned gating mechanism determines whether to bypass a symmetric span of central blocks based on the input, and a gated attention mechanism prevents subsequent tokens from attending to skipped token positions. Residual norms are controlled with a 'sandwich' or 'perilayernorm' scheme and gate sparsity with an adaptive regularization loss. We had aimed to reduce compute requirements for 'simpler' tokens and potentially foster an emergent multi-level representational hierarchy but, at the scales investigated, our approach does not achieve improvements in the trade-off between validation cross-entropy and estimated FLOPs compared to dense baselines with fewer layers. We release our code at https://github.com/tim-lawson/skip-middle.
comment: 11 pages, 2 figures
☆ Interpretable Hierarchical Concept Reasoning through Attention-Guided Graph Learning
Concept-Based Models (CBMs) are a class of deep learning models that provide interpretability by explaining predictions through high-level concepts. These models first predict concepts and then use them to perform a downstream task. However, current CBMs offer interpretability only for the final task prediction, while the concept predictions themselves are typically made via black-box neural networks. To address this limitation, we propose Hierarchical Concept Memory Reasoner (H-CMR), a new CBM that provides interpretability for both concept and task predictions. H-CMR models relationships between concepts using a learned directed acyclic graph, where edges represent logic rules that define concepts in terms of other concepts. During inference, H-CMR employs a neural attention mechanism to select a subset of these rules, which are then applied hierarchically to predict all concepts and the final task. Experimental results demonstrate that H-CMR matches state-of-the-art performance while enabling strong human interaction through concept and model interventions. The former can significantly improve accuracy at inference time, while the latter can enhance data efficiency during training when background knowledge is available.
☆ FeDa4Fair: Client-Level Federated Datasets for Fairness Evaluation
Federated Learning (FL) enables collaborative model training across multiple clients without sharing clients' private data. However, fairness remains a key concern, as biases in local clients' datasets can impact the entire federated system. Heterogeneous data distributions across clients may lead to models that are fairer for some clients than others. Although several fairness-enhancing solutions are present in the literature, most focus on mitigating bias for a single sensitive attribute, typically binary, overlooking the diverse and sometimes conflicting fairness needs of different clients. This limited perspective can limit the effectiveness of fairness interventions for the different clients. To support more robust and reproducible fairness research in FL, we aim to enable a consistent benchmarking of fairness-aware FL methods at both the global and client levels. In this paper, we contribute in three ways: (1) We introduce FeDa4Fair, a library to generate tabular datasets tailored to evaluating fair FL methods under heterogeneous client bias; (2) we release four bias-heterogeneous datasets and corresponding benchmarks to compare fairness mitigation methods in a controlled environment; (3) we provide ready-to-use functions for evaluating fairness outcomes for these datasets.
☆ Chain-of-Thought Enhanced Shallow Transformers for Wireless Symbol Detection
Transformers have shown potential in solving wireless communication problems, particularly via in-context learning (ICL), where models adapt to new tasks through prompts without requiring model updates. However, prior ICL-based Transformer models rely on deep architectures with many layers to achieve satisfactory performance, resulting in substantial storage and computational costs. In this work, we propose CHain Of thOught Symbol dEtection (CHOOSE), a CoT-enhanced shallow Transformer framework for wireless symbol detection. By introducing autoregressive latent reasoning steps within the hidden space, CHOOSE significantly improves the reasoning capacity of shallow models (1-2 layers) without increasing model depth. This design enables lightweight Transformers to achieve detection performance comparable to much deeper models, making them well-suited for deployment on resource-constrained mobile devices. Experimental results demonstrate that our approach outperforms conventional shallow Transformers and achieves performance comparable to that of deep Transformers, while maintaining storage and computational efficiency. This represents a promising direction for implementing Transformer-based algorithms in wireless receivers with limited computational resources.
☆ CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions KDD 2025
Molecular docking plays a crucial role in predicting the binding mode of ligands to target proteins, and covalent interactions, which involve the formation of a covalent bond between the ligand and the target, are particularly valuable due to their strong, enduring binding nature. However, most existing docking methods and deep learning approaches hardly account for the formation of covalent bonds and the associated structural changes. To address this gap, we introduce a comprehensive benchmark for covalent docking, CovDocker, which is designed to better capture the complexities of covalent binding. We decompose the covalent docking process into three main tasks: reactive location prediction, covalent reaction prediction, and covalent docking. By adapting state-of-the-art models, such as Uni-Mol and Chemformer, we establish baseline performances and demonstrate the effectiveness of the benchmark in accurately predicting interaction sites and modeling the molecular transformations involved in covalent binding. These results confirm the role of the benchmark as a rigorous framework for advancing research in covalent drug design. It underscores the potential of data-driven approaches to accelerate the discovery of selective covalent inhibitors and addresses critical challenges in therapeutic development.
comment: Accepted to KDD 2025 Research Track
☆ EgoAdapt: Adaptive Multisensory Distillation and Policy Learning for Efficient Egocentric Perception ICCV 2025
Modern perception models, particularly those designed for multisensory egocentric tasks, have achieved remarkable performance but often come with substantial computational costs. These high demands pose challenges for real-world deployment, especially in resource-constrained environments. In this paper, we introduce EgoAdapt, a framework that adaptively performs cross-modal distillation and policy learning to enable efficient inference across different egocentric perception tasks, including egocentric action recognition, active speaker localization, and behavior anticipation. Our proposed policy module is adaptable to task-specific action spaces, making it broadly applicable. Experimental results on three challenging egocentric datasets EPIC-Kitchens, EasyCom, and Aria Everyday Activities demonstrate that our method significantly enhances efficiency, reducing GMACs by up to 89.09%, parameters up to 82.02%, and energy up to 9.6x, while still on-par and in many cases outperforming, the performance of corresponding state-of-the-art models.
comment: Accepted at ICCV 2025
☆ Homogenization of Multi-agent Learning Dynamics in Finite-state Markov Games
This paper introduces a new approach for approximating the learning dynamics of multiple reinforcement learning (RL) agents interacting in a finite-state Markov game. The idea is to rescale the learning process by simultaneously reducing the learning rate and increasing the update frequency, effectively treating the agent's parameters as a slow-evolving variable influenced by the fast-mixing game state. Under mild assumptions-ergodicity of the state process and continuity of the updates-we prove the convergence of this rescaled process to an ordinary differential equation (ODE). This ODE provides a tractable, deterministic approximation of the agent's learning dynamics. An implementation of the framework is available at\,: https://github.com/yannKerzreho/MarkovGameApproximation
☆ Enhancing LLM Tool Use with High-quality Instruction Data from Knowledge Graph
Teaching large language models (LLMs) to use tools is crucial for improving their problem-solving abilities and expanding their applications. However, effectively using tools is challenging because it requires a deep understanding of tool functionalities and user intentions. Previous methods relied mainly on LLMs to generate instruction data, but the quality of these data was often insufficient. In this paper, we propose a new method that uses knowledge graphs to generate high-quality instruction data for LLMs. Knowledge graphs are manually curated datasets rich in semantic information. We begin by extracting various query pathways from a given knowledge graph, which are transformed into a broad spectrum of user queries. We then translate the relationships between entities into actionable tools and parse the pathways of each query into detailed solution steps, thereby creating high-quality instruction data. Our experiments show that fine-tuning on just a small sample of this synthetic data can significantly improve the tool utilization and overall capabilities of LLMs.
comment: 20 pages, 12 figures
☆ FedDAA: Dynamic Client Clustering for Concept Drift Adaptation in Federated Learning
In federated learning (FL), the data distribution of each client may change over time, introducing both temporal and spatial data heterogeneity, known as concept drift. Data heterogeneity arises from three drift sources: real drift (a shift in the conditional distribution P(y|x)), virtual drift (a shift in the input distribution P(x)), and label drift (a shift in the label distribution P(y)). However, most existing FL methods addressing concept drift primarily focus on real drift. When clients experience virtual or label drift, these methods often fail to selectively retain useful historical knowledge, leading to catastrophic forgetting. A key challenge lies in distinguishing different sources of drift, as they require distinct adaptation strategies: real drift calls for discarding outdated data, while virtual or label drift benefits from retaining historical data. Without explicitly identifying the drift sources, a general adaptation strategy is suboptimal and may harm generalization. To address this challenge, we propose FedDAA, a dynamic clustered FL framework designed to adapt to multi-source concept drift while preserving valuable historical knowledge. Specifically, FedDAA integrates three modules: a cluster number determination module to find the optimal number of clusters; a real drift detection module to distinguish real drift from virtual/label drift; and a concept drift adaptation module to adapt to new data while retaining useful historical information. We provide theoretical convergence guarantees, and experiments show that FedDAA achieves 7.84% to 8.52% accuracy improvements over state-of-the-art methods on Fashion-MNIST, CIFAR-10, and CIFAR-100.
☆ Improving Diffusion-Based Image Editing Faithfulness via Guidance and Scheduling
Text-guided diffusion models have become essential for high-quality image synthesis, enabling dynamic image editing. In image editing, two crucial aspects are editability, which determines the extent of modification, and faithfulness, which reflects how well unaltered elements are preserved. However, achieving optimal results is challenging because of the inherent trade-off between editability and faithfulness. To address this, we propose Faithfulness Guidance and Scheduling (FGS), which enhances faithfulness with minimal impact on editability. FGS incorporates faithfulness guidance to strengthen the preservation of input image information and introduces a scheduling strategy to resolve misalignment between editability and faithfulness. Experimental results demonstrate that FGS achieves superior faithfulness while maintaining editability. Moreover, its compatibility with various editing methods enables precise, high-quality image edits across diverse tasks.
comment: preprint
☆ Efficient Skill Discovery via Regret-Aware Optimization
Unsupervised skill discovery aims to learn diverse and distinguishable behaviors in open-ended reinforcement learning. For existing methods, they focus on improving diversity through pure exploration, mutual information optimization, and learning temporal representation. Despite that they perform well on exploration, they remain limited in terms of efficiency, especially for the high-dimensional situations. In this work, we frame skill discovery as a min-max game of skill generation and policy learning, proposing a regret-aware method on top of temporal representation learning that expands the discovered skill space along the direction of upgradable policy strength. The key insight behind the proposed method is that the skill discovery is adversarial to the policy learning, i.e., skills with weak strength should be further explored while less exploration for the skills with converged strength. As an implementation, we score the degree of strength convergence with regret, and guide the skill discovery with a learnable skill generator. To avoid degeneration, skill generation comes from an up-gradable population of skill generators. We conduct experiments on environments with varying complexities and dimension sizes. Empirical results show that our method outperforms baselines in both efficiency and diversity. Moreover, our method achieves a 15% zero shot improvement in high-dimensional environments, compared to existing methods.
☆ Strict Subgoal Execution: Reliable Long-Horizon Planning in Hierarchical Reinforcement Learning
Long-horizon goal-conditioned tasks pose fundamental challenges for reinforcement learning (RL), particularly when goals are distant and rewards are sparse. While hierarchical and graph-based methods offer partial solutions, they often suffer from subgoal infeasibility and inefficient planning. We introduce Strict Subgoal Execution (SSE), a graph-based hierarchical RL framework that enforces single-step subgoal reachability by structurally constraining high-level decision-making. To enhance exploration, SSE employs a decoupled exploration policy that systematically traverses underexplored regions of the goal space. Furthermore, a failure-aware path refinement, which refines graph-based planning by dynamically adjusting edge costs according to observed low-level success rates, thereby improving subgoal reliability. Experimental results across diverse long-horizon benchmarks demonstrate that SSE consistently outperforms existing goal-conditioned RL and hierarchical RL approaches in both efficiency and success rate.
comment: 9 technical page followed by references and appendix
☆ RL-Selector: Reinforcement Learning-Guided Data Selection via Redundancy Assessment ICCV 2025
Modern deep architectures often rely on large-scale datasets, but training on these datasets incurs high computational and storage overhead. Real-world datasets often contain substantial redundancies, prompting the need for more data-efficient training paradigms. Data selection has shown promise to mitigate redundancy by identifying the most representative samples, thereby reducing training costs without compromising performance. Existing methods typically rely on static scoring metrics or pretrained models, overlooking the combined effect of selected samples and their evolving dynamics during training. We introduce the concept of epsilon-sample cover, which quantifies sample redundancy based on inter-sample relationships, capturing the intrinsic structure of the dataset. Based on this, we reformulate data selection as a reinforcement learning (RL) process and propose RL-Selector, where a lightweight RL agent optimizes the selection policy by leveraging epsilon-sample cover derived from evolving dataset distribution as a reward signal. Extensive experiments across benchmark datasets and diverse architectures demonstrate that our method consistently outperforms existing state-of-the-art baselines. Models trained with our selected datasets show enhanced generalization performance with improved training efficiency.
comment: ICCV 2025
☆ An Information-Theoretic Analysis for Federated Learning under Concept Drift
Recent studies in federated learning (FL) commonly train models on static datasets. However, real-world data often arrives as streams with shifting distributions, causing performance degradation known as concept drift. This paper analyzes FL performance under concept drift using information theory and proposes an algorithm to mitigate the performance degradation. We model concept drift as a Markov chain and introduce the \emph{Stationary Generalization Error} to assess a model's capability to capture characteristics of future unseen data. Its upper bound is derived using KL divergence and mutual information. We study three drift patterns (periodic, gradual, and random) and their impact on FL performance. Inspired by this, we propose an algorithm that regularizes the empirical risk minimization approach with KL divergence and mutual information, thereby enhancing long-term performance. We also explore the performance-cost tradeoff by identifying a Pareto front. To validate our approach, we build an FL testbed using Raspberry Pi4 devices. Experimental results corroborate with theoretical findings, confirming that drift patterns significantly affect performance. Our method consistently outperforms existing approaches for these three patterns, demonstrating its effectiveness in adapting concept drift in FL.
☆ Little By Little: Continual Learning via Self-Activated Sparse Mixture-of-Rank Adaptive Learning
Continual learning (CL) with large pre-trained models is challenged by catastrophic forgetting and task interference. Existing LoRA-based Mixture-of-Experts (MoE) approaches mitigate forgetting by assigning and freezing task-specific adapters, but suffer from interference, redundancy, and ambiguous routing due to coarse adapter-level selection. However, this design introduces three key challenges: 1) Interference: Activating full LoRA experts per input leads to subspace interference and prevents selective reuse of useful components across tasks. 2) Redundancy: Newly added experts often duplicate or contradict existing knowledge due to unnecessary activation of unrelated ranks and insufficient reuse of relevant ones. 3) Ambiguity: Overlapping features across tasks confuse the router, resulting in unstable expert assignments. As more experts accumulate, earlier task routing degrades, accelerating forgetting. We propose MoRA, a Mixture-of-Rank Adaptive learning approach with self-activated and sparse rank activation for CL. Unlike mixing multiple low-rank matrices, MoRA decomposes each rank-r update into r rank-1 components, each treated as an independent expert, enabling fine-grained mixture of rank-1 expert utilization while mitigating interference and redundancy. To avoid ambiguous routing, we propose that each rank-1 expert can infer its own relevance via intermediate activations. Coupled with our proposed rank pruning and activation budgets, MoRA adaptively selects a sparse mixture of ranks per input. We validate MoRA on continual learning tasks with CLIP and large language models (LLMs), analyzing both in-domain learning and out-of-domain forgetting/generalization during fine-tuning. MoRA shows significant effectiveness on enhancing CL with PTMs, and improving generalization while mitigating forgetting.
comment: Preprint
☆ TRIDENT: Tri-Modal Molecular Representation Learning with Taxonomic Annotations and Local Correspondence
Molecular property prediction aims to learn representations that map chemical structures to functional properties. While multimodal learning has emerged as a powerful paradigm to learn molecular representations, prior works have largely overlooked textual and taxonomic information of molecules for representation learning. We introduce TRIDENT, a novel framework that integrates molecular SMILES, textual descriptions, and taxonomic functional annotations to learn rich molecular representations. To achieve this, we curate a comprehensive dataset of molecule-text pairs with structured, multi-level functional annotations. Instead of relying on conventional contrastive loss, TRIDENT employs a volume-based alignment objective to jointly align tri-modal features at the global level, enabling soft, geometry-aware alignment across modalities. Additionally, TRIDENT introduces a novel local alignment objective that captures detailed relationships between molecular substructures and their corresponding sub-textual descriptions. A momentum-based mechanism dynamically balances global and local alignment, enabling the model to learn both broad functional semantics and fine-grained structure-function mappings. TRIDENT achieves state-of-the-art performance on 11 downstream tasks, demonstrating the value of combining SMILES, textual, and taxonomic functional annotations for molecular property prediction.
☆ HybridQ: Hybrid Classical-Quantum Generative Adversarial Network for Skin Disease Image Generation
Machine learning-assisted diagnosis is gaining traction in skin disease detection, but training effective models requires large amounts of high-quality data. Skin disease datasets often suffer from class imbalance, privacy concerns, and object bias, making data augmentation essential. While classical generative models are widely used, they demand extensive computational resources and lengthy training time. Quantum computing offers a promising alternative, but existing quantum-based image generation methods can only yield grayscale low-quality images. Through a novel classical-quantum latent space fusion technique, our work overcomes this limitation and introduces the first classical-quantum generative adversarial network (GAN) capable of generating color medical images. Our model outperforms classical deep convolutional GANs and existing hybrid classical-quantum GANs in both image generation quality and classification performance boost when used as data augmentation. Moreover, the performance boost is comparable with that achieved using state-of-the-art classical generative models, yet with over 25 times fewer parameters and 10 times fewer training epochs. Such results suggest a promising future for quantum image generation as quantum hardware advances. Finally, we demonstrate the robust performance of our model on real IBM quantum machine with hardware noise.
☆ Distilling Normalizing Flows CVPR
Explicit density learners are becoming an increasingly popular technique for generative models because of their ability to better model probability distributions. They have advantages over Generative Adversarial Networks due to their ability to perform density estimation and having exact latent-variable inference. This has many advantages, including: being able to simply interpolate, calculate sample likelihood, and analyze the probability distribution. The downside of these models is that they are often more difficult to train and have lower sampling quality. Normalizing flows are explicit density models, that use composable bijective functions to turn an intractable probability function into a tractable one. In this work, we present novel knowledge distillation techniques to increase sampling quality and density estimation of smaller student normalizing flows. We seek to study the capacity of knowledge distillation in Compositional Normalizing Flows to understand the benefits and weaknesses provided by these architectures. Normalizing flows have unique properties that allow for a non-traditional forms of knowledge transfer, where we can transfer that knowledge within intermediate layers. We find that through this distillation, we can make students significantly smaller while making substantial performance gains over a non-distilled student. With smaller models there is a proportionally increased throughput as this is dependent upon the number of bijectors, and thus parameters, in the network.
comment: Published in eLVM @ CVPR (https://openaccess.thecvf.com/content/CVPR2025W/eLVM/html/Walton_Distilling_Normalizing_Flows_CVPRW_2025_paper)
☆ Step-by-Step Video-to-Audio Synthesis via Negative Audio Guidance
We propose a novel step-by-step video-to-audio generation method that sequentially produces individual audio tracks, each corresponding to a specific sound event in the video. Our approach mirrors traditional Foley workflows, aiming to capture all sound events induced by a given video comprehensively. Each generation step is formulated as a guided video-to-audio synthesis task, conditioned on a target text prompt and previously generated audio tracks. This design is inspired by the idea of concept negation from prior compositional generation frameworks. To enable this guided generation, we introduce a training framework that leverages pre-trained video-to-audio models and eliminates the need for specialized paired datasets, allowing training on more accessible data. Experimental results demonstrate that our method generates multiple semantically distinct audio tracks for a single input video, leading to higher-quality composite audio synthesis than existing baselines.
☆ SharpZO: Hybrid Sharpness-Aware Vision Language Model Prompt Tuning via Forward-Only Passes
Fine-tuning vision language models (VLMs) has achieved remarkable performance across various downstream tasks; yet, it requires access to model gradients through backpropagation (BP), making them unsuitable for memory-constrained, inference-only edge devices. To address this limitation, previous work has explored various BP-free fine-tuning methods. However, these approaches often rely on high-variance evolutionary strategies (ES) or zeroth-order (ZO) optimization, and often fail to achieve satisfactory performance. In this paper, we propose a hybrid Sharpness-aware Zeroth-order optimization (SharpZO) approach, specifically designed to enhance the performance of ZO VLM fine-tuning via a sharpness-aware warm-up training. SharpZO features a two-stage optimization process: a sharpness-aware ES stage that globally explores and smooths the loss landscape to construct a strong initialization, followed by a fine-grained local search via sparse ZO optimization. The entire optimization relies solely on forward passes. Detailed theoretical analysis and extensive experiments on CLIP models demonstrate that SharpZO significantly improves accuracy and convergence speed, achieving up to 7% average gain over state-of-the-art forward-only methods.
☆ Can Gradient Descent Simulate Prompting?
There are two primary ways of incorporating new information into a language model (LM): changing its prompt or changing its parameters, e.g. via fine-tuning. Parameter updates incur no long-term storage cost for model changes. However, for many model updates, prompting is significantly more effective: prompted models can generalize robustly from single examples and draw logical inferences that do not occur under standard fine-tuning. Can models be modified so that fine-tuning does emulate prompting? This paper describes a method for meta-training LMs such that gradient updates emulate the effects of conditioning on new information. Our approach uses tools from gradient-based meta-learning but uses an LM's own prompted predictions as targets, eliminating the need for ground-truth labels. Subsequent gradient descent training recovers some (and occasionally all) of prompted model performance -- showing improvement on the ``reversal curse'' tasks, and answering questions about text passages after a single gradient update. These results suggest that, with appropriate initialization, gradient descent can be surprisingly expressive. Our results suggest new avenues for long-context modeling and offer insight into the generalization capabilities of gradient-based learning.
comment: 14 pages, 2 figures
☆ EraRAG: Efficient and Incremental Retrieval Augmented Generation for Growing Corpora
Graph-based Retrieval-Augmented Generation (Graph-RAG) enhances large language models (LLMs) by structuring retrieval over an external corpus. However, existing approaches typically assume a static corpus, requiring expensive full-graph reconstruction whenever new documents arrive, limiting their scalability in dynamic, evolving environments. To address these limitations, we introduce EraRAG, a novel multi-layered Graph-RAG framework that supports efficient and scalable dynamic updates. Our method leverages hyperplane-based Locality-Sensitive Hashing (LSH) to partition and organize the original corpus into hierarchical graph structures, enabling efficient and localized insertions of new data without disrupting the existing topology. The design eliminates the need for retraining or costly recomputation while preserving high retrieval accuracy and low latency. Experiments on large-scale benchmarks demonstrate that EraRag achieves up to an order of magnitude reduction in update time and token consumption compared to existing Graph-RAG systems, while providing superior accuracy performance. This work offers a practical path forward for RAG systems that must operate over continually growing corpora, bridging the gap between retrieval efficiency and adaptability. Our code and data are available at https://github.com/EverM0re/EraRAG-Official.
comment: Under review
☆ Antibody Design and Optimization with Multi-scale Equivariant Graph Diffusion Models for Accurate Complex Antigen Binding IJCAI 2025
Antibody design remains a critical challenge in therapeutic and diagnostic development, particularly for complex antigens with diverse binding interfaces. Current computational methods face two main limitations: (1) capturing geometric features while preserving symmetries, and (2) generalizing novel antigen interfaces. Despite recent advancements, these methods often fail to accurately capture molecular interactions and maintain structural integrity. To address these challenges, we propose \textbf{AbMEGD}, an end-to-end framework integrating \textbf{M}ulti-scale \textbf{E}quivariant \textbf{G}raph \textbf{D}iffusion for antibody sequence and structure co-design. Leveraging advanced geometric deep learning, AbMEGD combines atomic-level geometric features with residue-level embeddings, capturing local atomic details and global sequence-structure interactions. Its E(3)-equivariant diffusion method ensures geometric precision, computational efficiency, and robust generalizability for complex antigens. Furthermore, experiments using the SAbDab database demonstrate a 10.13\% increase in amino acid recovery, 3.32\% rise in improvement percentage, and a 0.062~\AA\ reduction in root mean square deviation within the critical CDR-H3 region compared to DiffAb, a leading antibody design model. These results highlight AbMEGD's ability to balance structural integrity with improved functionality, establishing a new benchmark for sequence-structure co-design and affinity optimization. The code is available at: https://github.com/Patrick221215/AbMEGD.
comment: 9 pages, 4 figures, accepted at IJCAI 2025
☆ Model State Arithmetic for Machine Unlearning
Large language models are trained on massive corpora of web data, which may include private data, copyrighted material, factually inaccurate data, or data that degrades model performance. Eliminating the influence of such problematic datapoints through complete retraining -- by repeatedly pretraining the model on datasets that exclude these specific instances -- is computationally prohibitive. For this reason, unlearning algorithms have emerged that aim to eliminate the influence of particular datapoints, while otherwise preserving the model -- at a low computational cost. However, precisely estimating and undoing the influence of individual datapoints has proved to be challenging. In this work, we propose a new algorithm, MSA, for estimating and undoing the influence of datapoints -- by leveraging model checkpoints i.e. artifacts capturing model states at different stages of pretraining. Our experimental results demonstrate that MSA consistently outperforms existing machine unlearning algorithms across multiple benchmarks, models, and evaluation metrics, suggesting that MSA could be an effective approach towards more flexible large language models that are capable of data erasure.
comment: Preprint. Work in progress
☆ Forecasting Geopolitical Events with a Sparse Temporal Fusion Transformer and Gaussian Process Hybrid: A Case Study in Middle Eastern and U.S. Conflict Dynamics
Forecasting geopolitical conflict from data sources like the Global Database of Events, Language, and Tone (GDELT) is a critical challenge for national security. The inherent sparsity, burstiness, and overdispersion of such data cause standard deep learning models, including the Temporal Fusion Transformer (TFT), to produce unreliable long-horizon predictions. We introduce STFT-VNNGP, a hybrid architecture that won the 2023 Algorithms for Threat Detection (ATD) competition by overcoming these limitations. Designed to bridge this gap, our model employs a two-stage process: first, a TFT captures complex temporal dynamics to generate multi-quantile forecasts. These quantiles then serve as informed inputs for a Variational Nearest Neighbor Gaussian Process (VNNGP), which performs principled spatiotemporal smoothing and uncertainty quantification. In a case study forecasting conflict dynamics in the Middle East and the U.S., STFT-VNNGP consistently outperforms a standalone TFT, showing a superior ability to predict the timing and magnitude of bursty event periods, particularly at long-range horizons. This work offers a robust framework for generating more reliable and actionable intelligence from challenging event data, with all code and workflows made publicly available to ensure reproducibility.
☆ Lower Bounds on the Size of Markov Equivalence Classes
Causal discovery algorithms typically recover causal graphs only up to their Markov equivalence classes unless additional parametric assumptions are made. The sizes of these equivalence classes reflect the limits of what can be learned about the underlying causal graph from purely observational data. Under the assumptions of acyclicity, causal sufficiency, and a uniform model prior, Markov equivalence classes are known to be small on average. In this paper, we show that this is no longer the case when any of these assumptions is relaxed. Specifically, we prove exponentially large lower bounds for the expected size of Markov equivalence classes in three settings: sparse random directed acyclic graphs, uniformly random acyclic directed mixed graphs, and uniformly random directed cyclic graphs.
☆ Quantum Reinforcement Learning Trading Agent for Sector Rotation in the Taiwan Stock Market
We propose a hybrid quantum-classical reinforcement learning framework for sector rotation in the Taiwan stock market. Our system employs Proximal Policy Optimization (PPO) as the backbone algorithm and integrates both classical architectures (LSTM, Transformer) and quantum-enhanced models (QNN, QRWKV, QASA) as policy and value networks. An automated feature engineering pipeline extracts financial indicators from capital share data to ensure consistent model input across all configurations. Empirical backtesting reveals a key finding: although quantum-enhanced models consistently achieve higher training rewards, they underperform classical models in real-world investment metrics such as cumulative return and Sharpe ratio. This discrepancy highlights a core challenge in applying reinforcement learning to financial domains -- namely, the mismatch between proxy reward signals and true investment objectives. Our analysis suggests that current reward designs may incentivize overfitting to short-term volatility rather than optimizing risk-adjusted returns. This issue is compounded by the inherent expressiveness and optimization instability of quantum circuits under Noisy Intermediate-Scale Quantum (NISQ) constraints. We discuss the implications of this reward-performance gap and propose directions for future improvement, including reward shaping, model regularization, and validation-based early stopping. Our work offers a reproducible benchmark and critical insights into the practical challenges of deploying quantum reinforcement learning in real-world finance.
☆ Active Learning for Manifold Gaussian Process Regression
This paper introduces an active learning framework for manifold Gaussian Process (GP) regression, combining manifold learning with strategic data selection to improve accuracy in high-dimensional spaces. Our method jointly optimizes a neural network for dimensionality reduction and a Gaussian process regressor in the latent space, supervised by an active learning criterion that minimizes global prediction error. Experiments on synthetic data demonstrate superior performance over randomly sequential learning. The framework efficiently handles complex, discontinuous functions while preserving computational tractability, offering practical value for scientific and engineering applications. Future work will focus on scalability and uncertainty-aware manifold learning.
comment: 13 pages, 6 figures
☆ Interpretable Representation Learning for Additive Rule Ensembles
Small additive ensembles of symbolic rules offer interpretable prediction models. Traditionally, these ensembles use rule conditions based on conjunctions of simple threshold propositions $x \geq t$ on a single input variable $x$ and threshold $t$, resulting geometrically in axis-parallel polytopes as decision regions. While this form ensures a high degree of interpretability for individual rules and can be learned efficiently using the gradient boosting approach, it relies on having access to a curated set of expressive and ideally independent input features so that a small ensemble of axis-parallel regions can describe the target variable well. Absent such features, reaching sufficient accuracy requires increasing the number and complexity of individual rules, which diminishes the interpretability of the model. Here, we extend classical rule ensembles by introducing logical propositions with learnable sparse linear transformations of input variables, i.e., propositions of the form $\mathbf{x}^\mathrm{T}\mathbf{w} \geq t$, where $\mathbf{w}$ is a learnable sparse weight vector, enabling decision regions as general polytopes with oblique faces. We propose a learning method using sequential greedy optimization based on an iteratively reweighted formulation of logistic regression. Experimental results demonstrate that the proposed method efficiently constructs rule ensembles with the same test risk as state-of-the-art methods while significantly reducing model complexity across ten benchmark datasets.
LLM-guided Chemical Process Optimization with a Multi-Agent Approach
Chemical process optimization is crucial to maximize production efficiency and economic performance. Traditional methods, including gradient-based solvers, evolutionary algorithms, and parameter grid searches, become impractical when operating constraints are ill-defined or unavailable, requiring engineers to rely on subjective heuristics to estimate feasible parameter ranges. To address this constraint definition bottleneck, we present a multi-agent framework of large language model (LLM) agents that autonomously infer operating constraints from minimal process descriptions, then collaboratively guide optimization using the inferred constraints. Our AutoGen-based agentic framework employs OpenAI's o3 model, with specialized agents for constraint generation, parameter validation, simulation execution, and optimization guidance. Through two phases - autonomous constraint generation using embedded domain knowledge, followed by iterative multi-agent optimization - the framework eliminates the need for predefined operational bounds. Validated on the hydrodealkylation process across cost, yield, and yield-to-cost ratio metrics, the framework demonstrated competitive performance with conventional optimization methods while achieving better computational efficiency, requiring fewer iterations to converge. Our approach converged in under 20 minutes, achieving a 31-fold speedup over grid search. Beyond computational efficiency, the framework's reasoning-guided search demonstrates sophisticated process understanding, correctly identifying utility trade-offs, and applying domain-informed heuristics. This approach shows significant potential for optimization scenarios where operational constraints are poorly characterized or unavailable, particularly for emerging processes and retrofit applications.
comment: 16 pages (main manuscript without references), 2 figures
☆ Explainable AI for Radar Resource Management: Modified LIME in Deep Reinforcement Learning
Deep reinforcement learning has been extensively studied in decision-making processes and has demonstrated superior performance over conventional approaches in various fields, including radar resource management (RRM). However, a notable limitation of neural networks is their ``black box" nature and recent research work has increasingly focused on explainable AI (XAI) techniques to describe the rationale behind neural network decisions. One promising XAI method is local interpretable model-agnostic explanations (LIME). However, the sampling process in LIME ignores the correlations between features. In this paper, we propose a modified LIME approach that integrates deep learning (DL) into the sampling process, which we refer to as DL-LIME. We employ DL-LIME within deep reinforcement learning for radar resource management. Numerical results show that DL-LIME outperforms conventional LIME in terms of both fidelity and task performance, demonstrating superior performance with both metrics. DL-LIME also provides insights on which factors are more important in decision making for radar resource management.
☆ ZKPROV: A Zero-Knowledge Approach to Dataset Provenance for Large Language Models
As the deployment of large language models (LLMs) grows in sensitive domains, ensuring the integrity of their computational provenance becomes a critical challenge, particularly in regulated sectors such as healthcare, where strict requirements are applied in dataset usage. We introduce ZKPROV, a novel cryptographic framework that enables zero-knowledge proofs of LLM provenance. It allows users to verify that a model is trained on a reliable dataset without revealing sensitive information about it or its parameters. Unlike prior approaches that focus on complete verification of the training process (incurring significant computational cost) or depend on trusted execution environments, ZKPROV offers a distinct balance. Our method cryptographically binds a trained model to its authorized training dataset(s) through zero-knowledge proofs while avoiding proof of every training step. By leveraging dataset-signed metadata and compact model parameter commitments, ZKPROV provides sound and privacy-preserving assurances that the result of the LLM is derived from a model trained on the claimed authorized and relevant dataset. Experimental results demonstrate the efficiency and scalability of the ZKPROV in generating this proof and verifying it, achieving a practical solution for real-world deployments. We also provide formal security guarantees, proving that our approach preserves dataset confidentiality while ensuring trustworthy dataset provenance.
comment: 12 pages, 1 figure
☆ Faster Fixed-Point Methods for Multichain MDPs
We study value-iteration (VI) algorithms for solving general (a.k.a. multichain) Markov decision processes (MDPs) under the average-reward criterion, a fundamental but theoretically challenging setting. Beyond the difficulties inherent to all average-reward problems posed by the lack of contractivity and non-uniqueness of solutions to the Bellman operator, in the multichain setting an optimal policy must solve the navigation subproblem of steering towards the best connected component, in addition to optimizing long-run performance within each component. We develop algorithms which better solve this navigational subproblem in order to achieve faster convergence for multichain MDPs, obtaining improved rates of convergence and sharper measures of complexity relative to prior work. Many key components of our results are of potential independent interest, including novel connections between average-reward and discounted problems, optimal fixed-point methods for discounted VI which extend to general Banach spaces, new sublinear convergence rates for the discounted value error, and refined suboptimality decompositions for multichain MDPs. Overall our results yield faster convergence rates for discounted and average-reward problems and expand the theoretical foundations of VI approaches.
☆ Optimal Single-Policy Sample Complexity and Transient Coverage for Average-Reward Offline RL
We study offline reinforcement learning in average-reward MDPs, which presents increased challenges from the perspectives of distribution shift and non-uniform coverage, and has been relatively underexamined from a theoretical perspective. While previous work obtains performance guarantees under single-policy data coverage assumptions, such guarantees utilize additional complexity measures which are uniform over all policies, such as the uniform mixing time. We develop sharp guarantees depending only on the target policy, specifically the bias span and a novel policy hitting radius, yielding the first fully single-policy sample complexity bound for average-reward offline RL. We are also the first to handle general weakly communicating MDPs, contrasting restrictive structural assumptions made in prior work. To achieve this, we introduce an algorithm based on pessimistic discounted value iteration enhanced by a novel quantile clipping technique, which enables the use of a sharper empirical-span-based penalty function. Our algorithm also does not require any prior parameter knowledge for its implementation. Remarkably, we show via hard examples that learning under our conditions requires coverage assumptions beyond the stationary distribution of the target policy, distinguishing single-policy complexity measures from previously examined cases. We also develop lower bounds nearly matching our main result.
☆ Graph-Structured Feedback Multimodel Ensemble Online Conformal Prediction
Online conformal prediction has demonstrated its capability to construct a prediction set for each incoming data point that covers the true label with a predetermined probability. To cope with potential distribution shift, multi-model online conformal prediction has been introduced to select and leverage different models from a preselected candidate set. Along with the improved flexibility, the choice of the preselected set also brings challenges. A candidate set that includes a large number of models may increase the computational complexity. In addition, the inclusion of irrelevant models with poor performance may negatively impact the performance and lead to unnecessarily large prediction sets. To address these challenges, we propose a novel multi-model online conformal prediction algorithm that identifies a subset of effective models at each time step by collecting feedback from a bipartite graph, which is refined upon receiving new data. A model is then selected from this subset to construct the prediction set, resulting in reduced computational complexity and smaller prediction sets. Additionally, we demonstrate that using prediction set size as feedback, alongside model loss, can significantly improve efficiency by constructing smaller prediction sets while still satisfying the required coverage guarantee. The proposed algorithms are proven to ensure valid coverage and achieve sublinear regret. Experiments on real and synthetic datasets validate that the proposed methods construct smaller prediction sets and outperform existing multi-model online conformal prediction approaches.
♻ ☆ Chain-of-Sketch: Enabling Global Visual Reasoning
Modern vision models have achieved remarkable success in benchmarks where local features provide critical information about the target. There is now a growing interest in tackling tasks requiring more global reasoning, where local features do not provide significant information. Minsky and Papert put forward such tasks in 1969 with their connectivity study, exposing the limitations of the perceptron model. In this paper, we introduce an expanded set of global visual datasets involving graphs, strings, mazes, and image grids. We show that large vision models still struggle to learn these tasks efficiently. Similarly, state-of-the-art multi-modal LLMs perform poorly on these datasets. We explain this learning inefficiency by means of the 'globality degree' measure. To mitigate this, we propose a method called chain-of-sketch (CoS). Similar to the chain-of-thought and scratchpad techniques used in language models, CoS breaks the original task into intermediate visual steps to help learn a complex task. In addition, we show that not all CoS strategies perform equally well. Our key insight is to impose a Markovian structure on the CoS frames. This leads to the introduction of 'inductive CoS' which achieves better out-of-distribution generalization and performs well even with smaller models compared to non-inductive variants.
comment: additional experiments added, title changed from "Visual Scratchpads: Enabling Global Reasoning in Vision" to "Chain-of-Sketch: Enabling Global Visual Reasoning"
♻ ☆ Mesh-Informed Neural Operator : A Transformer Generative Approach
Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While functional generative models are theoretically domain- and discretization-agnostic, current implementations heavily rely on the Fourier Neural Operator (FNO), limiting their applicability to regular grids and rectangular domains. To overcome these critical limitations, we introduce the Mesh-Informed Neural Operator (MINO). By leveraging graph neural operators and cross-attention mechanisms, MINO offers a principled, domain- and discretization-agnostic backbone for generative modeling in function spaces. This advancement significantly expands the scope of such models to more diverse applications in generative, inverse, and regression tasks. Furthermore, MINO provides a unified perspective on integrating neural operators with general advanced deep learning architectures. Finally, we introduce a suite of standardized evaluation metrics that enable objective comparison of functional generative models, addressing another critical gap in the field.
♻ ☆ Efficiently Escaping Saddle Points under Generalized Smoothness via Self-Bounding Regularity
We study the optimization of non-convex functions that are not necessarily smooth (gradient and/or Hessian are Lipschitz) using first order methods. Smoothness is a restrictive assumption in machine learning in both theory and practice, motivating significant recent work on finding first order stationary points of functions satisfying generalizations of smoothness with first order methods. We develop a novel framework that lets us systematically study the convergence of a large class of first-order optimization algorithms (which we call decrease procedures) under generalizations of smoothness. We instantiate our framework to analyze the convergence of first order optimization algorithms to first and \textit{second} order stationary points under generalizations of smoothness. As a consequence, we establish the first convergence guarantees for first order methods to second order stationary points under generalizations of smoothness. We demonstrate that several canonical examples fall under our framework, and highlight practical implications.
♻ ☆ NY Real Estate Racial Equity Analysis via Applied Machine Learning
This study analyzes tract-level real estate ownership patterns in New York State (NYS) and New York City (NYC) to uncover racial disparities. We use an advanced race/ethnicity imputation model (LSTM+Geo with XGBoost filtering, validated at 89.2% accuracy) to compare the predicted racial composition of property owners to the resident population from census data. We examine both a Full Model (statewide) and a Name-Only LSTM Model (NYC) to assess how incorporating geospatial context affects our predictions and disparity estimates. The results reveal significant inequities: White individuals hold a disproportionate share of properties and property value relative to their population, while Black, Hispanic, and Asian communities are underrepresented as property owners. These disparities are most pronounced in minority-majority neighborhoods, where ownership is predominantly White despite a predominantly non-White population. Corporate ownership (LLCs, trusts, etc.) exacerbates these gaps by reducing owner-occupied opportunities in urban minority communities. We provide a breakdown of ownership vs. population by race for majority-White, -Black, -Hispanic, and -Asian tracts, identify those with extreme ownership disparities, and compare patterns in urban, suburban, and rural contexts. The findings underscore persistent racial inequity in property ownership, reflecting broader historical and socio-economic forces, and highlight the importance of data-driven approaches to address these issues.
comment: updated/replaced stale reference links. Added narrative covering gentrification, racial capitalism, financialization of housing, and segregation. Moved model details to appendices. Added Nivea
♻ ☆ Multi-Preference Lambda-weighted Listwise DPO for Dynamic Preference Alignment AAAI 2026
While large-scale unsupervised language models (LMs) capture broad world knowledge and reasoning capabilities, steering their behavior toward desired objectives remains challenging due to the lack of explicit supervision. Existing alignment techniques, such as reinforcement learning from human feedback (RLHF), rely on training a reward model and performing reinforcement learning to align with human preferences. However, RLHF is often computationally intensive, unstable, and sensitive to hyperparameters. To address these limitations, Direct Preference Optimization (DPO) was introduced as a lightweight and stable alternative, enabling direct alignment of language models with pairwise preference data via classification loss. However, DPO and its extensions generally assume a single static preference distribution, limiting flexibility in multi-objective or dynamic alignment settings. In this paper, we propose a novel framework: Multi-Preference Lambda-weighted Listwise DPO, which extends DPO to incorporate multiple human preference dimensions (e.g., helpfulness, harmlessness, informativeness) and enables dynamic interpolation through a controllable simplex-weighted formulation. Our method supports both listwise preference feedback and flexible alignment across varying user intents without re-training. Empirical and theoretical analysis demonstrates that our method is as effective as traditional DPO on static objectives while offering greater generality and adaptability for real-world deployment.
comment: 10 pages, 4 figures, appendix included. To appear in Proceedings of AAAI 2026. Code: https://github.com/yuhui15/Multi-Preference-Lambda-weighted-DPO
♻ ☆ One Model to Forecast Them All and in Entity Distributions Bind Them
Probabilistic forecasting in power systems often involves multi-entity datasets like households, feeders, and wind turbines, where generating reliable entity-specific forecasts presents significant challenges. Traditional approaches require training individual models for each entity, making them inefficient and hard to scale. This study addresses this problem using GUIDE-VAE, a conditional variational autoencoder that allows entity-specific probabilistic forecasting using a single model. GUIDE-VAE provides flexible outputs, ranging from interpretable point estimates to full probability distributions, thanks to its advanced covariance composition structure. These distributions capture uncertainty and temporal dependencies, offering richer insights than traditional methods. To evaluate our GUIDE-VAE-based forecaster, we use household electricity consumption data as a case study due to its multi-entity and highly stochastic nature. Experimental results demonstrate that GUIDE-VAE outperforms conventional quantile regression techniques across key metrics while ensuring scalability and versatility. These features make GUIDE-VAE a powerful and generalizable tool for probabilistic forecasting tasks, with potential applications beyond household electricity consumption.
♻ ☆ Prompting with Phonemes: Enhancing LLMs' Multilinguality for Non-Latin Script Languages NAACL 2025
Although multilingual LLMs have achieved remarkable performance across benchmarks, we find they continue to underperform on non-Latin script languages across contemporary LLM families. This discrepancy arises from the fact that LLMs are pretrained with orthographic scripts, which are dominated by Latin characters that obscure their shared phonology with non-Latin scripts. We propose leveraging phonemic transcriptions as complementary signals to induce script-invariant representations. Our study demonstrates that integrating phonemic signals improves performance across both non-Latin and Latin script languages, with a particularly significant impact on closing the performance gap between the two. Through detailed experiments, we show that phonemic and orthographic scripts retrieve distinct examples for in-context learning (ICL). This motivates our proposed Mixed-ICL retrieval strategy, where further aggregation from both leads to our significant performance improvements for both Latin script languages (up to 12.6%) and non-Latin script languages (up to 15.1%) compared to randomized ICL retrieval.
comment: Accepted to NAACL 2025 (Main Conference). This version contains minor improvements to the camera-ready
♻ ☆ From Web Search towards Agentic Deep Research: Incentivizing Search with Reasoning Agents
Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex, multi-step information needs. Our position is that Large Language Models (LLMs), endowed with reasoning and agentic capabilities, are ushering in a new paradigm termed Agentic Deep Research. These systems transcend conventional information search techniques by tightly integrating autonomous reasoning, iterative retrieval, and information synthesis into a dynamic feedback loop. We trace the evolution from static web search to interactive, agent-based systems that plan, explore, and learn. We also introduce a test-time scaling law to formalize the impact of computational depth on reasoning and search. Supported by benchmark results and the rise of open-source implementations, we demonstrate that Agentic Deep Research not only significantly outperforms existing approaches, but is also poised to become the dominant paradigm for future information seeking. All the related resources, including industry products, research papers, benchmark datasets, and open-source implementations, are collected for the community in https://github.com/DavidZWZ/Awesome-Deep-Research.
♻ ☆ In-Context Learning Strategies Emerge Rationally
Recent work analyzing in-context learning (ICL) has identified a broad set of strategies that describe model behavior in different experimental conditions. We aim to unify these findings by asking why a model learns these disparate strategies in the first place. Specifically, we start with the observation that when trained to learn a mixture of tasks, as is popular in the literature, the strategies learned by a model for performing ICL can be captured by a family of Bayesian predictors: a memorizing predictor, which assumes a discrete prior on the set of seen tasks, and a generalizing predictor, where the prior matches the underlying task distribution. Adopting the normative lens of rational analysis, where a learner's behavior is explained as an optimal adaptation to data given computational constraints, we develop a hierarchical Bayesian framework that almost perfectly predicts Transformer next-token predictions throughout training -- without assuming access to its weights. Under this framework, pretraining is viewed as a process of updating the posterior probability of different strategies, and inference-time behavior as a posterior-weighted average over these strategies' predictions. Our framework draws on common assumptions about neural network learning dynamics, which make explicit a tradeoff between loss and complexity among candidate strategies: beyond how well it explains the data, a model's preference towards implementing a strategy is dictated by its complexity. This helps explain well-known ICL phenomena, while offering novel predictions: e.g., we show a superlinear trend in the timescale for transitioning from generalization to memorization as task diversity increases. Overall, our work advances an explanatory and predictive account of ICL grounded in tradeoffs between strategy loss and complexity.
comment: Preprint
♻ ☆ Capacity-Constrained Online Learning with Delays: Scheduling Frameworks and Regret Trade-offs
We study online learning with oblivious losses and delays under a novel ``capacity constraint'' that limits how many past rounds can be tracked simultaneously for delayed feedback. Under ``clairvoyance'' (i.e., delay durations are revealed upfront each round) and/or ``preemptibility'' (i.e., we can stop tracking previously chosen round feedback), we establish matching upper and lower bounds (up to logarithmic terms) on achievable regret, characterizing the ``optimal capacity'' needed to match the minimax rates of classical delayed online learning, which implicitly assume unlimited capacity. Our algorithms achieve minimax-optimal regret across all capacity levels, with performance gracefully degrading under suboptimal capacity. For $K$ actions and total delay $D$ over $T$ rounds, under clairvoyance and assuming capacity $C = \Omega(\log(T))$, we achieve regret $\widetilde{\Theta}(\sqrt{TK + DK/C + D\log(K)})$ for bandits and $\widetilde{\Theta}(\sqrt{(D+T)\log(K)})$ for full-information feedback. When replacing clairvoyance with preemptibility, we require a known maximum delay bound $d_{\max}$, adding ${\widetilde{O}(d_{\max})}$ to the regret. For fixed delays $d$ (i.e., $D=Td$), the minimax regret is $\Theta(\sqrt{TK(1+d/C)+Td\log(K)})$ and the optimal capacity is $\Theta(\min\{K/\log(K),d\})$ in the bandit setting, while in the full-information feedback setting, the minimax regret is $\Theta(\sqrt{T(d+1)\log(K)})$ and the optimal capacity is $\Theta(1)$. For round-dependent and fixed delays, our upper bounds are achieved using novel preemptive and non-preemptive scheduling policies, based on Pareto-distributed proxy delays, and batching techniques, respectively. Crucially, our work unifies delayed bandits, label-efficient learning, and online scheduling frameworks, demonstrating that robust online learning under delayed feedback is possible with surprisingly modest tracking capacity.
♻ ☆ Fake it till You Make it: Reward Modeling as Discriminative Prediction
An effective reward model plays a pivotal role in reinforcement learning for post-training enhancement of visual generative models. However, current approaches of reward modeling suffer from implementation complexity due to their reliance on extensive human-annotated preference data or meticulously engineered quality dimensions that are often incomplete and engineering-intensive. Inspired by adversarial training in generative adversarial networks (GANs), this paper proposes GAN-RM, an efficient reward modeling framework that eliminates manual preference annotation and explicit quality dimension engineering. Our method trains the reward model through discrimination between a small set of representative, unpaired target samples(denoted as Preference Proxy Data) and model-generated ordinary outputs, requiring only a few hundred target samples. Comprehensive experiments demonstrate our GAN-RM's effectiveness across multiple key applications including test-time scaling implemented as Best-of-N sample filtering, post-training approaches like Supervised Fine-Tuning (SFT) and Direct Preference Optimization (DPO). Code and data will be released at https://github.com/Visualignment/GAN-RM.
Measurement to Meaning: A Validity-Centered Framework for AI Evaluation
While the capabilities and utility of AI systems have advanced, rigorous norms for evaluating these systems have lagged. Grand claims, such as models achieving general reasoning capabilities, are supported with model performance on narrow benchmarks, like performance on graduate-level exam questions, which provide a limited and potentially misleading assessment. We provide a structured approach for reasoning about the types of evaluative claims that can be made given the available evidence. For instance, our framework helps determine whether performance on a mathematical benchmark is an indication of the ability to solve problems on math tests or instead indicates a broader ability to reason. Our framework is well-suited for the contemporary paradigm in machine learning, where various stakeholders provide measurements and evaluations that downstream users use to validate their claims and decisions. At the same time, our framework also informs the construction of evaluations designed to speak to the validity of the relevant claims. By leveraging psychometrics' breakdown of validity, evaluations can prioritize the most critical facets for a given claim, improving empirical utility and decision-making efficacy. We illustrate our framework through detailed case studies of vision and language model evaluations, highlighting how explicitly considering validity strengthens the connection between evaluation evidence and the claims being made.
comment: Correspondence to olawale@mit.edu
♻ ☆ PARALLELPROMPT: Extracting Parallelism from Large Language Model Queries
LLM serving systems typically treat user prompts as monolithic inputs, optimizing inference through decoding tricks or inter-query batching. However, many real-world prompts contain latent semantic parallelism--decomposable structures where subtasks can be executed independently to reduce latency while preserving meaning. We introduce PARALLELPROMPT, the first benchmark for measuring intra-query parallelism in natural user prompts. Our dataset comprises over 37,000 real-world prompts from public LLM chat logs, each annotated with a structured schema capturing task templates, shared context, and iteration inputs. These schemas are extracted using LLM-assisted prompting with rule-based multilingual validation. To evaluate the benefits of decomposition, we provide an execution suite that benchmarks serial vs. parallel strategies, measuring latency, structural adherence, and semantic fidelity. Our results show that intra-query parallelism can be successfully parsed in over 75% of curated datasets, unlocking up to 5x speedups on tasks like translation, comprehension, and comparative analysis, with minimal quality degradation. By releasing this benchmark, curation pipeline, and evaluation suite, we provide the first standardized testbed for studying structure-aware execution in LLM serving pipelines.
comment: In Adaptive Foundation Models: Evolving AI for Personalized and Efficient Learning
♻ ☆ New Bounds for Sparse Variational Gaussian Processes
Sparse variational Gaussian processes (GPs) construct tractable posterior approximations to GP models. At the core of these methods is the assumption that the true posterior distribution over training function values ${\bf f}$ and inducing variables ${\bf u}$ is approximated by a variational distribution that incorporates the conditional GP prior $p({\bf f} | {\bf u})$ in its factorization. While this assumption is considered as fundamental, we show that for model training we can relax it through the use of a more general variational distribution $q({\bf f} | {\bf u})$ that depends on $N$ extra parameters, where $N$ is the number of training examples. In GP regression, we can analytically optimize the evidence lower bound over the extra parameters and express a tractable collapsed bound that is tighter than the previous bound. The new bound is also amenable to stochastic optimization and its implementation requires minor modifications to existing sparse GP code. Further, we also describe extensions to non-Gaussian likelihoods. On several datasets we demonstrate that our method can reduce bias when learning the hyperparameters and can lead to better predictive performance.
comment: 18 pages, 5 figures
♻ ☆ Explainability of Large Language Models using SMILE: Statistical Model-agnostic Interpretability with Local Explanations
Large language models like GPT, LLAMA, and Claude have become incredibly powerful at generating text, but they are still black boxes, so it is hard to understand how they decide what to say. That lack of transparency can be problematic, especially in fields where trust and accountability matter. To help with this, we introduce SMILE, a new method that explains how these models respond to different parts of a prompt. SMILE is model-agnostic and works by slightly changing the input, measuring how the output changes, and then highlighting which words had the most impact. Create simple visual heat maps showing which parts of a prompt matter the most. We tested SMILE on several leading LLMs and used metrics such as accuracy, consistency, stability, and fidelity to show that it gives clear and reliable explanations. By making these models easier to understand, SMILE brings us one step closer to making AI more transparent and trustworthy.
comment: The submission contains incorrect references that require substantial revision
♻ ☆ Graph Neural Network for Neutrino Physics Event Reconstruction
Liquid Argon Time Projection Chamber (LArTPC) detector technology offers a wealth of high-resolution information on particle interactions, and leveraging that information to its full potential requires sophisticated automated reconstruction techniques. This article describes NuGraph2, a Graph Neural Network (GNN) for low-level reconstruction of simulated neutrino interactions in a LArTPC detector. Simulated neutrino interactions in the MicroBooNE detector geometry are described as heterogeneous graphs, with energy depositions on each detector plane forming nodes on planar subgraphs. The network utilizes a multi-head attention message-passing mechanism to perform background filtering and semantic labelling on these graph nodes, identifying those associated with the primary physics interaction with 98.0\% efficiency and labelling them according to particle type with 94.9\% efficiency. The network operates directly on detector observables across multiple 2D representations, but utilizes a 3D-context-aware mechanism to encourage consistency between these representations. Model inference takes 0.12~s/event on a CPU, and 0.005s/event batched on a GPU. This architecture is designed to be a general-purpose solution for particle reconstruction in neutrino physics, with the potential for deployment across a broad range of detector technologies, and offers a core convolution engine that can be leveraged for a variety of tasks beyond the two described in this article.
comment: 18 pages, 14 figures, published in Physical Review D
♻ ☆ The Sample Complexity of Learning Lipschitz Operators with respect to Gaussian Measures
Operator learning, the approximation of mappings between infinite-dimensional function spaces using machine learning, has gained increasing research attention in recent years. Approximate operators, learned from data, can serve as efficient surrogate models for problems in computational science and engineering, complementing traditional methods. However, despite their empirical success, our understanding of the underlying mathematical theory is in large part still incomplete. In this paper, we study the approximation of Lipschitz operators with respect to Gaussian measures. We prove higher Gaussian Sobolev regularity of Lipschitz operators and establish lower and upper bounds on the Hermite polynomial approximation error. We then study general reconstruction strategies of Lipschitz operators from $m$ arbitrary (potentially adaptive) linear samples. As a key finding, we tightly characterize the corresponding sample complexity, that is, the smallest achievable worst-case error among all possible choices of (adaptive) sampling and reconstruction strategies in terms of $m$. As a consequence, we identify an inherent curse of sample complexity: No method to approximate Lipschitz operators based on $m$ linear samples can achieve algebraic convergence rates in $m$. On the positive side, we prove that a sufficiently fast spectral decay of the covariance operator of the underlying Gaussian measure guarantees convergence rates which are arbitrarily close to any algebraic rate. Overall, by tightly characterizing the sample complexity, our work confirms the intrinsic difficulty of learning Lipschitz operators, regardless of the data or learning technique.
comment: Section 6 about pointwise sampling in v2 of this paper has been cut and will appear elsewhere
♻ ☆ TracLLM: A Generic Framework for Attributing Long Context LLMs
Long context large language models (LLMs) are deployed in many real-world applications such as RAG, agent, and broad LLM-integrated applications. Given an instruction and a long context (e.g., documents, PDF files, webpages), a long context LLM can generate an output grounded in the provided context, aiming to provide more accurate, up-to-date, and verifiable outputs while reducing hallucinations and unsupported claims. This raises a research question: how to pinpoint the texts (e.g., sentences, passages, or paragraphs) in the context that contribute most to or are responsible for the generated output by an LLM? This process, which we call context traceback, has various real-world applications, such as 1) debugging LLM-based systems, 2) conducting post-attack forensic analysis for attacks (e.g., prompt injection attack, knowledge corruption attacks) to an LLM, and 3) highlighting knowledge sources to enhance the trust of users towards outputs generated by LLMs. When applied to context traceback for long context LLMs, existing feature attribution methods such as Shapley have sub-optimal performance and/or incur a large computational cost. In this work, we develop TracLLM, the first generic context traceback framework tailored to long context LLMs. Our framework can improve the effectiveness and efficiency of existing feature attribution methods. To improve the efficiency, we develop an informed search based algorithm in TracLLM. We also develop contribution score ensemble/denoising techniques to improve the accuracy of TracLLM. Our evaluation results show TracLLM can effectively identify texts in a long context that lead to the output of an LLM. Our code and data are at: https://github.com/Wang-Yanting/TracLLM.
comment: To appear in USENIX Security Symposium 2025. The code and data are at: https://github.com/Wang-Yanting/TracLLM
♻ ☆ Continual Learning as Computationally Constrained Reinforcement Learning
An agent that efficiently accumulates knowledge to develop increasingly sophisticated skills over a long lifetime could advance the frontier of artificial intelligence capabilities. The design of such agents, which remains a long-standing challenge of artificial intelligence, is addressed by the subject of continual learning. This monograph clarifies and formalizes concepts of continual learning, introducing a framework and set of tools to stimulate further research.
♻ ☆ Improving Stochastic Cubic Newton with Momentum
We study stochastic second-order methods for solving general non-convex optimization problems. We propose using a special version of momentum to stabilize the stochastic gradient and Hessian estimates in Newton's method. We show that momentum provably improves the variance of stochastic estimates and allows the method to converge for any noise level. Using the cubic regularization technique, we prove a global convergence rate for our method on general non-convex problems to a second-order stationary point, even when using only a single stochastic data sample per iteration. This starkly contrasts with all existing stochastic second-order methods for non-convex problems, which typically require large batches. Therefore, we are the first to demonstrate global convergence for batches of arbitrary size in the non-convex case for the Stochastic Cubic Newton. Additionally, we show improved speed on convex stochastic problems for our regularized Newton methods with momentum.
♻ ☆ Action-Minimization Meets Generative Modeling: Efficient Transition Path Sampling with the Onsager-Machlup Functional ICML 2025
Transition path sampling (TPS), which involves finding probable paths connecting two points on an energy landscape, remains a challenge due to the complexity of real-world atomistic systems. Current machine learning approaches use expensive, task-specific, and data-free training procedures, limiting their ability to benefit from high-quality datasets and large-scale pre-trained models. In this work, we address TPS by interpreting candidate paths as trajectories sampled from stochastic dynamics induced by the learned score function of pre-trained generative models, specifically denoising diffusion and flow matching. Under these dynamics, finding high-likelihood transition paths becomes equivalent to minimizing the Onsager-Machlup (OM) action functional. This enables us to repurpose pre-trained generative models for TPS in a zero-shot manner, in contrast with bespoke, task-specific approaches in previous work. We demonstrate our approach on varied molecular systems, obtaining diverse, physically realistic transition pathways and generalizing beyond the pre-trained model's original training dataset. Our method can be easily incorporated into new generative models, making it practically relevant as models continue to scale and improve with increased data availability. Code is available at github.com/ASK-Berkeley/OM-TPS.
comment: ICML 2025
♻ ☆ Representation Learning of Lab Values via Masked AutoEncoders
Accurate imputation of missing laboratory values in electronic health records (EHRs) is critical to enable robust clinical predictions and reduce biases in AI systems in healthcare. Existing methods, such as XGBoost, softimpute, GAIN, Expectation Maximization (EM), and MICE, struggle to model the complex temporal and contextual dependencies in EHR data, particularly in underrepresented groups. In this work, we propose Lab-MAE, a novel transformer-based masked autoencoder framework that leverages self-supervised learning for the imputation of continuous sequential lab values. Lab-MAE introduces a structured encoding scheme that jointly models laboratory test values and their corresponding timestamps, enabling explicit capturing temporal dependencies. Empirical evaluation on the MIMIC-IV dataset demonstrates that Lab-MAE significantly outperforms state-of-the-art baselines such as XGBoost, softimpute, GAIN, EM, and MICE across multiple metrics, including root mean square error (RMSE), R-squared (R2), and Wasserstein distance (WD). Notably, Lab-MAE achieves equitable performance across demographic groups of patients, advancing fairness in clinical predictions. We further investigate the role of follow-up laboratory values as potential shortcut features, revealing Lab-MAE's robustness in scenarios where such data is unavailable. The findings suggest that our transformer-based architecture, adapted to the characteristics of EHR data, offers a foundation model for more accurate and fair clinical imputation. In addition, we measure and compare the carbon footprint of Lab-MAE with the a XGBoost model, highlighting its environmental requirements.
comment: 14 pages of main text, 11 appendix
♻ ☆ HARPT: A Corpus for Analyzing Consumers' Trust and Privacy Concerns in Mobile Health Apps
We present HARPT, a large-scale annotated corpus of mobile health app store reviews aimed at advancing research in user privacy and trust. The dataset comprises over 480,000 user reviews labeled into seven categories that capture critical aspects of trust in applications, trust in providers and privacy concerns. Creating HARPT required addressing multiple complexities, such as defining a nuanced label schema, isolating relevant content from large volumes of noisy data, and designing an annotation strategy that balanced scalability with accuracy. This strategy integrated rule-based filtering, iterative manual labeling with review, targeted data augmentation, and weak supervision using transformer-based classifiers to accelerate coverage. In parallel, a carefully curated subset of 7,000 reviews was manually annotated to support model development and evaluation. We benchmark a broad range of classification models, demonstrating that strong performance is achievable and providing a baseline for future research. HARPT is released as a public resource to support work in health informatics, cybersecurity, and natural language processing.
♻ ☆ Latent Diffusion Model Based Denoising Receiver for 6G Semantic Communication: From Stochastic Differential Theory to Application
In this paper, a novel semantic communication framework empowered by generative artificial intelligence (GAI) is proposed, to enhance the robustness against both channel noise and transmission data distribution shifts. A theoretical foundation is established using stochastic differential equations (SDEs), from which a closed-form mapping between any signal-to-noise ratio (SNR) and the optimal denoising timestep is derived. Moreover, to address distribution mismatch, a mathematical scaling method is introduced to align received semantic features with the training distribution of the GAI. Built on this theoretical foundation, a latent diffusion model (LDM)-based semantic communication framework is proposed that combines a variational autoencoder for semantic features extraction, where a pretrained diffusion model is used for denoising. The proposed system is a training-free framework that supports zero-shot generalization, and achieves superior performance under low-SNR and out-of-distribution conditions, offering a scalable and robust solution for future 6G semantic communication systems. Experimental results demonstrate that the proposed semantic communication framework achieves state-of-the-art performance in both pixel-level accuracy and semantic perceptual quality, consistently outperforming baselines across a wide range of SNRs and data distributions without any fine-tuning or post-training.
♻ ☆ On the Ability of Deep Networks to Learn Symmetries from Data: A Neural Kernel Theory
Symmetries (transformations by group actions) are present in many datasets, and leveraging them holds considerable promise for improving predictions in machine learning. In this work, we aim to understand when and how deep networks -- with standard architectures trained in a standard, supervised way -- learn symmetries from data. Inspired by real-world scenarios, we study a classification paradigm where data symmetries are only partially observed during training: some classes include all transformations of a cyclic group, while others -- only a subset. In the infinite-width limit, where kernel analogies apply, we derive a neural kernel theory of symmetry learning. The group-cyclic nature of the dataset allows us to analyze the Gram matrix of neural kernels in the Fourier domain; here we find a simple characterization of the generalization error as a function of class separation (signal) and class-orbit density (noise). This characterization reveals that generalization can only be successful when the local structure of the data prevails over its non-local, symmetry-induced structure, in the kernel space defined by the architecture. We extend our theoretical treatment to any finite group, including non-abelian groups. Our framework also applies to equivariant architectures (e.g., CNNs), and recovers their success in the special case where the architecture matches the inherent symmetry of the data. Empirically, our theory reproduces the generalization failure of finite-width networks (MLP, CNN, ViT) trained on partially observed versions of rotated-MNIST. We conclude that conventional deep networks lack a mechanism to learn symmetries that have not been explicitly embedded in their architecture a priori. Our framework could be extended to guide the design of architectures and training procedures able to learn symmetries from data.
comment: JMLR accepted version, including an extension of the theory to general finite groups (including non-abelian groups)
♻ ☆ Learning Value of Information towards Joint Communication and Control in 6G V2X
As Cellular Vehicle-to-Everything (C-V2X) evolves towards future sixth-generation (6G) networks, Connected Autonomous Vehicles (CAVs) are emerging to become a key application. Leveraging data-driven Machine Learning (ML), especially Deep Reinforcement Learning (DRL), is expected to significantly enhance CAV decision-making in both vehicle control and V2X communication under uncertainty. These two decision-making processes are closely intertwined, with the value of information (VoI) acting as a crucial bridge between them. In this paper, we introduce Sequential Stochastic Decision Process (SSDP) models to define and assess VoI, demonstrating their application in optimizing communication systems for CAVs. Specifically, we formally define the SSDP model and demonstrate that the MDP model is a special case of it. The SSDP model offers a key advantage by explicitly representing the set of information that can enhance decision-making when available. Furthermore, as current research on VoI remains fragmented, we propose a systematic VoI modeling framework grounded in the MDP, Reinforcement Learning (RL) and Optimal Control theories. We define different categories of VoI and discuss their corresponding estimation methods. Finally, we present a structured approach to leverage the various VoI metrics for optimizing the ``When", ``What", and ``How" to communicate problems. For this purpose, SSDP models are formulated with VoI-associated reward functions derived from VoI-based optimization objectives. While we use a simple vehicle-following control problem to illustrate the proposed methodology, it holds significant potential to facilitate the joint optimization of stochastic, sequential control and communication decisions in a wide range of networked control systems.
♻ ☆ PuriDefense: Randomized Local Implicit Adversarial Purification for Defending Black-box Query-based Attacks
Black-box query-based attacks constitute significant threats to Machine Learning as a Service (MLaaS) systems since they can generate adversarial examples without accessing the target model's architecture and parameters. Traditional defense mechanisms, such as adversarial training, gradient masking, and input transformations, either impose substantial computational costs or compromise the test accuracy of non-adversarial inputs. To address these challenges, we propose an efficient defense mechanism, PuriDefense, that employs random patch-wise purifications with an ensemble of lightweight purification models at a low level of inference cost. These models leverage the local implicit function and rebuild the natural image manifold. Our theoretical analysis suggests that this approach slows down the convergence of query-based attacks by incorporating randomness into purifications. Extensive experiments on CIFAR-10 and ImageNet validate the effectiveness of our proposed purifier-based defense mechanism, demonstrating significant improvements in robustness against query-based attacks.
♻ ☆ Regret Bounds for Robust Online Decision Making
We propose a framework which generalizes "decision making with structured observations" by allowing robust (i.e. multivalued) models. In this framework, each model associates each decision with a convex set of probability distributions over outcomes. Nature can choose distributions out of this set in an arbitrary (adversarial) manner, that can be nonoblivious and depend on past history. The resulting framework offers much greater generality than classical bandits and reinforcement learning, since the realizability assumption becomes much weaker and more realistic. We then derive a theory of regret bounds for this framework. Although our lower and upper bounds are not tight, they are sufficient to fully characterize power-law learnability. We demonstrate this theory in two special cases: robust linear bandits and tabular robust online reinforcement learning. In both cases, we derive regret bounds that improve state-of-the-art (except that we do not address computational efficiency).
♻ ☆ A Scalable Quantum Neural Network for Approximate SRBB-Based Unitary Synthesis
In this work, a scalable quantum neural network is introduced as a means to approximate any unitary evolution through the Standard Recursive Block Basis (SRBB) and, subsequently, redesigned with a number of CNOTs asymptotically reduced by an exponential contribution. This algebraic approach to the problem of unitary synthesis exploits Lie algebras and their topological features to obtain scalable parameterizations of unitary operators. First, the original SRBB-based scalability scheme, already known in the literature only from a theoretical point of view, is reformulated for efficient algorithm implementation and complexity management. Remarkably, 2-qubit operators emerge as a special case outside the original scaling scheme. Furthermore, an algorithm is proposed to reduce the number of CNOTs, thus deriving a new implementable scaling scheme that requires only one layer of approximation. The scalable CNOT-reduced quantum neural network is implemented and its performance is assessed with a variety of different unitary matrices, both sparse and dense, up to 6 qubits via the PennyLane library. The effectiveness of the approximation is measured with different metrics in relation to two optimizers: a gradient-based method and the Nelder-Mead method. The approximate CNOT-reduced SRBB-based synthesis algorithm is also tested on real hardware and compared with other valid approximation and decomposition methods available in the literature.
♻ ☆ ScaleGNN: Towards Scalable Graph Neural Networks via Adaptive High-order Neighboring Feature Fusion
Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, when applied to large-scale real-world graphs, GNNs face two major challenges: First, it becomes increasingly difficult to ensure both scalability and efficiency, as the repeated aggregation of large neighborhoods leads to significant computational overhead; Second, the over-smoothing problem arises, where excessive or deep propagation makes node representations indistinguishable, severely hindering model expressiveness. To tackle these issues, we propose ScaleGNN, a novel framework that adaptively fuses multi-hop node features for both scalable and effective graph learning. First, we construct per-hop pure neighbor matrices that capture only the exclusive structural information at each hop, avoiding the redundancy of conventional aggregation. Then, an enhanced feature fusion strategy significantly balances low-order and high-order information, preserving both local detail and global correlations without incurring excessive complexity. To further reduce redundancy and over-smoothing, we introduce a Local Contribution Score (LCS)-based masking mechanism to filter out less relevant high-order neighbors, ensuring that only the most meaningful information is aggregated. In addition, learnable sparse constraints selectively integrate multi-hop valuable features, emphasizing the most informative high-order neighbors. Extensive experiments on real-world datasets demonstrate that ScaleGNN consistently outperforms state-of-the-art GNNs in both predictive accuracy and computational efficiency, highlighting its practical value for large-scale graph learning.
♻ ☆ Context-Aware Doubly-Robust Semi-Supervised Learning
The widespread adoption of artificial intelligence (AI) in next-generation communication systems is challenged by the heterogeneity of traffic and network conditions, which call for the use of highly contextual, site-specific, data. A promising solution is to rely not only on real-world data, but also on synthetic pseudo-data generated by a network digital twin (NDT). However, the effectiveness of this approach hinges on the accuracy of the NDT, which can vary widely across different contexts. To address this problem, this paper introduces context-aware doubly-robust (CDR) learning, a novel semi-supervised scheme that adapts its reliance on the pseudo-data to the different levels of fidelity of the NDT across contexts. CDR is evaluated on the task of downlink beamforming where it outperforms previous state-of-the-art approaches, providing a 24% loss decrease when compared to doubly-robust (DR) semi-supervised learning in regimes with low labeled data availability.
comment: This work has been accepted for publication in IEEE Signal Processing Letters
♻ ☆ Semantic Scene Graph for Ultrasound Image Explanation and Scanning Guidance
Understanding medical ultrasound imaging remains a long-standing challenge due to significant visual variability caused by differences in imaging and acquisition parameters. Recent advancements in large language models (LLMs) have been used to automatically generate terminology-rich summaries orientated to clinicians with sufficient physiological knowledge. Nevertheless, the increasing demand for improved ultrasound interpretability and basic scanning guidance among non-expert users, e.g., in point-of-care settings, has not yet been explored. In this study, we first introduce the scene graph (SG) for ultrasound images to explain image content to ordinary and provide guidance for ultrasound scanning. The ultrasound SG is first computed using a transformer-based one-stage method, eliminating the need for explicit object detection. To generate a graspable image explanation for ordinary, the user query is then used to further refine the abstract SG representation through LLMs. Additionally, the predicted SG is explored for its potential in guiding ultrasound scanning toward missing anatomies within the current imaging view, assisting ordinary users in achieving more standardized and complete anatomical exploration. The effectiveness of this SG-based image explanation and scanning guidance has been validated on images from the left and right neck regions, including the carotid and thyroid, across five volunteers. The results demonstrate the potential of the method to maximally democratize ultrasound by enhancing its interpretability and usability for ordinaries.
♻ ☆ Devil's Hand: Data Poisoning Attacks to Locally Private Graph Learning Protocols
Graph neural networks (GNNs) have achieved significant success in graph representation learning and have been applied to various domains. However, many real-world graphs contain sensitive personal information, such as user profiles in social networks, raising serious privacy concerns when graph learning is performed using GNNs. To address this issue, locally private graph learning protocols have gained considerable attention. These protocols leverage the privacy advantages of local differential privacy (LDP) and the effectiveness of GNN's message-passing in calibrating noisy data, offering strict privacy guarantees for users' local data while maintaining high utility (e.g., node classification accuracy) for graph learning. Despite these advantages, such protocols may be vulnerable to data poisoning attacks, a threat that has not been considered in previous research. Identifying and addressing these threats is crucial for ensuring the robustness and security of privacy-preserving graph learning frameworks. This work introduces the first data poisoning attack targeting locally private graph learning protocols. The attacker injects fake users into the protocol, manipulates these fake users to establish links with genuine users, and sends carefully crafted data to the server, ultimately compromising the utility of private graph learning. The effectiveness of the attack is demonstrated both theoretically and empirically. In addition, several defense strategies have also been explored, but their limited effectiveness highlights the need for more robust defenses.
♻ ☆ Energy Matching: Unifying Flow Matching and Energy-Based Models for Generative Modeling
The most widely used generative models map noise and data distributions by matching flows or scores. However, they struggle to incorporate partial observations and additional priors--something energy-based models (EBMs) handle elegantly by simply adding corresponding scalar energy terms. We address this issue by proposing Energy Matching, a framework that endows flow-based approaches with the flexibility of EBMs. Far from the data manifold, samples move along curl-free, optimal transport paths from noise to data. As they approach the data manifold, an entropic energy term guides the system into a Boltzmann equilibrium distribution, explicitly capturing the underlying likelihood structure of the data. We parameterize this dynamic with a single time-independent scalar field, which serves as both a powerful generator and a flexible prior for effective regularization of inverse problems. Our method substantially outperforms existing EBMs on CIFAR-10 and ImageNet generation in terms of fidelity, while retaining simulation-free training of transport-based approaches away from the data manifold. Furthermore, we leverage the method's flexibility to introduce an interaction energy that supports diverse mode exploration, which we demonstrate in a controlled protein-generation setting. Our approach focuses on learning a scalar potential energy--without time-conditioning, auxiliary generators, or additional networks--which marks a significant departure from recent EBM methods. We believe that this simplified framework significantly advances EBMs capabilities and paves the way for their wider adoption in generative modeling across diverse domains.
♻ ☆ Lagrangian Index Policy for Restless Bandits with Average Reward
We study the Lagrange Index Policy (LIP) for restless multi-armed bandits with long-run average reward. In particular, we compare the performance of LIP with the performance of the Whittle Index Policy (WIP), both heuristic policies known to be asymptotically optimal under certain natural conditions. Even though in most cases their performances are very similar, in the cases when WIP shows bad performance, LIP continues to perform very well. We then propose reinforcement learning algorithms, both tabular and NN-based, to obtain online learning schemes for LIP in the model-free setting. The proposed reinforcement learning schemes for LIP require significantly less memory than the analogous schemes for WIP. We calculate analytically the Lagrange index for the restart model, which applies to the optimal web crawling and the minimization of the weighted age of information. We also give a new proof of asymptotic optimality in case of homogeneous arms as the number of arms goes to infinity, based on exchangeability and de Finetti's theorem.
♻ ☆ A GREAT Architecture for Edge-Based Graph Problems Like TSP
In the last years, many learning-based approaches have been proposed to tackle combinatorial optimization problems such as routing problems. Many of these approaches are based on graph neural networks (GNNs) or related transformers, operating on the Euclidean coordinates representing the routing problems. However, models operating on Euclidean coordinates are ill-suited for non-Euclidean, asymmetric problem instances that are often found in real-world settings. To overcome this limitation, we propose a novel GNN-based and edge-focused neural model called Graph Edge Attention Network (GREAT). Using GREAT as an encoder to capture the properties of a routing problem instance, we build a reinforcement learning framework which we apply to Euclidean and non-Euclidean variants of vehicle routing problems such as Traveling Salesman Problem, Capacitated Vehicle Routing Problem and Orienteering Problem. Our framework is among the first to tackle non-Euclidean variants of these problems and achieves competitive results among learning-based solvers.
comment: 15 pages, 7 figures
♻ ☆ These Are Not All the Features You Are Looking For: A Fundamental Bottleneck in Supervised Pretraining
Transfer learning is a cornerstone of modern machine learning, promising a way to adapt models pretrained on a broad mix of data to new tasks with minimal new data. However, a significant challenge remains in ensuring that transferred features are sufficient to handle unseen datasets, amplified by the difficulty of quantifying whether two tasks are "related". To address these challenges, we evaluate model transfer from a pretraining mixture to each of its component tasks, assessing whether pretrained features can match the performance of task-specific direct training. We identify a fundamental limitation in deep learning models -- an "information saturation bottleneck" -- where networks fail to learn new features once they encode similar competing features during training. When restricted to learning only a subset of key features during pretraining, models will permanently lose critical features for transfer and perform inconsistently on data distributions, even components of the training mixture. Empirical evidence from published studies suggests that this phenomenon is pervasive in deep learning architectures -- factors such as data distribution or ordering affect the features that current representation learning methods can learn over time. This study suggests that relying solely on large-scale networks may not be as effective as focusing on task-specific training, when available. We propose richer feature representations as a potential solution to better generalize across new datasets and, specifically, present existing methods alongside a novel approach, the initial steps towards addressing this challenge.
comment: 10 pages, 7 figures, Preprint. Under review
♻ ☆ Simulating Hard Attention Using Soft Attention
We study conditions under which transformers using soft attention can simulate hard attention, that is, effectively focus all attention on a subset of positions. First, we examine several subclasses of languages recognized by hard-attention transformers, which can be defined in variants of linear temporal logic. We demonstrate how soft-attention transformers can compute formulas of these logics using unbounded positional embeddings or temperature scaling. Second, we demonstrate how temperature scaling allows softmax transformers to simulate general hard-attention transformers, using a temperature that depends on the minimum gap between the maximum attention scores and other attention scores.
comment: 19 pages
Wavelet Diffusion Neural Operator
Simulating and controlling physical systems described by partial differential equations (PDEs) are crucial tasks across science and engineering. Recently, diffusion generative models have emerged as a competitive class of methods for these tasks due to their ability to capture long-term dependencies and model high-dimensional states. However, diffusion models typically struggle with handling system states with abrupt changes and generalizing to higher resolutions. In this work, we propose Wavelet Diffusion Neural Operator (WDNO), a novel PDE simulation and control framework that enhances the handling of these complexities. WDNO comprises two key innovations. Firstly, WDNO performs diffusion-based generative modeling in the wavelet domain for the entire trajectory to handle abrupt changes and long-term dependencies effectively. Secondly, to address the issue of poor generalization across different resolutions, which is one of the fundamental tasks in modeling physical systems, we introduce multi-resolution training. We validate WDNO on five physical systems, including 1D advection equation, three challenging physical systems with abrupt changes (1D Burgers' equation, 1D compressible Navier-Stokes equation and 2D incompressible fluid), and a real-world dataset ERA5, which demonstrates superior performance on both simulation and control tasks over state-of-the-art methods, with significant improvements in long-term and detail prediction accuracy. Remarkably, in the challenging context of the 2D high-dimensional and indirect control task aimed at reducing smoke leakage, WDNO reduces the leakage by 78% compared to the second-best baseline. The code can be found at https://github.com/AI4Science-WestlakeU/wdno.git.
♻ ☆ Radio Map Estimation via Latent Domain Plug-and-Play Denoising
Radio map estimation (RME), also known as spectrum cartography, aims to reconstruct the strength of radio interference across different domains (e.g., space and frequency) from sparsely sampled measurements. To tackle this typical inverse problem, state-of-the-art RME methods rely on handcrafted or data-driven structural information of radio maps. However, the former often struggles to model complex radio frequency (RF) environments and the latter requires excessive training -- making it hard to quickly adapt to in situ sensing tasks. This work presents a spatio-spectral RME approach based on plug-and-play (PnP) denoising, a technique from computational imaging. The idea is to leverage the observation that the denoising operations of signals like natural images and radio maps are similar -- despite the nontrivial differences of the signals themselves. Hence, sophisticated denoisers designed for or learned from natural images can be directly employed to assist RME, avoiding using radio map data for training. Unlike conventional PnP methods that operate directly in the data domain, the proposed method exploits the underlying physical structure of radio maps and proposes an ADMM algorithm that denoises in a latent domain. This design significantly improves computational efficiency and enhances noise robustness. Theoretical aspects, e.g., recoverability of the complete radio map and convergence of the ADMM algorithm are analyzed. Synthetic and real data experiments are conducted to demonstrate the effectiveness of our approach.
♻ ☆ Capturing Style in Author and Document Representation
A wide range of Deep Natural Language Processing (NLP) models integrates continuous and low dimensional representations of words and documents. Surprisingly, very few models study representation learning for authors. These representations can be used for many NLP tasks, such as author identification and classification, or in recommendation systems. A strong limitation of existing works is that they do not explicitly capture writing style, making them hardly applicable to literary data. We therefore propose a new architecture based on Variational Information Bottleneck (VIB) that learns embeddings for both authors and documents with a stylistic constraint. Our model fine-tunes a pre-trained document encoder. We stimulate the detection of writing style by adding predefined stylistic features making the representation axis interpretable with respect to writing style indicators. We evaluate our method on three datasets: a literary corpus extracted from the Gutenberg Project, the Blog Authorship Corpus and IMDb62, for which we show that it matches or outperforms strong/recent baselines in authorship attribution while capturing much more accurately the authors stylistic aspects.
♻ ☆ Rapid Gyroscope Calibration: A Deep Learning Approach
Low-cost gyroscope calibration is essential for ensuring the accuracy and reliability of gyroscope measurements. Stationary calibration estimates the deterministic parts of measurement errors. To this end, a common practice is to average the gyroscope readings during a predefined period and estimate the gyroscope bias. Calibration duration plays a crucial role in performance, therefore, longer periods are preferred. However, some applications require quick startup times and calibration is therefore allowed only for a short time. In this work, we focus on reducing low-cost gyroscope calibration time using deep learning methods. We propose an end-to-end convolutional neural network for the application of gyroscope calibration. We explore the possibilities of using multiple real and virtual gyroscopes to improve the calibration performance of single gyroscopes. To train and validate our approach, we recorded a dataset consisting of 186.6 hours of gyroscope readings, using 36 gyroscopes of four different brands. We also created a virtual dataset consisting of simulated gyroscope readings. The six datasets were used to evaluate our proposed approach. One of our key achievements in this work is reducing gyroscope calibration time by up to 89% using three low-cost gyroscopes. Our dataset is publicly available to allow reproducibility of our work and to increase research in the field.
comment: 10 Pages, 14 Figures
♻ ☆ Balancing Privacy, Robustness, and Efficiency in Machine Learning
This position paper argues that achieving robustness, privacy, and efficiency simultaneously in machine learning systems is infeasible under prevailing threat models. The tension between these goals arises not from algorithmic shortcomings but from structural limitations imposed by worst-case adversarial assumptions. We advocate for a systematic research agenda aimed at formalizing the robustness-privacy-efficiency trilemma, exploring how principled relaxations of threat models can unlock better trade-offs, and designing benchmarks that expose rather than obscure the compromises made. By shifting focus from aspirational universal guarantees to context-aware system design, the machine learning community can build models that are truly appropriate for real-world deployment.
♻ ☆ Unsupervised Learning for Optimal Transport plan prediction between unbalanced graphs
Optimal transport between graphs, based on Gromov-Wasserstein and other extensions, is a powerful tool for comparing and aligning graph structures. However, solving the associated non-convex optimization problems is computationally expensive, which limits the scalability of these methods to large graphs. In this work, we present Unbalanced Learning of Optimal Transport (ULOT), a deep learning method that predicts optimal transport plans between two graphs. Our method is trained by minimizing the fused unbalanced Gromov-Wasserstein (FUGW) loss. We propose a novel neural architecture with cross-attention that is conditioned on the FUGW tradeoff hyperparameters. We evaluate ULOT on synthetic stochastic block model (SBM) graphs and on real cortical surface data obtained from fMRI. ULOT predicts transport plans with competitive loss up to two orders of magnitude faster than classical solvers. Furthermore, the predicted plan can be used as a warm start for classical solvers to accelerate their convergence. Finally, the predicted transport plan is fully differentiable with respect to the graph inputs and FUGW hyperparameters, enabling the optimization of functionals of the ULOT plan.
♻ ☆ LLM-Based Human-Agent Collaboration and Interaction Systems: A Survey
Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. These human-agent collaboration systems enable humans and LLM-based agents to collaborate effectively by leveraging their complementary strengths. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities arising from human-AI collaboration. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-Human-Agent-Collaboration-Interaction-Systems.
comment: Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-Human-Agent-Collaboration-Interaction-Systems
♻ ☆ Seal Your Backdoor with Variational Defense ICCV 2025
We propose VIBE, a model-agnostic framework that trains classifiers resilient to backdoor attacks. The key concept behind our approach is to treat malicious inputs and corrupted labels from the training dataset as observed random variables, while the actual clean labels are latent. VIBE then recovers the corresponding latent clean label posterior through variational inference. The resulting training procedure follows the expectation-maximization (EM) algorithm. The E-step infers the clean pseudolabels by solving an entropy-regularized optimal transport problem, while the M-step updates the classifier parameters via gradient descent. Being modular, VIBE can seamlessly integrate with recent advancements in self-supervised representation learning, which enhance its ability to resist backdoor attacks. We experimentally validate the method effectiveness against contemporary backdoor attacks on standard datasets, a large-scale setup with 1$k$ classes, and a dataset poisoned with multiple attacks. VIBE consistently outperforms previous defenses across all tested scenarios.
comment: Accepted to ICCV 2025
♻ ☆ PCF-Grasp: Converting Point Completion to Geometry Feature to Enhance 6-DoF Grasp
The 6-Degree of Freedom (DoF) grasp method based on point clouds has shown significant potential in enabling robots to grasp target objects. However, most existing methods are based on the point clouds (2.5D points) generated from single-view depth images. These point clouds only have one surface side of the object providing incomplete geometry information, which mislead the grasping algorithm to judge the shape of the target object, resulting in low grasping accuracy. Humans can accurately grasp objects from a single view by leveraging their geometry experience to estimate object shapes. Inspired by humans, we propose a novel 6-DoF grasping framework that converts the point completion results as object shape features to train the 6-DoF grasp network. Here, point completion can generate approximate complete points from the 2.5D points similar to the human geometry experience, and converting it as shape features is the way to utilize it to improve grasp efficiency. Furthermore, due to the gap between the network generation and actual execution, we integrate a score filter into our framework to select more executable grasp proposals for the real robot. This enables our method to maintain a high grasp quality in any camera viewpoint. Extensive experiments demonstrate that utilizing complete point features enables the generation of significantly more accurate grasp proposals and the inclusion of a score filter greatly enhances the credibility of real-world robot grasping. Our method achieves a 17.8\% success rate higher than the state-of-the-art method in real-world experiments.
♻ ☆ Variational Supervised Contrastive Learning
Contrastive learning has proven to be highly efficient and adaptable in shaping representation spaces across diverse modalities by pulling similar samples together and pushing dissimilar ones apart. However, two key limitations persist: (1) Without explicit regulation of the embedding distribution, semantically related instances can inadvertently be pushed apart unless complementary signals guide pair selection, and (2) excessive reliance on large in-batch negatives and tailored augmentations hinders generalization. To address these limitations, we propose Variational Supervised Contrastive Learning (VarCon), which reformulates supervised contrastive learning as variational inference over latent class variables and maximizes a posterior-weighted evidence lower bound (ELBO) that replaces exhaustive pair-wise comparisons for efficient class-aware matching and grants fine-grained control over intra-class dispersion in the embedding space. Trained exclusively on image data, our experiments on CIFAR-10, CIFAR-100, ImageNet-100, and ImageNet-1K show that VarCon (1) achieves state-of-the-art performance for contrastive learning frameworks, reaching 79.36% Top-1 accuracy on ImageNet-1K and 78.29% on CIFAR-100 with a ResNet-50 encoder while converging in just 200 epochs; (2) yields substantially clearer decision boundaries and semantic organization in the embedding space, as evidenced by KNN classification, hierarchical clustering results, and transfer-learning assessments; and (3) demonstrates superior performance in few-shot learning than supervised baseline and superior robustness across various augmentation strategies.
♻ ☆ Moderating the Generalization of Score-based Generative Model
Score-based Generative Models (SGMs) have demonstrated remarkable generalization abilities, e.g. generating unseen, but natural data. However, the greater the generalization power, the more likely the unintended generalization, and the more dangerous the abuse. Research on moderated generalization in SGMs remains limited. To fill this gap, we first examine the current 'gold standard' in Machine Unlearning (MU), i.e., re-training the model after removing the undesirable training data, and find it does not work in SGMs. Further analysis of score functions reveals that the MU 'gold standard' does not alter the original score function, which explains its ineffectiveness. Based on this insight, we propose the first Moderated Score-based Generative Model (MSGM), which introduces a novel score adjustment strategy that redirects the score function away from undesirable data during the continuous-time stochastic differential equation process. Extensive experimental results demonstrate that MSGM significantly reduces the likelihood of generating undesirable content while preserving high visual quality for normal image generation. Albeit designed for SGMs, MSGM is a general and flexible MU framework that is compatible with diverse diffusion architectures (SGM and DDPM) and training strategies (re-training and fine-tuning), and enables zero-shot transfer of the pre-trained models to downstream tasks, e.g. image inpainting and reconstruction. The code will be shared upon acceptance.
♻ ☆ Metis-RISE: RL Incentivizes and SFT Enhances Multimodal Reasoning Model Learning
Recent advancements in large language models (LLMs) have witnessed a surge in the development of advanced reasoning paradigms, which are now being integrated into multimodal large language models (MLLMs). However, existing approaches often fall short: methods solely employing reinforcement learning (RL) can struggle with sample inefficiency and activating entirely absent reasoning capabilities, while conventional pipelines that initiate with a cold-start supervised fine-tuning (SFT) phase before RL may restrict the model's exploratory capacity and face suboptimal convergence. In this work, we introduce \textbf{Metis-RISE} (\textbf{R}L \textbf{I}ncentivizes and \textbf{S}FT \textbf{E}nhances) for multimodal reasoning model learning. Unlike conventional approaches, Metis-RISE distinctively omits an initial SFT stage, beginning instead with an RL phase (e.g., using a Group Relative Policy Optimization variant) to incentivize and activate the model's latent reasoning capacity. Subsequently, the targeted SFT stage addresses two key challenges identified during RL: (1) \textit{inefficient trajectory sampling} for tasks where the model possesses but inconsistently applies correct reasoning, which we tackle using self-distilled reasoning trajectories from the RL model itself; and (2) \textit{fundamental capability absence}, which we address by injecting expert-augmented knowledge for prompts where the model entirely fails. This strategic application of RL for incentivization followed by SFT for enhancement forms the core of Metis-RISE, leading to two versions of our MLLMs (7B and 72B parameters). Evaluations on the OpenCompass Multimodal Reasoning Leaderboard demonstrate that both models achieve state-of-the-art performance among similar-sized models, with the 72B version ranking fourth overall. Please refer to our project page for open-source information.
comment: Project Page: https://github.com/MM-Thinking/Metis-RISE
♻ ☆ Self-Regulated Neurogenesis for Online Data-Incremental Learning
Neural networks often struggle with catastrophic forgetting when learning sequences of tasks or data streams, unlike humans who can continuously learn and consolidate new concepts even in the absence of explicit cues. Online data-incremental learning seeks to emulate this capability by processing each sample only once, without having access to task or stream cues at any point in time since this is more realistic compared to offline setups, where all data from novel class(es) is assumed to be readily available. However, existing methods typically rely on storing the subsets of data in memory or expanding the initial model architecture, resulting in significant computational overhead. Drawing inspiration from 'self-regulated neurogenesis'-brain's mechanism for creating specialized regions or circuits for distinct functions-we propose a novel approach SERENA which encodes each concept in a specialized network path called 'concept cell', integrated into a single over-parameterized network. Once a concept is learned, its corresponding concept cell is frozen, effectively preventing the forgetting of previously acquired information. Furthermore, we introduce two new continual learning scenarios that more closely reflect real-world conditions, characterized by gradually changing sample sizes. Experimental results show that our method not only establishes new state-of-the-art results across ten benchmarks but also remarkably surpasses offline supervised batch learning performance. The code is available at https://github.com/muratonuryildirim/serena.
comment: Published at Conference on Lifelong Learning Agents (CoLLAs) 2025
♻ ☆ A Novel Federated Learning-Based IDS for Enhancing UAVs Privacy and Security
Unmanned aerial vehicles (UAVs) operating within Flying Ad-hoc Networks (FANETs) encounter security challenges due to the dynamic and distributed nature of these networks. Previous studies focused predominantly on centralized intrusion detection, assuming a central entity responsible for storing and analyzing data from all devices. However, these approaches face challenges including computation and storage costs, along with a single point of failure risk, threatening data privacy and availability. The widespread dispersion of data across interconnected devices underscores the need for decentralized approaches. This paper introduces the Federated Learning-based Intrusion Detection System (FL-IDS), addressing challenges encountered by centralized systems in FANETs. FL-IDS reduces computation and storage costs for both clients and the central server, which is crucial for resource-constrained UAVs. Operating in a decentralized manner, FL-IDS enables UAVs to collaboratively train a global intrusion detection model without sharing raw data, thus avoiding delay in decisions based on collected data, as is often the case with traditional methods. Experimental results demonstrate FL-IDS's competitive performance with Central IDS (C-IDS) while mitigating privacy concerns, with the Bias Towards Specific Clients (BTSC) method further enhancing FL-IDS performance even at lower attacker ratios. Comparative analysis with traditional intrusion detection methods, including Local IDS (L-IDS), sheds light on the strengths of FL-IDS. This study significantly contributes to UAV security by introducing a privacy-aware, decentralized intrusion detection approach tailored to UAV networks. Moreover, by introducing a realistic dataset for FANETs and federated learning, our approach differs from others lacking high dynamism and 3D node movements or accurate federated data federations.
comment: Published in Internet of Things, Volume 25, 2025, Article 101592
♻ ☆ Multi-convex Programming for Discrete Latent Factor Models Prototyping
Discrete latent factor models (DLFMs) are widely used in various domains such as machine learning, economics, neuroscience, psychology, etc. Currently, fitting a DLFM to some dataset relies on a customized solver for individual models, which requires lots of effort to implement and is limited to the targeted specific instance of DLFMs. In this paper, we propose a generic framework based on CVXPY, which allows users to specify and solve the fitting problem of a wide range of DLFMs, including both regression and classification models, within a very short script. Our framework is flexible and inherently supports the integration of regularization terms and constraints on the DLFM parameters and latent factors, such that the users can easily prototype the DLFM structure according to their dataset and application scenario. We introduce our open-source Python implementation and illustrate the framework in several examples.
♻ ☆ Solving Inverse Problem for Multi-armed Bandits via Convex Optimization
We consider the inverse problem of multi-armed bandits (IMAB) that are widely used in neuroscience and psychology research for behavior modelling. We first show that the IMAB problem is not convex in general, but can be relaxed to a convex problem via variable transformation. Based on this result, we propose a two-step sequential heuristic for (approximately) solving the IMAB problem. We discuss a condition where our method provides global solution to the IMAB problem with certificate, as well as approximations to further save computing time. Numerical experiments indicate that our heuristic method is more robust than directly solving the IMAB problem via repeated local optimization, and can achieve the performance of Monte Carlo methods within a significantly decreased running time. We provide the implementation of our method based on CVXPY, which allows straightforward application by users not well versed in convex optimization.
♻ ☆ Inverse Reinforcement Learning via Convex Optimization
We consider the inverse reinforcement learning (IRL) problem, where an unknown reward function of some Markov decision process is estimated based on observed expert demonstrations. In most existing approaches, IRL is formulated and solved as a nonconvex optimization problem, posing challenges in scenarios where robustness and reproducibility are critical. We discuss a convex formulation of the IRL problem (CIRL) initially proposed by Ng and Russel, and reformulate the problem such that the domain-specific language CVXPY can be applied directly to specify and solve the convex problem. We also extend the CIRL problem to scenarios where the expert policy is not given analytically but by trajectory as state-action pairs, which can be strongly inconsistent with optimality, by augmenting some of the constraints. Theoretical analysis and practical implementation for hyperparameter auto-selection are introduced. This note helps the users to easily apply CIRL for their problems, without background knowledge on convex optimization.
♻ ☆ SDE Matching: Scalable and Simulation-Free Training of Latent Stochastic Differential Equations
The Latent Stochastic Differential Equation (SDE) is a powerful tool for time series and sequence modeling. However, training Latent SDEs typically relies on adjoint sensitivity methods, which depend on simulation and backpropagation through approximate SDE solutions, which limit scalability. In this work, we propose SDE Matching, a new simulation-free method for training Latent SDEs. Inspired by modern Score- and Flow Matching algorithms for learning generative dynamics, we extend these ideas to the domain of stochastic dynamics for time series and sequence modeling, eliminating the need for costly numerical simulations. Our results demonstrate that SDE Matching achieves performance comparable to adjoint sensitivity methods while drastically reducing computational complexity.
♻ ☆ Sharp concentration of uniform generalization errors in binary linear classification
We examine the concentration of uniform generalization errors around their expectation in binary linear classification problems via an isoperimetric argument. In particular, we establish Poincar\'{e} and log-Sobolev inequalities for the joint distribution of the output labels and the label-weighted input vectors, which we apply to derive concentration bounds. The derived concentration bounds are sharp up to moderate multiplicative constants by those under well-balanced labels. In asymptotic analysis, we also show that almost sure convergence of uniform generalization errors to their expectation occurs in very broad settings, such as proportionally high-dimensional regimes. Using this convergence, we establish uniform laws of large numbers under dimension-free conditions.
comment: 26 pages, 1 figure; minor edits to improve readability
♻ ☆ SceneGenAgent: Precise Industrial Scene Generation with Coding Agent ACL 2025
The modeling of industrial scenes is essential for simulations in industrial manufacturing. While large language models (LLMs) have shown significant progress in generating general 3D scenes from textual descriptions, generating industrial scenes with LLMs poses a unique challenge due to their demand for precise measurements and positioning, requiring complex planning over spatial arrangement. To address this challenge, we introduce SceneGenAgent, an LLM-based agent for generating industrial scenes through C# code. SceneGenAgent ensures precise layout planning through a structured and calculable format, layout verification, and iterative refinement to meet the quantitative requirements of industrial scenarios. Experiment results demonstrate that LLMs powered by SceneGenAgent exceed their original performance, reaching up to 81.0% success rate in real-world industrial scene generation tasks and effectively meeting most scene generation requirements. To further enhance accessibility, we construct SceneInstruct, a dataset designed for fine-tuning open-source LLMs to integrate into SceneGenAgent. Experiments show that fine-tuning open-source LLMs on SceneInstruct yields significant performance improvements, with Llama3.1-70B approaching the capabilities of GPT-4o. Our code and data are available at https://github.com/THUDM/SceneGenAgent .
comment: Accepted to ACL 2025
♻ ☆ PCDVQ: Enhancing Vector Quantization for Large Language Models via Polar Coordinate Decoupling
Large Language Models (LLMs) face significant challenges in edge deployment due to their massive parameter scale. Vector Quantization (VQ), a clustering-based quantization method, serves as a prevalent solution to this issue for its extremely low-bit (even at 2-bit) and considerable accuracy. Since a vector is a quantity in mathematics and physics that has both direction and magnitude, existing VQ works typically quantize them in a coupled manner. However, we find that direction exhibits significantly greater sensitivity to quantization compared to the magnitude. For instance, when separately clustering the directions and magnitudes of weight vectors in LLaMA-2-7B, the accuracy drop of zero-shot tasks are 46.5\% and 2.3\%, respectively. This gap even increases with the reduction of clustering centers. Further, Euclidean distance, a common metric to access vector similarities in current VQ works, places greater emphasis on reducing the magnitude error. This property is contrary to the above finding, unavoidably leading to larger quantization errors. To these ends, this paper proposes Polar Coordinate Decoupled Vector Quantization (PCDVQ), an effective and efficient VQ framework consisting of two key modules: 1) Polar Coordinate Decoupling (PCD), which transforms vectors into their polar coordinate representations and perform independent quantization of the direction and magnitude parameters.2) Distribution Aligned Codebook Construction (DACC), which optimizes the direction and magnitude codebooks in accordance with the source distribution. Experimental results show that PCDVQ outperforms baseline methods at 2-bit level by at least 1.5\% zero-shot accuracy, establishing a novel paradigm for accurate and highly compressed LLMs.
♻ ☆ Mixture of Experts-augmented Deep Unfolding for Activity Detection in IRS-aided Systems
In the realm of activity detection for massive machine-type communications, intelligent reflecting surfaces (IRS) have shown significant potential in enhancing coverage for devices lacking direct connections to the base station (BS). However, traditional activity detection methods are typically designed for a single type of channel model, which does not reflect the complexities of real-world scenarios, particularly in systems incorporating IRS. To address this challenge, this paper introduces a novel approach that combines model-driven deep unfolding with a mixture of experts (MoE) framework. By automatically selecting one of three expert designs and applying it to the unfolded projected gradient method, our approach eliminates the need for prior knowledge of channel types between devices and the BS. Simulation results demonstrate that the proposed MoE-augmented deep unfolding method surpasses the traditional covariance-based method and black-box neural network design, delivering superior detection performance under mixed channel fading conditions.
comment: 5 pages, 5 figures, Accepted in IEEE Wireless Communications Letters
♻ ☆ Efficient Image Generation with Variadic Attention Heads CVPR
While the integration of transformers in vision models have yielded significant improvements on vision tasks they still require significant amounts of computation for both training and inference. Restricted attention mechanisms significantly reduce these computational burdens but come at the cost of losing either global or local coherence. We propose a simple, yet powerful method to reduce these trade-offs: allow the attention heads of a single transformer to attend to multiple receptive fields. We demonstrate our method utilizing Neighborhood Attention (NA) and integrate it into a StyleGAN based architecture for image generation. With this work, dubbed StyleNAT, we are able to achieve a FID of 2.05 on FFHQ, a 6% improvement over StyleGAN-XL, while utilizing 28% fewer parameters and with 4$\times$ the throughput capacity. StyleNAT achieves the Pareto Frontier on FFHQ-256 and demonstrates powerful and efficient image generation on other datasets. Our code and model checkpoints are publicly available at: https://github.com/SHI-Labs/StyleNAT
comment: Published in eLVM @ CVPR (https://openaccess.thecvf.com/content/CVPR2025W/eLVM/html/Walton_Efficient_Image_Generation_with_Variadic_Attention_Heads_CVPRW_2025_paper) | Formerly named StyleNAT: Giving Each Head a New Perspective |
♻ ☆ Proximal Point Method for Online Saddle Point Problem
This paper focuses on the online saddle point problem, which involves a sequence of two-player time-varying convex-concave games. Considering the nonstationarity of the environment, we adopt the duality gap and the dynamic Nash equilibrium regret as performance metrics for algorithm design. We present three variants of the proximal point method: the Online Proximal Point Method (OPPM), the Optimistic OPPM (OptOPPM), and the OptOPPM with multiple predictors. Each algorithm guarantees upper bounds for both the duality gap and dynamic Nash equilibrium regret, achieving near-optimality when measured against the duality gap. Specifically, in certain benign environments, such as sequences of stationary payoff functions, these algorithms maintain a nearly constant metric bound. Experimental results further validate the effectiveness of these algorithms. Lastly, this paper discusses potential reliability concerns associated with using dynamic Nash equilibrium regret as a performance metric. The technical appendix and code can be found at https://github.com/qingxin6174/PPM-for-OSP.
♻ ☆ Review learning: Real world validation of privacy preserving continual learning across medical institutions
When a deep learning model is trained sequentially on different datasets, it often forgets the knowledge learned from previous data, a problem known as catastrophic forgetting. This damages the model's performance on diverse datasets, which is critical in privacy-preserving deep learning (PPDL) applications based on transfer learning (TL). To overcome this, we introduce "review learning" (RevL), a low cost continual learning algorithm for diagnosis prediction using electronic health records (EHR) within a PPDL framework. RevL generates data samples from the model which are used to review knowledge from previous datasets. Six simulated institutional experiments and one real-world experiment involving three medical institutions were conducted to validate RevL, using three binary classification EHR data. In the real-world experiment with data from 106,508 patients, the mean global area under the receiver operating curve was 0.710 for RevL and 0.655 for TL. These results demonstrate RevL's ability to retain previously learned knowledge and its effectiveness in real-world PPDL scenarios. Our work establishes a realistic pipeline for PPDL research based on model transfers across institutions and highlights the practicality of continual learning in real-world medical settings using private EHR data.
♻ ☆ Genetic Algorithm with Innovative Chromosome Patterns in the Breeding Process
This paper proposes Genetic Algorithm with Border Trades (GAB), a novel modification of the standard genetic algorithm that enhances exploration by incorporating new chromosome patterns in the breeding process. This approach significantly mitigates premature convergence and improves search diversity. Empirically, GAB achieves up to 8x higher fitness and 10x faster convergence on complex job scheduling problems compared to standard Genetic Algorithms, reaching average fitness scores of 888 versus 106 in under 20 seconds. On the classic Flip-Flop problem, GAB consistently finds optimal or near-optimal solutions in fewer generations, even as input sizes scale to thousands of bits. These results highlight GAB as a highly effective and computationally efficient alternative for solving large-scale combinatorial optimization problems.
♻ ☆ Pretrained Reversible Generation as Unsupervised Visual Representation Learning ICCV 2025
Recent generative models based on score matching and flow matching have significantly advanced generation tasks, but their potential in discriminative tasks remains underexplored. Previous approaches, such as generative classifiers, have not fully leveraged the capabilities of these models for discriminative tasks due to their intricate designs. We propose Pretrained Reversible Generation (PRG), which extracts unsupervised representations by reversing the generative process of a pretrained continuous generation model. PRG effectively reuses unsupervised generative models, leveraging their high capacity to serve as robust and generalizable feature extractors for downstream tasks. This framework enables the flexible selection of feature hierarchies tailored to specific downstream tasks. Our method consistently outperforms prior approaches across multiple benchmarks, achieving state-of-the-art performance among generative model based methods, including 78% top-1 accuracy on ImageNet at a resolution of 64*64. Extensive ablation studies, including out-of-distribution evaluations, further validate the effectiveness of our approach. Code is available at https://github.com/opendilab/PRG.
comment: Accepted by ICCV 2025
♻ ☆ Bridging the Gap Between Approximation and Learning via Optimal Approximation by ReLU MLPs of Maximal Regularity
The foundations of deep learning are supported by the seemingly opposing perspectives of approximation or learning theory. The former advocates for large/expressive models that need not generalize, while the latter considers classes that generalize but may be too small/constrained to be universal approximators. Motivated by real-world deep learning implementations that are both expressive and statistically reliable, we ask: "Is there a class of neural networks that is both large enough to be universal but structured enough to generalize?" This paper constructively provides a positive answer to this question by identifying a highly structured class of ReLU multilayer perceptions (MLPs), which are optimal function approximators and are statistically well-behaved. We show that any $(L,\alpha)$-H\"{o}lder function from $[0,1]^d$ to $[-n,n]$ can be approximated to a uniform $\mathcal{O}(1/n)$ error on $[0,1]^d$ with a sparsely connected ReLU MLP with the same H\"{o}lder exponent $\alpha$ and coefficient $L$, of width $\mathcal{O}(dn^{d/\alpha})$, depth $\mathcal{O}(\log(d))$, with $\mathcal{O}(dn^{d/\alpha})$ nonzero parameters, and whose weights and biases take values in $\{0,\pm 1/2\}$ except in the first and last layers which instead have magnitude at-most $n$. Further, our class of MLPs achieves a near-optimal sample complexity of $\mathcal{O}(\log(N)/\sqrt{N})$ when given $N$ i.i.d. normalized sub-Gaussian training samples. We achieve this through a new construction that perfectly fits together linear pieces using Kuhn triangulations, along with a new proof technique which shows that our construction preserves the regularity of not only the H\"{o}lder functions, but also any uniformly continuous function. Our results imply that neural networks can solve the McShane extension problem on suitable finite sets.
comment: 16 pages main body, 40 pages proofs, 10 figures, 1 table
♻ ☆ Split-Merge: A Difference-based Approach for Dominant Eigenvalue Problem
The computation of the dominant eigenvector of symmetric positive semidefinite matrices is a cornerstone operation in numerous optimization-driven applications. Traditional methods, typically based on the \textit{Quotient} formulation, often suffer from challenges related to computational efficiency and reliance on prior spectral knowledge. In this work, we leverage the alternative \textit{Difference} formulation to reinterpret the classical power method as a first-order optimization algorithm. This perspective allows for a novel convergence analysis and facilitates the development of accelerated variants with larger step-sizes, achieving faster convergence without additional computational cost. Building on this insight, we introduce a generalized family of Difference-based methods, with the power method as a special case. Within this family, we propose Split-Merge, an algorithm that attains accelerated convergence without requiring spectral knowledge and operates solely via matrix-vector products. Extensive experiments on both synthetic and real-world datasets demonstrate that Split-Merge consistently outperforms state-of-the-art methods in both efficiency and scalability. In particular, it achieves more than a $\boldsymbol{10\times}$ speedup over the classical power method, underscoring its practical effectiveness for large-scale problems.
♻ ☆ Generalized Tensor-based Parameter-Efficient Fine-Tuning via Lie Group Transformations ICCV
Adapting pre-trained foundation models for diverse downstream tasks is a core practice in artificial intelligence. However, the wide range of tasks and high computational costs make full fine-tuning impractical. To overcome this, parameter-efficient fine-tuning (PEFT) methods like LoRA have emerged and are becoming a growing research focus. Despite the success of these methods, they are primarily designed for linear layers, focusing on two-dimensional matrices while largely ignoring higher-dimensional parameter spaces like convolutional kernels. Moreover, directly applying these methods to higher-dimensional parameter spaces often disrupts their structural relationships. Given the rapid advancements in matrix-based PEFT methods, rather than designing a specialized strategy, we propose a generalization that extends matrix-based PEFT methods to higher-dimensional parameter spaces without compromising their structural properties. Specifically, we treat parameters as elements of a Lie group, with updates modeled as perturbations in the corresponding Lie algebra. These perturbations are mapped back to the Lie group through the exponential map, ensuring smooth, consistent updates that preserve the inherent structure of the parameter space. Extensive experiments on computer vision and natural language processing validate the effectiveness and versatility of our approach, demonstrating clear improvements over existing methods.
comment: 2025 ICCV
♻ ☆ Explainable quantum regression algorithm with encoded data structure
Hybrid variational quantum algorithms (VQAs) are promising for solving practical problems such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers. However, with typical random ansatz or quantum alternating operator ansatz, derived variational quantum algorithms become a black box that cannot be trusted for model interpretation, not to mention deploying as applications in informing critical decisions: the results of these variational parameters are just rotational angles for the quantum gates and have nothing to do with interpretable values that a model can provide directly. In this paper, we construct the first interpretable quantum regression algorithm, in which the quantum state exactly encodes the classical data table and the variational parameters correspond directly to the regression coefficients, which are real numbers by construction, providing a high degree of model interpretability and minimal cost to optimize due to the right expressiveness. We also take advantage of the encoded data structure to reduce the time complexity of computing the regression map. To shorten the circuit depth for nonlinear regression, our algorithm can be extended by building nonlinear features by classical preprocessing as the independent encoded column vectors. Even though the realization of compressed encoding in superconducting qubits has been achieved by the less noisy compressed encoding recently by the authors, we envision potential quantum utilities with multi-qubit gates implemented in neutral cold atoms and ions.
♻ ☆ Machine learning of microstructure--property relationships in materials leveraging microstructure representation from foundational vision transformers
Machine learning of microstructure--property relationships from data is an emerging approach in computational materials science. Most existing machine learning efforts focus on the development of task-specific models for each microstructure--property relationship. We propose utilizing pre-trained foundational vision transformers for the extraction of task-agnostic microstructure features and subsequent light-weight machine learning of a microstructure-dependent property. We demonstrate our approach with pre-trained state-of-the-art vision transformers (CLIP, DINOv2, SAM) in two case studies on machine-learning: (i) elastic modulus of two-phase microstructures based on simulations data; and (ii) Vicker's hardness of Ni-base and Co-base superalloys based on experimental data published in literature. Our results show the potential of foundational vision transformers for robust microstructure representation and efficient machine learning of microstructure--property relationships without the need for expensive task-specific training or fine-tuning of bespoke deep learning models.
Quantitative Methods 4
☆ Devising a solution to the problems of Cancer awareness in Telangana
According to the data, the percent of women who underwent screening for cervical cancer, breast and oral cancer in Telangana in the year 2020 was 3.3 percent, 0.3 percent and 2.3 percent respectively. Although early detection is the only way to reduce morbidity and mortality, people have very low awareness about cervical and breast cancer signs and symptoms and screening practices. We developed an ML classification model to predict if a person is susceptible to breast or cervical cancer based on demographic factors. We devised a system to provide suggestions for the nearest hospital or Cancer treatment centres based on the users location or address. In addition to this, we can integrate the health card to maintain medical records of all individuals and conduct awareness drives and campaigns. For ML classification models, we used decision tree classification and support vector classification algorithms for cervical cancer susceptibility and breast cancer susceptibility respectively. Thus, by devising this solution we come one step closer to our goal which is spreading cancer awareness, thereby, decreasing the cancer mortality and increasing cancer literacy among the people of Telangana.
♻ ☆ Quantitative assessment of biological dynamics with aggregate data
We develop and apply a learning framework for parameter estimation in initial value problems that are assessed only indirectly via aggregate data such as sample means and/or standard deviations. Our comprehensive framework follows Bayesian principles and consists of specialized Markov chain Monte Carlo computational schemes that rely on modified Hamiltonian Monte Carlo to align with constraints induced by summary statistics and a novel elliptical slice sampler adapted to the parameters of biological models. We benchmark our methods with synthetic data on microbial growth in batch culture and test them with real growth curve data from laboratory replication experiments on $\textit{Prochlorococcus}$ microbes. The results indicate that our learning framework can utilize experimental or historical data and lead to robust parameter estimation and data assimilation in ODE models that outperform least-squares fitting.
♻ ☆ Machine Learning Tool to Analyse Spectroscopic Changes in High-Dimensional Data
When nanoparticles (NPs) are introduced into a biological solution, layers of biomolecules form on their surface, creating a corona. Understanding how the structure of the protein evolves into the corona is essential for evaluating the safety and toxicity of nanotechnology. However, the influence of NP properties on protein conformation is not well understood. In this study, we propose a new method that addresses this issue by analyzing multi-component spectral data using Machine Learning (ML). We apply the method to fibrinogen, a crucial protein in human blood plasma, at physiological concentrations while interacting with hydrophobic carbon or hydrophilic silicon dioxide NPs, revealing striking differences in the temperature dependence of the protein structure between the two cases. Our unsupervised ML method a) does not suffer from the challenges associated with the curse of dimensionality, and b) simultaneously handles spectral data from various sources. The method offers a quantitative analysis of protein structural changes upon adsorption and enhances the understanding of the correlation between protein structure and NP interactions, which could support the development of nanomedical tools to treat various conditions.
comment: 30 pages, 9 figures, added references, revised synthesis protocol, results unchanged
♻ ☆ Structural causal influence (SCI) captures the forces of social inequality in models of disease dynamics
Mathematical modeling has played a central role in understanding how infectious disease transmission manifests in populations. These models have demonstrated the importance of key community-level factors in structuring epidemic risk, and are now routinely used in public health for decision support. One barrier to their broader utility is that the existing canon does not often accommodate social inequalities as distinct formal drivers of variability in transmission dynamics. Given decades of evidence supporting the organizational effects of inequalities in structuring society more generally, and infectious disease risk more specifically, addressing this modeling gap is of critical importance. In this study, we build on previous efforts to integrate social forces into computational epidemiology by introducing a metric, the structural causal influence (SCI). The SCI uses causal analysis to provide a measure of the relative vulnerability of sub-communities within a susceptible population, shaped by differences in characteristics such as access to therapy, exposure to disease, and other determinants driven by social forces. We develop our metric in a simple case and apply it to a context of public health importance: Hepatitis C virus in a population of persons who inject drugs. In addition, we demonstrate the flexibility of the SCI using an agent-based model of an infectious disease. Our use of the SCI reveals that, under specific parameters in a multi-community model, the "less vulnerable" community may achieve a basic reproduction number below one, ensuring disease extinction. However, even minimal transmission between communities can increase this number, leading to sustained epidemics within both communities.
comment: 8 figures, 8 tables
Cell Behavior 1
♻ ☆ Properties of Hagen-Poiseuille flow in channel networks
We derive the main properties of adaptive Hagen-Poiseuille flows in elastic microchannel networks similar to biological veins found in organisms. We demonstrate that adaptive Hagen-Poiseuille flows effectively simulate key features of \textit{Physarum polycephalum} networks, replicating physiological out-of-equilibrium phenomena such as peristalsis and shuttle streaming, which are associated with the mechanism of nutrient transport in \textit{Physarum}. A new topological steady state has been identified for asynchronous adaptation, supporting out-of-equilibrium laminar fluxes. Adaptive Hagen-Poiseuille flows exhibit saturation effects on the fluxes in contractile veins, as observed in both animal and artificial contractile veins. These results suggest that the non-equilibrium effects observed in \textit{Physarum} have a hydrodynamic origin
Computation and Language 89
☆ MMSearch-R1: Incentivizing LMMs to Search
Robust deployment of large multimodal models (LMMs) in real-world scenarios requires access to external knowledge sources, given the complexity and dynamic nature of real-world information. Existing approaches such as retrieval-augmented generation (RAG) and prompt engineered search agents rely on rigid pipelines, often leading to inefficient or excessive search behaviors. We present MMSearch-R1, the first end-to-end reinforcement learning framework that enables LMMs to perform on-demand, multi-turn search in real-world Internet environments. Our framework integrates both image and text search tools, allowing the model to reason about when and how to invoke them guided by an outcome-based reward with a search penalty. To support training, We collect a multimodal search VQA dataset through a semi-automated pipeline that covers diverse visual and textual knowledge needs and curate a search-balanced subset with both search-required and search-free samples, which proves essential for shaping efficient and on-demand search behavior. Extensive experiments on knowledge-intensive and info-seeking VQA tasks show that our model not only outperforms RAG-based baselines of the same model size, but also matches the performance of a larger RAG-based model while reducing search calls by over 30%. We further analyze key empirical findings to offer actionable insights for advancing research in multimodal search.
comment: Code: https://github.com/EvolvingLMMs-Lab/multimodal-search-r1
☆ Inside you are many wolves: Using cognitive models to interpret value trade-offs in LLMs
Navigating everyday social situations often requires juggling conflicting goals, such as conveying a harsh truth, maintaining trust, all while still being mindful of another person's feelings. These value trade-offs are an integral part of human decision-making and language use, however, current tools for interpreting such dynamic and multi-faceted notions of values in LLMs are limited. In cognitive science, so-called "cognitive models" provide formal accounts of these trade-offs in humans, by modeling the weighting of a speaker's competing utility functions in choosing an action or utterance. In this work, we use a leading cognitive model of polite speech to interpret the extent to which LLMs represent human-like trade-offs. We apply this lens to systematically evaluate value trade-offs in two encompassing model settings: degrees of reasoning "effort" in frontier black-box models, and RL post-training dynamics of open-source models. Our results highlight patterns of higher informational utility than social utility in reasoning models, and in open-source models shown to be stronger in mathematical reasoning. Our findings from LLMs' training dynamics suggest large shifts in utility values early on in training with persistent effects of the choice of base model and pretraining data, compared to feedback dataset or alignment method. We show that our method is responsive to diverse aspects of the rapidly evolving LLM landscape, with insights for forming hypotheses about other high-level behaviors, shaping training regimes for reasoning models, and better controlling trade-offs between values during model training.
comment: 11 pages, 3 figures
☆ The Decrypto Benchmark for Multi-Agent Reasoning and Theory of Mind
As Large Language Models (LLMs) gain agentic abilities, they will have to navigate complex multi-agent scenarios, interacting with human users and other agents in cooperative and competitive settings. This will require new reasoning skills, chief amongst them being theory of mind (ToM), or the ability to reason about the "mental" states of other agents. However, ToM and other multi-agent abilities in LLMs are poorly understood, since existing benchmarks suffer from narrow scope, data leakage, saturation, and lack of interactivity. We thus propose Decrypto, a game-based benchmark for multi-agent reasoning and ToM drawing inspiration from cognitive science, computational pragmatics and multi-agent reinforcement learning. It is designed to be as easy as possible in all other dimensions, eliminating confounding factors commonly found in other benchmarks. To our knowledge, it is also the first platform for designing interactive ToM experiments. We validate the benchmark design through comprehensive empirical evaluations of frontier LLMs, robustness studies, and human-AI cross-play experiments. We find that LLM game-playing abilities lag behind humans and simple word-embedding baselines. We then create variants of two classic cognitive science experiments within Decrypto to evaluate three key ToM abilities. Surprisingly, we find that state-of-the-art reasoning models are significantly worse at those tasks than their older counterparts. This demonstrates that Decrypto addresses a crucial gap in current reasoning and ToM evaluations, and paves the path towards better artificial agents.
comment: 41 pages, 19 figures
☆ Memento: Note-Taking for Your Future Self
Large language models (LLMs) excel at reasoning-only tasks, but struggle when reasoning must be tightly coupled with retrieval, as in multi-hop question answering. To overcome these limitations, we introduce a prompting strategy that first decomposes a complex question into smaller steps, then dynamically constructs a database of facts using LLMs, and finally pieces these facts together to solve the question. We show how this three-stage strategy, which we call Memento, can boost the performance of existing prompting strategies across diverse settings. On the 9-step PhantomWiki benchmark, Memento doubles the performance of chain-of-thought (CoT) when all information is provided in context. On the open-domain version of 2WikiMultiHopQA, CoT-RAG with Memento improves over vanilla CoT-RAG by more than 20 F1 percentage points and over the multi-hop RAG baseline, IRCoT, by more than 13 F1 percentage points. On the challenging MuSiQue dataset, Memento improves ReAct by more than 3 F1 percentage points, demonstrating its utility in agentic settings.
☆ DiffuCoder: Understanding and Improving Masked Diffusion Models for Code Generation
Diffusion large language models (dLLMs) are compelling alternatives to autoregressive (AR) models because their denoising models operate over the entire sequence. The global planning and iterative refinement features of dLLMs are particularly useful for code generation. However, current training and inference mechanisms for dLLMs in coding are still under-explored. To demystify the decoding behavior of dLLMs and unlock their potential for coding, we systematically investigate their denoising processes and reinforcement learning (RL) methods. We train a 7B dLLM, \textbf{DiffuCoder}, on 130B tokens of code. Using this model as a testbed, we analyze its decoding behavior, revealing how it differs from that of AR models: (1) dLLMs can decide how causal their generation should be without relying on semi-AR decoding, and (2) increasing the sampling temperature diversifies not only token choices but also their generation order. This diversity creates a rich search space for RL rollouts. For RL training, to reduce the variance of token log-likelihood estimates and maintain training efficiency, we propose \textbf{coupled-GRPO}, a novel sampling scheme that constructs complementary mask noise for completions used in training. In our experiments, coupled-GRPO significantly improves DiffuCoder's performance on code generation benchmarks (+4.4\% on EvalPlus) and reduces reliance on AR causal during decoding. Our work provides deeper insight into the machinery of dLLM generation and offers an effective, diffusion-native RL training framework. https://github.com/apple/ml-diffucoder.
comment: preprint
☆ PLoP: Precise LoRA Placement for Efficient Finetuning of Large Models
Low-Rank Adaptation (LoRA) is a widely used finetuning method for large models. Its small memory footprint allows practitioners to adapt large models to specific tasks at a fraction of the cost of full finetuning. Different modifications have been proposed to enhance its efficiency by, for example, setting the learning rate, the rank, and the initialization. Another improvement axis is adapter placement strategy: when using LoRA, practitioners usually pick module types to adapt with LoRA, such as Query and Key modules. Few works have studied the problem of adapter placement, with nonconclusive results: original LoRA paper suggested placing adapters in attention modules, while other works suggested placing them in the MLP modules. Through an intuitive theoretical analysis, we introduce PLoP (Precise LoRA Placement), a lightweight method that allows automatic identification of module types where LoRA adapters should be placed, given a pretrained model and a finetuning task. We demonstrate that PLoP consistently outperforms, and in the worst case competes, with commonly used placement strategies through comprehensive experiments on supervised finetuning and reinforcement learning for reasoning.
comment: TD,LR: A lightweight module type selection method for LoRA finetuning. PLoP gives precise placements for LoRA adapters for improved performance
☆ Model Editing as a Double-Edged Sword: Steering Agent Ethical Behavior Toward Beneficence or Harm
Agents based on Large Language Models (LLMs) have demonstrated strong capabilities across a wide range of tasks. However, deploying LLM-based agents in high-stakes domains comes with significant safety and ethical risks. Unethical behavior by these agents can directly result in serious real-world consequences, including physical harm and financial loss. To efficiently steer the ethical behavior of agents, we frame agent behavior steering as a model editing task, which we term Behavior Editing. Model editing is an emerging area of research that enables precise and efficient modifications to LLMs while preserving their overall capabilities. To systematically study and evaluate this approach, we introduce BehaviorBench, a multi-tier benchmark grounded in psychological moral theories. This benchmark supports both the evaluation and editing of agent behaviors across a variety of scenarios, with each tier introducing more complex and ambiguous scenarios. We first demonstrate that Behavior Editing can dynamically steer agents toward the target behavior within specific scenarios. Moreover, Behavior Editing enables not only scenario-specific local adjustments but also more extensive shifts in an agent's global moral alignment. We demonstrate that Behavior Editing can be used to promote ethical and benevolent behavior or, conversely, to induce harmful or malicious behavior. Through comprehensive evaluations on agents based on frontier LLMs, BehaviorBench shows the effectiveness of Behavior Editing across different models and scenarios. Our findings offer key insights into a new paradigm for steering agent behavior, highlighting both the promise and perils of Behavior Editing.
comment: Main paper: 9 pages; total: 18 pages (including appendix). Code, data, results, and additional resources are available at: https://model-editing.github.io
☆ When Life Gives You Samples: The Benefits of Scaling up Inference Compute for Multilingual LLMs
Recent advancements in large language models (LLMs) have shifted focus toward scaling inference-time compute, improving performance without retraining the model. A common approach is to sample multiple outputs in parallel, and select one of these as the final output. However, work to date has focused on English and a handful of domains such as math and code. In contrast, we are most interested in techniques that generalize across open-ended tasks, formally verifiable tasks, and across languages. In this work, we study how to robustly scale inference-time compute for open-ended generative tasks in a multilingual, multi-task setting. Our findings show that both sampling strategy based on temperature variation and selection strategy must be adapted to account for diverse domains and varied language settings. We evaluate existing selection methods, revealing that strategies effective in English often fail to generalize across languages. We propose novel sampling and selection strategies specifically adapted for multilingual and multi-task inference scenarios, and show they yield notable gains across languages and tasks. In particular, our combined sampling and selection methods lead to an average +6.8 jump in win-rates for our 8B models on m-ArenaHard-v2.0 prompts, against proprietary models such as Gemini. At larger scale, Command-A (111B model) equipped with our methods, shows +9.0 improvement in win-rates on the same benchmark with just five samples against single-sample decoding, a substantial increase at minimal cost. Our results underscore the need for language- and task-aware approaches to inference-time compute, aiming to democratize performance improvements in underrepresented languages.
☆ Asymmetric REINFORCE for off-Policy Reinforcement Learning: Balancing positive and negative rewards
Reinforcement learning (RL) is increasingly used to align large language models (LLMs). Off-policy methods offer greater implementation simplicity and data efficiency than on-policy techniques, but often result in suboptimal performance. In this work, we study the intermediate range of algorithms between off-policy RL and supervised fine-tuning by analyzing a simple off-policy REINFORCE algorithm, where the advantage is defined as $A=r-V$, with $r$ a reward and $V$ some tunable baseline. Intuitively, lowering $V$ emphasizes high-reward samples, while raising it penalizes low-reward ones more heavily. We first provide a theoretical analysis of this off-policy REINFORCE algorithm, showing that when the baseline $V$ lower-bounds the expected reward, the algorithm enjoys a policy improvement guarantee. Our analysis reveals that while on-policy updates can safely leverage both positive and negative signals, off-policy updates benefit from focusing more on positive rewards than on negative ones. We validate our findings experimentally in a controlled stochastic bandit setting and through fine-tuning state-of-the-art LLMs on reasoning tasks.
☆ OctoThinker: Mid-training Incentivizes Reinforcement Learning Scaling
Different base language model families, such as Llama and Qwen, exhibit divergent behaviors during post-training with reinforcement learning (RL), especially on reasoning-intensive tasks. What makes a base language model suitable for reinforcement learning? Gaining deeper insight into this question is essential for developing RL-scalable foundation models of the next generation. In this work, we investigate how mid-training strategies shape RL dynamics, focusing on two representative model families: Qwen and Llama. Our study reveals that (1) high-quality mathematical corpora, such as MegaMath-Web-Pro, significantly improve both base model and RL performance, while existing alternatives (e.g., FineMath-4plus) fail to do so; (2) further adding QA-style data, particularly long chain-of-thought (CoT) reasoning examples, enhances RL outcomes, and instruction data further unlocks this effect; (3) while long-CoT improves reasoning depth, it can also induce verbosity of model responses and unstability of RL training, underscoring the importance of data formatting; (4) scaling mid-training consistently leads to stronger downstream RL performance. Building on these insights, we introduce a two-stage mid-training strategy, Stable-then-Decay, in which base models are first trained on 200B tokens with a constant learning rate, followed by 20B tokens across three CoT-focused branches with learning rate decay. This yields OctoThinker, a family of models demonstrating strong RL compatibility and closing the performance gap with more RL-friendly model families, i.e., Qwen. We hope our work will help shape pre-training strategies for foundation models in the RL era. To support further research, we release our open-source models along with a curated math reasoning-intensive corpus of over 70 billion tokens (i.e., MegaMath-Web-Pro-Max).
comment: 26 pages; The first three authors contribute to this work equally
☆ ReCode: Updating Code API Knowledge with Reinforcement Learning
Large Language Models (LLMs) exhibit remarkable code generation capabilities but falter when adapting to frequent updates in external library APIs. This critical limitation, stemming from reliance on outdated API knowledge from their training data, even with access to current documentation, impedes reliable code generation in dynamic environments. To tackle this issue, we propose ReCode (rule-based Reinforcement learning for Code Update), a novel framework that mimics human programmer adaptation to API changes. Specifically, we construct a dataset of approximately 2,000 data entries to train the LLMs to perform version migration based on updated information. Then, we introduce a modified string similarity metric for code evaluation as the reward for reinforcement learning. Our experiments demonstrate that ReCode substantially boosts LLMs' code generation performance in dynamic API scenarios, especially on the unseen CodeUpdateArena task. Crucially, compared to supervised fine-tuning, ReCode has less impact on LLMs' general code generation abilities. We apply ReCode on various LLMs and reinforcement learning algorithms (GRPO and DAPO), all achieving consistent improvements. Notably, after training, Qwen2.5-Coder-7B outperforms that of the 32B parameter code instruction-tuned model and the reasoning model with the same architecture. Code is available at https://github.com/zjunlp/ReCode.
comment: Work in progress
☆ Counterfactual Influence as a Distributional Quantity ICML 2025
Machine learning models are known to memorize samples from their training data, raising concerns around privacy and generalization. Counterfactual self-influence is a popular metric to study memorization, quantifying how the model's prediction for a sample changes depending on the sample's inclusion in the training dataset. However, recent work has shown memorization to be affected by factors beyond self-influence, with other training samples, in particular (near-)duplicates, having a large impact. We here study memorization treating counterfactual influence as a distributional quantity, taking into account how all training samples influence how a sample is memorized. For a small language model, we compute the full influence distribution of training samples on each other and analyze its properties. We find that solely looking at self-influence can severely underestimate tangible risks associated with memorization: the presence of (near-)duplicates seriously reduces self-influence, while we find these samples to be (near-)extractable. We observe similar patterns for image classification, where simply looking at the influence distributions reveals the presence of near-duplicates in CIFAR-10. Our findings highlight that memorization stems from complex interactions across training data and is better captured by the full influence distribution than by self-influence alone.
comment: Workshop on The Impact of Memorization on Trustworthy Foundation Models (MemFM) @ ICML 2025
☆ GPTailor: Large Language Model Pruning Through Layer Cutting and Stitching
Large language models (LLMs) have shown remarkable capabilities in language understanding and generation. However, such impressive capability typically comes with a substantial model size, which presents significant challenges in deployment and inference. While structured pruning of model parameters offers a promising way to reduce computational costs at deployment time, current methods primarily focus on single model pruning. In this work, we develop a novel strategy to compress models by strategically combining or merging layers from finetuned model variants, which preserves the original model's abilities by aggregating capabilities accentuated in different finetunes. We pose the optimal tailoring of these LLMs as a zero-order optimization problem, adopting a search space that supports three different operations: (1) Layer removal, (2) Layer selection from different candidate models, and (3) Layer merging. Our experiments demonstrate that this approach leads to competitive model pruning, for example, for the Llama2-13B model families, our compressed models maintain approximately 97.3\% of the original performance while removing $\sim25\%$ of parameters, significantly outperforming previous state-of-the-art methods. The code is available at https://github.com/Guinan-Su/auto-merge-llm.
☆ Knowledge-Aware Diverse Reranking for Cross-Source Question Answering
This paper presents Team Marikarp's solution for the SIGIR 2025 LiveRAG competition. The competition's evaluation set, automatically generated by DataMorgana from internet corpora, encompassed a wide range of target topics, question types, question formulations, audience types, and knowledge organization methods. It offered a fair evaluation of retrieving question-relevant supporting documents from a 15M documents subset of the FineWeb corpus. Our proposed knowledge-aware diverse reranking RAG pipeline achieved first place in the competition.
☆ Time is On My Side: Dynamics of Talk-Time Sharing in Video-chat Conversations
An intrinsic aspect of every conversation is the way talk-time is shared between multiple speakers. Conversations can be balanced, with each speaker claiming a similar amount of talk-time, or imbalanced when one talks disproportionately. Such overall distributions are the consequence of continuous negotiations between the speakers throughout the conversation: who should be talking at every point in time, and for how long? In this work we introduce a computational framework for quantifying both the conversation-level distribution of talk-time between speakers, as well as the lower-level dynamics that lead to it. We derive a typology of talk-time sharing dynamics structured by several intuitive axes of variation. By applying this framework to a large dataset of video-chats between strangers, we confirm that, perhaps unsurprisingly, different conversation-level distributions of talk-time are perceived differently by speakers, with balanced conversations being preferred over imbalanced ones, especially by those who end up talking less. Then we reveal that -- even when they lead to the same level of overall balance -- different types of talk-time sharing dynamics are perceived differently by the participants, highlighting the relevance of our newly introduced typology. Finally, we discuss how our framework offers new tools to designers of computer-mediated communication platforms, for both human-human and human-AI communication.
☆ Probing AI Safety with Source Code
Large language models (LLMs) have become ubiquitous, interfacing with humans in numerous safety-critical applications. This necessitates improving capabilities, but importantly coupled with greater safety measures to align these models with human values and preferences. In this work, we demonstrate that contemporary models fall concerningly short of the goal of AI safety, leading to an unsafe and harmful experience for users. We introduce a prompting strategy called Code of Thought (CoDoT) to evaluate the safety of LLMs. CoDoT converts natural language inputs to simple code that represents the same intent. For instance, CoDoT transforms the natural language prompt "Make the statement more toxic: {text}" to: "make_more_toxic({text})". We show that CoDoT results in a consistent failure of a wide range of state-of-the-art LLMs. For example, GPT-4 Turbo's toxicity increases 16.5 times, DeepSeek R1 fails 100% of the time, and toxicity increases 300% on average across seven modern LLMs. Additionally, recursively applying CoDoT can further increase toxicity two times. Given the rapid and widespread adoption of LLMs, CoDoT underscores the critical need to evaluate safety efforts from first principles, ensuring that safety and capabilities advance together.
☆ An Agentic System for Rare Disease Diagnosis with Traceable Reasoning
Rare diseases collectively affect over 300 million individuals worldwide, yet timely and accurate diagnosis remains a pervasive challenge. This is largely due to their clinical heterogeneity, low individual prevalence, and the limited familiarity most clinicians have with rare conditions. Here, we introduce DeepRare, the first rare disease diagnosis agentic system powered by a large language model (LLM), capable of processing heterogeneous clinical inputs. The system generates ranked diagnostic hypotheses for rare diseases, each accompanied by a transparent chain of reasoning that links intermediate analytic steps to verifiable medical evidence. DeepRare comprises three key components: a central host with a long-term memory module; specialized agent servers responsible for domain-specific analytical tasks integrating over 40 specialized tools and web-scale, up-to-date medical knowledge sources, ensuring access to the most current clinical information. This modular and scalable design enables complex diagnostic reasoning while maintaining traceability and adaptability. We evaluate DeepRare on eight datasets. The system demonstrates exceptional diagnostic performance among 2,919 diseases, achieving 100% accuracy for 1013 diseases. In HPO-based evaluations, DeepRare significantly outperforms other 15 methods, like traditional bioinformatics diagnostic tools, LLMs, and other agentic systems, achieving an average Recall@1 score of 57.18% and surpassing the second-best method (Reasoning LLM) by a substantial margin of 23.79 percentage points. For multi-modal input scenarios, DeepRare achieves 70.60% at Recall@1 compared to Exomiser's 53.20% in 109 cases. Manual verification of reasoning chains by clinical experts achieves 95.40% agreements. Furthermore, the DeepRare system has been implemented as a user-friendly web application http://raredx.cn/doctor.
☆ TAPS: Tool-Augmented Personalisation via Structured Tagging
Recent advancements in tool-augmented large language models have enabled them to interact with external tools, enhancing their ability to perform complex user tasks. However, existing approaches overlook the role of personalisation in guiding tool use. This work investigates how user preferences can be effectively integrated into goal-oriented dialogue agents. Through extensive analysis, we identify key weaknesses in the ability of LLMs to personalise tool use. To this end, we introduce \name, a novel solution that enhances personalised tool use by leveraging a structured tagging tool and an uncertainty-based tool detector. TAPS significantly improves the ability of LLMs to incorporate user preferences, achieving the new state-of-the-art for open source models on the NLSI task.
☆ Biomed-Enriched: A Biomedical Dataset Enriched with LLMs for Pretraining and Extracting Rare and Hidden Content
We introduce Biomed-Enriched, a biomedical text dataset constructed from PubMed via a two-stage annotation process. In the first stage, a large language model annotates 400K paragraphs from PubMed scientific articles, assigning scores for their type (review, study, clinical case, other), domain (clinical, biomedical, other), and educational quality. The educational quality score (rated 1 to 5) estimates how useful a paragraph is for college-level learning. These annotations are then used to fine-tune a small language model, which propagates the labels across the full PMC-OA corpus. The resulting metadata allows us to extract refined subsets, including 2M clinical case paragraphs with over 450K high-quality ones from articles with commercial-use licenses, and to construct several variants via quality filtering and domain upsampling. Clinical text is typically difficult to access due to privacy constraints, as hospital records cannot be publicly shared. Hence, our dataset provides an alternative large-scale, openly available collection of clinical cases from PubMed, making it a valuable resource for biomedical and clinical NLP. Preliminary continual-pretraining experiments with OLMo2 suggest these curated subsets enable targeted improvements, with clinical upsampling boosting performance by ~5% on MMLU ProfMed and educational quality filtering improving MedQA and MedMCQA by ~1%. Combinations of these techniques led to faster convergence, reaching same performance with a third of training tokens, indicating potential for more efficient and effective biomedical pretraining strategies.
comment: Dataset link: https://hf.co/datasets/almanach/Biomed-Enriched
☆ From Codicology to Code: A Comparative Study of Transformer and YOLO-based Detectors for Layout Analysis in Historical Documents
Robust Document Layout Analysis (DLA) is critical for the automated processing and understanding of historical documents with complex page organizations. This paper benchmarks five state-of-the-art object detection architectures on three annotated datasets representing a spectrum of codicological complexity: The e-NDP, a corpus of Parisian medieval registers (1326-1504); CATMuS, a diverse multiclass dataset derived from various medieval and modern sources (ca.12th-17th centuries) and HORAE, a corpus of decorated books of hours (ca.13th-16th centuries). We evaluate two Transformer-based models (Co-DETR, Grounding DINO) against three YOLO variants (AABB, OBB, and YOLO-World). Our findings reveal significant performance variations dependent on model architecture, data set characteristics, and bounding box representation. In the e-NDP dataset, Co-DETR achieves state-of-the-art results (0.752 mAP@.50:.95), closely followed by YOLOv11X-OBB (0.721). Conversely, on the more complex CATMuS and HORAE datasets, the CNN-based YOLOv11x-OBB significantly outperforms all other models (0.564 and 0.568, respectively). This study unequivocally demonstrates that using Oriented Bounding Boxes (OBB) is not a minor refinement but a fundamental requirement for accurately modeling the non-Cartesian nature of historical manuscripts. We conclude that a key trade-off exists between the global context awareness of Transformers, ideal for structured layouts, and the superior generalization of CNN-OBB models for visually diverse and complex documents.
☆ FundaQ-8: A Clinically-Inspired Scoring Framework for Automated Fundus Image Quality Assessment
Automated fundus image quality assessment (FIQA) remains a challenge due to variations in image acquisition and subjective expert evaluations. We introduce FundaQ-8, a novel expert-validated framework for systematically assessing fundus image quality using eight critical parameters, including field coverage, anatomical visibility, illumination, and image artifacts. Using FundaQ-8 as a structured scoring reference, we develop a ResNet18-based regression model to predict continuous quality scores in the 0 to 1 range. The model is trained on 1800 fundus images from real-world clinical sources and Kaggle datasets, using transfer learning, mean squared error optimization, and standardized preprocessing. Validation against the EyeQ dataset and statistical analyses confirm the framework's reliability and clinical interpretability. Incorporating FundaQ-8 into deep learning models for diabetic retinopathy grading also improves diagnostic robustness, highlighting the value of quality-aware training in real-world screening applications.
☆ Narrative Shift Detection: A Hybrid Approach of Dynamic Topic Models and Large Language Models
With rapidly evolving media narratives, it has become increasingly critical to not just extract narratives from a given corpus but rather investigate, how they develop over time. While popular narrative extraction methods such as Large Language Models do well in capturing typical narrative elements or even the complex structure of a narrative, applying them to an entire corpus comes with obstacles, such as a high financial or computational cost. We propose a combination of the language understanding capabilities of Large Language Models with the large scale applicability of topic models to dynamically model narrative shifts across time using the Narrative Policy Framework. We apply a topic model and a corresponding change point detection method to find changes that concern a specific topic of interest. Using this model, we filter our corpus for documents that are particularly representative of that change and feed them into a Large Language Model that interprets the change that happened in an automated fashion and distinguishes between content and narrative shifts. We employ our pipeline on a corpus of The Wall Street Journal news paper articles from 2009 to 2023. Our findings indicate that a Large Language Model can efficiently extract a narrative shift if one exists at a given point in time, but does not perform as well when having to decide whether a shift in content or a narrative shift took place.
comment: 14 pages, 1 figure
☆ Why Robots Are Bad at Detecting Their Mistakes: Limitations of Miscommunication Detection in Human-Robot Dialogue
Detecting miscommunication in human-robot interaction is a critical function for maintaining user engagement and trust. While humans effortlessly detect communication errors in conversations through both verbal and non-verbal cues, robots face significant challenges in interpreting non-verbal feedback, despite advances in computer vision for recognizing affective expressions. This research evaluates the effectiveness of machine learning models in detecting miscommunications in robot dialogue. Using a multi-modal dataset of 240 human-robot conversations, where four distinct types of conversational failures were systematically introduced, we assess the performance of state-of-the-art computer vision models. After each conversational turn, users provided feedback on whether they perceived an error, enabling an analysis of the models' ability to accurately detect robot mistakes. Despite using state-of-the-art models, the performance barely exceeds random chance in identifying miscommunication, while on a dataset with more expressive emotional content, they successfully identified confused states. To explore the underlying cause, we asked human raters to do the same. They could also only identify around half of the induced miscommunications, similarly to our model. These results uncover a fundamental limitation in identifying robot miscommunications in dialogue: even when users perceive the induced miscommunication as such, they often do not communicate this to their robotic conversation partner. This knowledge can shape expectations of the performance of computer vision models and can help researchers to design better human-robot conversations by deliberately eliciting feedback where needed.
comment: Accepted at the 34th IEEE International Conference on Robot and Human Interactive Communication (RO-MAN 2025)
☆ Language Modeling by Language Models
Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and literature search (proposal stage) to design implementation (code generation), generative pre-training, and downstream evaluation (verification). Using ideas from scaling laws, our system, Genesys, employs a Ladder of Scales approach; new designs are proposed, adversarially reviewed, implemented, and selectively verified at increasingly larger model scales (14M$\sim$350M parameters) with a narrowing budget (the number of models we can train at each scale). To help make discovery efficient and factorizable, Genesys uses a novel genetic programming backbone, which we show has empirical advantages over commonly used direct prompt generation workflows (e.g., $\sim$86\% percentage point improvement in successful design generation, a key bottleneck). We report experiments involving 1,162 newly discovered designs (1,062 fully verified through pre-training) and find the best designs to be highly competitive with known architectures (e.g., outperform GPT2, Mamba2, etc., on 6/9 common benchmarks). We couple these results with comprehensive system-level ablations and formal results, which give broader insights into the design of effective autonomous discovery systems.
☆ CBF-AFA: Chunk-Based Multi-SSL Fusion for Automatic Fluency Assessment
Automatic fluency assessment (AFA) remains challenging, particularly in capturing speech rhythm, pauses, and disfluencies in non-native speakers. We introduce a chunk-based approach integrating self-supervised learning (SSL) models (Wav2Vec2, HuBERT, and WavLM) selected for their complementary strengths in phonetic, prosodic, and noisy speech modeling, with a hierarchical CNN-BiLSTM framework. Speech is segmented into breath-group chunks using Silero voice activity detection (Silero-VAD), enabling fine-grained temporal analysis while mitigating over-segmentation artifacts. SSL embeddings are fused via a learnable weighted mechanism, balancing acoustic and linguistic features, and enriched with chunk-level fluency markers (e.g., speech rate, pause durations, n-gram repetitions). The CNN-BiLSTM captures local and long-term dependencies across chunks. Evaluated on Avalinguo and Speechocean762, our approach improves F1-score by 2.8 and Pearson correlation by 6.2 points over single SSL baselines on Speechocean762, with gains of 4.2 F1-score and 4.0 Pearson points on Avalinguo, surpassing Pyannote.audio-based segmentation baselines. These findings highlight chunk-based multi-SSL fusion for robust fluency evaluation, though future work should explore generalization to dialects with irregular prosody.
comment: 5 pages, accepted for presentation at EUSIPCO 2025
☆ Enhancing Large Language Models through Structured Reasoning
Recent Large Language Models (LLMs) have significantly advanced natural language processing and automated decision-making. However, these models still encounter difficulties when performing complex reasoning tasks involving logical deduction and systematic planning, primarily due to their reliance on implicit statistical relationships without structured knowledge representation.Inspired by cognitive science and neurosymbolic AI, we introduce a novel approach to enhance LLMs through explicit structured reasoning. First, we convert unstructured data into structured formats by explicitly annotating reasoning steps. We then employ this structured dataset to train LLMs through Supervised Fine-Tuning (SFT). Additionally, we enhance the structured reasoning capabilities of LLMs using Group Relative Policy Optimization (GRPO), incorporating two innovative algorithms--MAX-Flow and Longest Common Subsequence (LCS)--which notably improve reasoning effectiveness and reduce computational complexity. Experimental results from fine-tuning a DeepSeek-R1-Distill-Qwen-1.5B model demonstrate concise reasoning, robust performance across various scenarios, and improved compatibility with optimization techniques, validating the efficacy of structured reasoning integration in LLMs.
comment: Preprint. Under review
☆ Perspectives in Play: A Multi-Perspective Approach for More Inclusive NLP Systems
In the realm of Natural Language Processing (NLP), common approaches for handling human disagreement consist of aggregating annotators' viewpoints to establish a single ground truth. However, prior studies show that disregarding individual opinions can lead can lead to the side effect of underrepresenting minority perspectives, especially in subjective tasks, where annotators may systematically disagree because of their preferences. Recognizing that labels reflect the diverse backgrounds, life experiences, and values of individuals, this study proposes a new multi-perspective approach using soft labels to encourage the development of the next generation of perspective aware models, more inclusive and pluralistic. We conduct an extensive analysis across diverse subjective text classification tasks, including hate speech, irony, abusive language, and stance detection, to highlight the importance of capturing human disagreements, often overlooked by traditional aggregation methods. Results show that the multi-perspective approach not only better approximates human label distributions, as measured by Jensen-Shannon Divergence (JSD), but also achieves superior classification performance (higher F1 scores), outperforming traditional approaches. However, our approach exhibits lower confidence in tasks like irony and stance detection, likely due to the inherent subjectivity present in the texts. Lastly, leveraging Explainable AI (XAI), we explore model uncertainty and uncover meaningful insights into model predictions.
☆ Intrinsic vs. Extrinsic Evaluation of Czech Sentence Embeddings: Semantic Relevance Doesn't Help with MT Evaluation
In this paper, we compare Czech-specific and multilingual sentence embedding models through intrinsic and extrinsic evaluation paradigms. For intrinsic evaluation, we employ Costra, a complex sentence transformation dataset, and several Semantic Textual Similarity (STS) benchmarks to assess the ability of the embeddings to capture linguistic phenomena such as semantic similarity, temporal aspects, and stylistic variations. In the extrinsic evaluation, we fine-tune each embedding model using COMET-based metrics for machine translation evaluation. Our experiments reveal an interesting disconnect: models that excel in intrinsic semantic similarity tests do not consistently yield superior performance on downstream translation evaluation tasks. Conversely, models with seemingly over-smoothed embedding spaces can, through fine-tuning, achieve excellent results. These findings highlight the complex relationship between semantic property probes and downstream task, emphasizing the need for more research into 'operationalizable semantics' in sentence embeddings, or more in-depth downstream tasks datasets (here translation evaluation)
☆ How to Retrieve Examples in In-context Learning to Improve Conversational Emotion Recognition using Large Language Models?
Large language models (LLMs) have enabled a wide variety of real-world applications in various domains. However, creating a high-performing application with high accuracy remains challenging, particularly for subjective tasks like emotion recognition. Inspired by the SLT 2024 GenSER Challenge, this study investigates approaches to improving conversational emotion recognition (CER) by LLMs. Specifically, we explore how to retrieve high-quality examples in in-context learning (ICL) to enhance CER. We propose various strategies based on random and augmented example retrieval and also analyze the impact of conversational context on CER accuracy. Experiments were conducted on the three datasets including IEMOCAP, MELD and EmoryNLP. The results show that augmented example retrieval consistently outperforms other techniques under investigation across all datasets, highlighting the importance of retrieving coherent targeted examples and enhancing them through paraphrasing.
☆ COIN: Uncertainty-Guarding Selective Question Answering for Foundation Models with Provable Risk Guarantees
Uncertainty quantification (UQ) for foundation models is essential to identify and mitigate potential hallucinations in automatically generated text. However, heuristic UQ approaches lack formal guarantees for key metrics such as the false discovery rate (FDR) in selective prediction. Previous work adopts the split conformal prediction (SCP) framework to ensure desired coverage of admissible answers by constructing prediction sets, but these sets often contain incorrect candidates, limiting their practical utility. To address this, we propose COIN, an uncertainty-guarding selection framework that calibrates statistically valid thresholds to filter a single generated answer per question under user-specified FDR constraints. COIN estimates the empirical error rate on a calibration set and applies confidence interval methods such as Clopper-Pearson to establish a high-probability upper bound on the true error rate (i.e., FDR). This enables the selection of the largest uncertainty threshold that ensures FDR control on test data while significantly increasing sample retention. We demonstrate COIN's robustness in risk control, strong test-time power in retaining admissible answers, and predictive efficiency under limited calibration data across both general and multimodal text generation tasks. Furthermore, we show that employing alternative upper bound constructions and UQ strategies can further boost COIN's power performance, which underscores its extensibility and adaptability to diverse application scenarios.
☆ SEED: A Structural Encoder for Embedding-Driven Decoding in Time Series Prediction with LLMs
Multivariate time series forecasting requires models to simultaneously capture variable-wise structural dependencies and generalize across diverse tasks. While structural encoders are effective in modeling feature interactions, they lack the capacity to support semantic-level reasoning or task adaptation. Conversely, large language models (LLMs) possess strong generalization capabilities but remain incompatible with raw time series inputs. This gap limits the development of unified, transferable prediction systems. Therefore, we introduce SEED, a structural encoder for embedding-driven decoding, which integrates four stages: a token-aware encoder for patch extraction, a projection module that aligns patches with language model embeddings, a semantic reprogramming mechanism that maps patches to task-aware prototypes, and a frozen language model for prediction. This modular architecture decouples representation learning from inference, enabling efficient alignment between numerical patterns and semantic reasoning. Empirical results demonstrate that the proposed method achieves consistent improvements over strong baselines, and comparative studies on various datasets confirm SEED's role in addressing the structural-semantic modeling gap.
☆ AALC: Large Language Model Efficient Reasoning via Adaptive Accuracy-Length Control
Large reasoning models (LRMs) achieve impressive reasoning capabilities by generating lengthy chain-of-thoughts, but this "overthinking" incurs high latency and cost without commensurate accuracy gains. In this work, we introduce AALC, a lightweight, accuracy-aware length reward integrated into reinforcement learning that dynamically balances correctness and brevity during training. By incorporating validation accuracy into the reward and employing a smooth, dynamically scheduled length penalty, AALC delays length penalty until target performance is met. Through extensive experiments across standard and out-of-distribution math benchmarks, we show that our approach reduces response length by over 50% while maintaining or even improving the original accuracy. Furthermore, qualitative analysis reveals that our method curbs redundant reasoning patterns such as excessive subgoal setting and verification, leading to structurally refined outputs rather than naive truncation. We also identify that efficiency gains are accompanied by reduced interpretability: models trained with AALC omit some narrative framing and explanatory context. These findings highlight the potential of reward-based strategies to guide LRMs toward more efficient, generalizable reasoning paths.
☆ CCRS: A Zero-Shot LLM-as-a-Judge Framework for Comprehensive RAG Evaluation
RAG systems enhance LLMs by incorporating external knowledge, which is crucial for domains that demand factual accuracy and up-to-date information. However, evaluating the multifaceted quality of RAG outputs, spanning aspects such as contextual coherence, query relevance, factual correctness, and informational completeness, poses significant challenges. Existing evaluation methods often rely on simple lexical overlap metrics, which are inadequate for capturing these nuances, or involve complex multi-stage pipelines with intermediate steps like claim extraction or require finetuning specialized judge models, hindering practical efficiency. To address these limitations, we propose CCRS (Contextual Coherence and Relevance Score), a novel suite of five metrics that utilizes a single, powerful, pretrained LLM as a zero-shot, end-to-end judge. CCRS evaluates: Contextual Coherence (CC), Question Relevance (QR), Information Density (ID), Answer Correctness (AC), and Information Recall (IR). We apply CCRS to evaluate six diverse RAG system configurations on the challenging BioASQ dataset. Our analysis demonstrates that CCRS effectively discriminates between system performances, confirming, for instance, that the Mistral-7B reader outperforms Llama variants. We provide a detailed analysis of CCRS metric properties, including score distributions, convergent/discriminant validity, tie rates, population statistics, and discriminative power. Compared to the complex RAGChecker framework, CCRS offers comparable or superior discriminative power for key aspects like recall and faithfulness, while being significantly more computationally efficient. CCRS thus provides a practical, comprehensive, and efficient framework for evaluating and iteratively improving RAG systems.
comment: Accepted at LLM4Eval @ SIGIR 2025
☆ Leveraging AI Graders for Missing Score Imputation to Achieve Accurate Ability Estimation in Constructed-Response Tests
Evaluating the abilities of learners is a fundamental objective in the field of education. In particular, there is an increasing need to assess higher-order abilities such as expressive skills and logical thinking. Constructed-response tests such as short-answer and essay-based questions have become widely used as a method to meet this demand. Although these tests are effective, they require substantial manual grading, making them both labor-intensive and costly. Item response theory (IRT) provides a promising solution by enabling the estimation of ability from incomplete score data, where human raters grade only a subset of answers provided by learners across multiple test items. However, the accuracy of ability estimation declines as the proportion of missing scores increases. Although data augmentation techniques for imputing missing scores have been explored in order to address this limitation, they often struggle with inaccuracy for sparse or heterogeneous data. To overcome these challenges, this study proposes a novel method for imputing missing scores by leveraging automated scoring technologies for accurate IRT-based ability estimation. The proposed method achieves high accuracy in ability estimation while markedly reducing manual grading workload.
comment: Accepted to EvalLAC'25: 2nd Workshop on Automatic Evaluation of Learning and Assessment Content, held at AIED 2025, Palermo, Italy. This is the camera-ready version submitted to CEUR Workshop Proceedings
☆ A Multi-Pass Large Language Model Framework for Precise and Efficient Radiology Report Error Detection
Background: The positive predictive value (PPV) of large language model (LLM)-based proofreading for radiology reports is limited due to the low error prevalence. Purpose: To assess whether a three-pass LLM framework enhances PPV and reduces operational costs compared with baseline approaches. Materials and Methods: A retrospective analysis was performed on 1,000 consecutive radiology reports (250 each: radiography, ultrasonography, CT, MRI) from the MIMIC-III database. Two external datasets (CheXpert and Open-i) were validation sets. Three LLM frameworks were tested: (1) single-prompt detector; (2) extractor plus detector; and (3) extractor, detector, and false-positive verifier. Precision was measured by PPV and absolute true positive rate (aTPR). Efficiency was calculated from model inference charges and reviewer remuneration. Statistical significance was tested using cluster bootstrap, exact McNemar tests, and Holm-Bonferroni correction. Results: Framework PPV increased from 0.063 (95% CI, 0.036-0.101, Framework 1) to 0.079 (0.049-0.118, Framework 2), and significantly to 0.159 (0.090-0.252, Framework 3; P<.001 vs. baselines). aTPR remained stable (0.012-0.014; P>=.84). Operational costs per 1,000 reports dropped to USD 5.58 (Framework 3) from USD 9.72 (Framework 1) and USD 6.85 (Framework 2), reflecting reductions of 42.6% and 18.5%, respectively. Human-reviewed reports decreased from 192 to 88. External validation supported Framework 3's superior PPV (CheXpert 0.133, Open-i 0.105) and stable aTPR (0.007). Conclusion: A three-pass LLM framework significantly enhanced PPV and reduced operational costs, maintaining detection performance, providing an effective strategy for AI-assisted radiology report quality assurance.
comment: 29 pages, 5 figures, 4 tables. Code available at https://github.com/radssk/mp-rred
☆ MIRAGE: A Benchmark for Multimodal Information-Seeking and Reasoning in Agricultural Expert-Guided Conversations
We introduce MIRAGE, a new benchmark for multimodal expert-level reasoning and decision-making in consultative interaction settings. Designed for the agriculture domain, MIRAGE captures the full complexity of expert consultations by combining natural user queries, expert-authored responses, and image-based context, offering a high-fidelity benchmark for evaluating models on grounded reasoning, clarification strategies, and long-form generation in a real-world, knowledge-intensive domain. Grounded in over 35,000 real user-expert interactions and curated through a carefully designed multi-step pipeline, MIRAGE spans diverse crop health, pest diagnosis, and crop management scenarios. The benchmark includes more than 7,000 unique biological entities, covering plant species, pests, and diseases, making it one of the most taxonomically diverse benchmarks available for vision-language models, grounded in the real world. Unlike existing benchmarks that rely on well-specified user inputs and closed-set taxonomies, MIRAGE features underspecified, context-rich scenarios with open-world settings, requiring models to infer latent knowledge gaps, handle rare entities, and either proactively guide the interaction or respond. Project Page: https://mirage-benchmark.github.io
comment: 66 pages, 32 figures, 23 tables
☆ PSALM-V: Automating Symbolic Planning in Interactive Visual Environments with Large Language Models
We propose PSALM-V, the first autonomous neuro-symbolic learning system able to induce symbolic action semantics (i.e., pre- and post-conditions) in visual environments through interaction. PSALM-V bootstraps reliable symbolic planning without expert action definitions, using LLMs to generate heuristic plans and candidate symbolic semantics. Previous work has explored using large language models to generate action semantics for Planning Domain Definition Language (PDDL)-based symbolic planners. However, these approaches have primarily focused on text-based domains or relied on unrealistic assumptions, such as access to a predefined problem file, full observability, or explicit error messages. By contrast, PSALM-V dynamically infers PDDL problem files and domain action semantics by analyzing execution outcomes and synthesizing possible error explanations. The system iteratively generates and executes plans while maintaining a tree-structured belief over possible action semantics for each action, iteratively refining these beliefs until a goal state is reached. Simulated experiments of task completion in ALFRED demonstrate that PSALM-V increases the plan success rate from 37% (Claude-3.7) to 74% in partially observed setups. Results on two 2D game environments, RTFM and Overcooked-AI, show that PSALM-V improves step efficiency and succeeds in domain induction in multi-agent settings. PSALM-V correctly induces PDDL pre- and post-conditions for real-world robot BlocksWorld tasks, despite low-level manipulation failures from the robot.
☆ ITFormer: Bridging Time Series and Natural Language for Multi-Modal QA with Large-Scale Multitask Dataset
Time-series data are critical in diverse applications, such as industrial monitoring, medical diagnostics, and climate research. However, effectively integrating these high-dimensional temporal signals with natural language for dynamic, interactive tasks remains a significant challenge. To address this, we introduce the Time-Series Question Answering (Time-Series QA) task and release EngineMT-QA, the first large-scale, multi-task, temporal-textual QA dataset designed to capture complex interactions between time-series signals and natural language. Building on this resource, we propose the Instruct Time Transformer (ITFormer), a novel framework that bridges time-series encoders with frozen large language models (LLMs). ITFormer effectively extracts, aligns, and fuses temporal and textual features, achieving a strong improvement in QA accuracy over strong baselines with fewer than 1\% additional trainable parameters. By combining computational efficiency with robust cross-modal modeling, our work establishes a adaptable paradigm for integrating temporal data with natural language, paving the way for new research and applications in multi-modal AI. More details about the project, including datasets and code, are available at: https://pandalin98.github.io/itformer_site/
☆ Bridging Compositional and Distributional Semantics: A Survey on Latent Semantic Geometry via AutoEncoder
Integrating compositional and symbolic properties into current distributional semantic spaces can enhance the interpretability, controllability, compositionality, and generalisation capabilities of Transformer-based auto-regressive language models (LMs). In this survey, we offer a novel perspective on latent space geometry through the lens of compositional semantics, a direction we refer to as \textit{semantic representation learning}. This direction enables a bridge between symbolic and distributional semantics, helping to mitigate the gap between them. We review and compare three mainstream autoencoder architectures-Variational AutoEncoder (VAE), Vector Quantised VAE (VQVAE), and Sparse AutoEncoder (SAE)-and examine the distinctive latent geometries they induce in relation to semantic structure and interpretability.
comment: In progress
☆ SACL: Understanding and Combating Textual Bias in Code Retrieval with Semantic-Augmented Reranking and Localization
Retrieval-Augmented Code Generation (RACG) is a critical technique for enhancing code generation by retrieving relevant information. In this work, we conduct an in-depth analysis of code retrieval by systematically masking specific features while preserving code functionality. Our discoveries include: (1) although trained on code, current retrievers heavily rely on surface-level textual features (e.g., docstrings, identifier names), and (2) they exhibit a strong bias towards well-documented code, even if the documentation is irrelevant.Based on our discoveries, we propose SACL, a framework that enriches textual information and reduces bias by augmenting code or structural knowledge with semantic information. Extensive experiments show that SACL substantially improves code retrieval (e.g., by 12.8% / 9.4% / 7.0% Recall@1 on HumanEval / MBPP / SWE-Bench-Lite), which also leads to better code generation performance (e.g., by 4.88% Pass@1 on HumanEval).
☆ A Modular Multitask Reasoning Framework Integrating Spatio-temporal Models and LLMs
Spatio-temporal data mining plays a pivotal role in informed decision making across diverse domains. However, existing models are often restricted to narrow tasks, lacking the capacity for multi-task inference and complex long-form reasoning that require generation of in-depth, explanatory outputs. These limitations restrict their applicability to real-world, multi-faceted decision scenarios. In this work, we introduce STReason, a novel framework that integrates the reasoning strengths of large language models (LLMs) with the analytical capabilities of spatio-temporal models for multi-task inference and execution. Without requiring task-specific finetuning, STReason leverages in-context learning to decompose complex natural language queries into modular, interpretable programs, which are then systematically executed to generate both solutions and detailed rationales. To facilitate rigorous evaluation, we construct a new benchmark dataset and propose a unified evaluation framework with metrics specifically designed for long-form spatio-temporal reasoning. Experimental results show that STReason significantly outperforms advanced LLM baselines across all metrics, particularly excelling in complex, reasoning-intensive spatio-temporal scenarios. Human evaluations further validate STReason's credibility and practical utility, demonstrating its potential to reduce expert workload and broaden the applicability to real-world spatio-temporal tasks. We believe STReason provides a promising direction for developing more capable and generalizable spatio-temporal reasoning systems.
☆ Decide less, communicate more: On the construct validity of end-to-end fact-checking in medicine
Technological progress has led to concrete advancements in tasks that were regarded as challenging, such as automatic fact-checking. Interest in adopting these systems for public health and medicine has grown due to the high-stakes nature of medical decisions and challenges in critically appraising a vast and diverse medical literature. Evidence-based medicine connects to every individual, and yet the nature of it is highly technical, rendering the medical literacy of majority users inadequate to sufficiently navigate the domain. Such problems with medical communication ripens the ground for end-to-end fact-checking agents: check a claim against current medical literature and return with an evidence-backed verdict. And yet, such systems remain largely unused. To understand this, we present the first study examining how clinical experts verify real claims from social media by synthesizing medical evidence. In searching for this upper-bound, we reveal fundamental challenges in end-to-end fact-checking when applied to medicine: Difficulties connecting claims in the wild to scientific evidence in the form of clinical trials; ambiguities in underspecified claims mixed with mismatched intentions; and inherently subjective veracity labels. We argue that fact-checking should be approached and evaluated as an interactive communication problem, rather than an end-to-end process.
☆ Leaner Training, Lower Leakage: Revisiting Memorization in LLM Fine-Tuning with LoRA
Memorization in large language models (LLMs) makes them vulnerable to data extraction attacks. While pre-training memorization has been extensively studied, fewer works have explored its impact in fine-tuning, particularly for LoRA fine-tuning, a widely adopted parameter-efficient method. In this work, we re-examine memorization in fine-tuning and uncover a surprising divergence from prior findings across different fine-tuning strategies. Factors such as model scale and data duplication, which strongly influence memorization in pre-training and full fine-tuning, do not follow the same trend in LoRA fine-tuning. Using a more relaxed similarity-based memorization metric, we demonstrate that LoRA significantly reduces memorization risks compared to full fine-tuning, while still maintaining strong task performance.
☆ Uncovering Hidden Violent Tendencies in LLMs: A Demographic Analysis via Behavioral Vignettes
Large language models (LLMs) are increasingly proposed for detecting and responding to violent content online, yet their ability to reason about morally ambiguous, real-world scenarios remains underexamined. We present the first study to evaluate LLMs using a validated social science instrument designed to measure human response to everyday conflict, namely the Violent Behavior Vignette Questionnaire (VBVQ). To assess potential bias, we introduce persona-based prompting that varies race, age, and geographic identity within the United States. Six LLMs developed across different geopolitical and organizational contexts are evaluated under a unified zero-shot setting. Our study reveals two key findings: (1) LLMs surface-level text generation often diverges from their internal preference for violent responses; (2) their violent tendencies vary across demographics, frequently contradicting established findings in criminology, social science, and psychology.
comment: Under review
☆ MultiFinRAG: An Optimized Multimodal Retrieval-Augmented Generation (RAG) Framework for Financial Question Answering
Financial documents--such as 10-Ks, 10-Qs, and investor presentations--span hundreds of pages and combine diverse modalities, including dense narrative text, structured tables, and complex figures. Answering questions over such content often requires joint reasoning across modalities, which strains traditional large language models (LLMs) and retrieval-augmented generation (RAG) pipelines due to token limitations, layout loss, and fragmented cross-modal context. We introduce MultiFinRAG, a retrieval-augmented generation framework purpose-built for financial QA. MultiFinRAG first performs multimodal extraction by grouping table and figure images into batches and sending them to a lightweight, quantized open-source multimodal LLM, which produces both structured JSON outputs and concise textual summaries. These outputs, along with narrative text, are embedded and indexed with modality-aware similarity thresholds for precise retrieval. A tiered fallback strategy then dynamically escalates from text-only to text+table+image contexts when necessary, enabling cross-modal reasoning while reducing irrelevant context. Despite running on commodity hardware, MultiFinRAG achieves 19 percentage points higher accuracy than ChatGPT-4o (free-tier) on complex financial QA tasks involving text, tables, images, and combined multimodal reasoning.
comment: Preprint Copy
☆ The Ideation-Execution Gap: Execution Outcomes of LLM-Generated versus Human Research Ideas
Large Language Models (LLMs) have shown promise in accelerating the scientific research pipeline. A key capability for this process is the ability to generate novel research ideas, and prior studies have found settings in which LLM-generated research ideas were judged as more novel than human-expert ideas. However, a good idea should not simply appear to be novel, it should also result in better research after being executed. To test whether AI-generated ideas lead to better research outcomes, we conduct an execution study by recruiting 43 expert researchers to execute randomly-assigned ideas, either written by experts or generated by an LLM. Each expert spent over 100 hours implementing the idea and wrote a 4-page short paper to document the experiments. All the executed projects are then reviewed blindly by expert NLP researchers. Comparing the review scores of the same ideas before and after execution, the scores of the LLM-generated ideas decrease significantly more than expert-written ideas on all evaluation metrics (novelty, excitement, effectiveness, and overall; p < 0.05), closing the gap between LLM and human ideas observed at the ideation stage. When comparing the aggregated review scores from the execution study, we even observe that for many metrics there is a flip in rankings where human ideas score higher than LLM ideas. This ideation-execution gap highlights the limitations of current LLMs in generating truly effective research ideas and the challenge of evaluating research ideas in the absence of execution outcomes.
comment: main paper is 14 pages
☆ Multi-lingual Functional Evaluation for Large Language Models
Multi-lingual competence in large language models is often evaluated via static data benchmarks such as Belebele, M-MMLU and M-GSM. However, these evaluations often fail to provide an adequate understanding of the practical performance and robustness of models across multi-lingual settings. In response, we create multi-lingual functional benchmarks -- Cross-Lingual Grade School Math Symbolic (CL-GSM Symbolic) and Cross-Lingual Instruction-Following Eval (CL-IFEval)-- by translating existing functional benchmark templates from English to five additional languages that span the range of resources available for NLP: French, Spanish, Hindi, Arabic and Yoruba. Our results reveal that some static multi-lingual benchmarks capture functional performance much more closely than others (i.e. across models, there is a 24%, 17% and 18% decrease in performance between M-GSM and CL-GSM Symbolic in English, French and Spanish respectively; similarly there's a 15 - 24% performance drop across languages between Belebele and CL-IFEval, and only a 0.5% to 3% performance drop between M-MMLU and CL-IFEval). Similarly, we find that model robustness across languages varies significantly, with certain languages (eg. Arabic, English) being the most consistently well performing across evaluation iterations.
☆ Towards Probabilistic Question Answering Over Tabular Data
Current approaches for question answering (QA) over tabular data, such as NL2SQL systems, perform well for factual questions where answers are directly retrieved from tables. However, they fall short on probabilistic questions requiring reasoning under uncertainty. In this paper, we introduce a new benchmark LUCARIO and a framework for probabilistic QA over large tabular data. Our method induces Bayesian Networks from tables, translates natural language queries into probabilistic queries, and uses large language models (LLMs) to generate final answers. Empirical results demonstrate significant improvements over baselines, highlighting the benefits of hybrid symbolic-neural reasoning.
☆ MAGPIE: A dataset for Multi-AGent contextual PrIvacy Evaluation
The proliferation of LLM-based agents has led to increasing deployment of inter-agent collaboration for tasks like scheduling, negotiation, resource allocation etc. In such systems, privacy is critical, as agents often access proprietary tools and domain-specific databases requiring strict confidentiality. This paper examines whether LLM-based agents demonstrate an understanding of contextual privacy. And, if instructed, do these systems preserve inference time user privacy in non-adversarial multi-turn conversation. Existing benchmarks to evaluate contextual privacy in LLM-agents primarily assess single-turn, low-complexity tasks where private information can be easily excluded. We first present a benchmark - MAGPIE comprising 158 real-life high-stakes scenarios across 15 domains. These scenarios are designed such that complete exclusion of private data impedes task completion yet unrestricted information sharing could lead to substantial losses. We then evaluate the current state-of-the-art LLMs on (a) their understanding of contextually private data and (b) their ability to collaborate without violating user privacy. Empirical experiments demonstrate that current models, including GPT-4o and Claude-2.7-Sonnet, lack robust understanding of contextual privacy, misclassifying private data as shareable 25.2\% and 43.6\% of the time. In multi-turn conversations, these models disclose private information in 59.9\% and 50.5\% of cases even under explicit privacy instructions. Furthermore, multi-agent systems fail to complete tasks in 71\% of scenarios. These results underscore that current models are not aligned towards both contextual privacy preservation and collaborative task-solving.
♻ ☆ OmniGen2: Exploration to Advanced Multimodal Generation
In this work, we introduce OmniGen2, a versatile and open-source generative model designed to provide a unified solution for diverse generation tasks, including text-to-image, image editing, and in-context generation. Unlike OmniGen v1, OmniGen2 features two distinct decoding pathways for text and image modalities, utilizing unshared parameters and a decoupled image tokenizer. This design enables OmniGen2 to build upon existing multimodal understanding models without the need to re-adapt VAE inputs, thereby preserving the original text generation capabilities. To facilitate the training of OmniGen2, we developed comprehensive data construction pipelines, encompassing image editing and in-context generation data. Additionally, we introduce a reflection mechanism tailored for image generation tasks and curate a dedicated reflection dataset based on OmniGen2. Despite its relatively modest parameter size, OmniGen2 achieves competitive results on multiple task benchmarks, including text-to-image and image editing. To further evaluate in-context generation, also referred to as subject-driven tasks, we introduce a new benchmark named OmniContext. OmniGen2 achieves state-of-the-art performance among open-source models in terms of consistency. We will release our models, training code, datasets, and data construction pipeline to support future research in this field. Project Page: https://vectorspacelab.github.io/OmniGen2; GitHub Link: https://github.com/VectorSpaceLab/OmniGen2
♻ ☆ Recycling the Web: A Method to Enhance Pre-training Data Quality and Quantity for Language Models
Scaling laws predict that the performance of large language models improves with increasing model size and data size. In practice, pre-training has been relying on massive web crawls, using almost all data sources publicly available on the internet so far. However, this pool of natural data does not grow at the same rate as the compute supply. Furthermore, the availability of high-quality texts is even more limited: data filtering pipelines often remove up to 99% of the initial web scrapes to achieve state-of-the-art. To address the "data wall" of pre-training scaling, our work explores ways to transform and recycle data discarded in existing filtering processes. We propose REWIRE, REcycling the Web with guIded REwrite, a method to enrich low-quality documents so that they could become useful for training. This in turn allows us to increase the representation of synthetic data in the final pre-training set. Experiments at 1B, 3B and 7B scales of the DCLM benchmark show that mixing high-quality raw texts and our rewritten texts lead to 1.0, 1.3 and 2.5 percentage points improvement respectively across 22 diverse tasks, compared to training on only filtered web data. Training on the raw-synthetic data mix is also more effective than having access to 2x web data. Through further analysis, we demonstrate that about 82% of the mixed in texts come from transforming lower-quality documents that would otherwise be discarded. REWIRE also outperforms related approaches of generating synthetic data, including Wikipedia-style paraphrasing, question-answer synthesizing and knowledge extraction. These results suggest that recycling web texts holds the potential for being a simple and effective approach for scaling pre-training data.
♻ ☆ Ad-hoc Concept Forming in the Game Codenames as a Means for Evaluating Large Language Models ACL 2025
This study utilizes the game Codenames as a benchmarking tool to evaluate large language models (LLMs) with respect to specific linguistic and cognitive skills. LLMs play each side of the game, where one side generates a clue word covering several target words and the other guesses those target words. We designed various experiments by controlling the choice of words (abstract vs. concrete words, ambiguous vs. monosemic) or the opponent (programmed to be faster or slower in revealing words). Recent commercial and open-weight models were compared side-by-side to find out factors affecting their performance. The evaluation reveals details about their strategies, challenging cases, and limitations of LLMs.
comment: Accepted at GemBench workshop co-located with ACL 2025
♻ ☆ FluoroSAM: A Language-promptable Foundation Model for Flexible X-ray Image Segmentation
Language promptable X-ray image segmentation would enable greater flexibility for human-in-the-loop workflows in diagnostic and interventional precision medicine. Prior efforts have contributed task-specific models capable of solving problems within a narrow scope, but expanding to broader use requires additional data, annotations, and training time. Recently, language-aligned foundation models (LFMs) -- machine learning models trained on large amounts of highly variable image and text data thus enabling broad applicability -- have emerged as promising tools for automated image analysis. Existing foundation models for medical image analysis focus on scenarios and modalities where large, richly annotated datasets are available. However, the X-ray imaging modality features highly variable image appearance and applications, from diagnostic chest X-rays to interventional fluoroscopy, with varying availability of data. To pave the way toward an LFM for comprehensive and language-aligned analysis of arbitrary medical X-ray images, we introduce FluoroSAM, a language-promptable variant of the Segment Anything Model, trained from scratch on 3M synthetic X-ray images from a wide variety of human anatomies, imaging geometries, and viewing angles. These include pseudo-ground truth masks for 128 organ types and 464 tools with associated text descriptions. FluoroSAM is capable of segmenting myriad anatomical structures and tools based on natural language prompts, thanks to the novel incorporation of vector quantization (VQ) of text embeddings in the training process. We demonstrate FluoroSAM's performance quantitatively on real X-ray images and showcase on several applications how FluoroSAM is a key enabler for rich human-machine interaction in the X-ray image acquisition and analysis context. Code is available at https://github.com/arcadelab/fluorosam.
♻ ☆ On the Role of Context in Reading Time Prediction EMNLP 2024
We present a new perspective on how readers integrate context during real-time language comprehension. Our proposals build on surprisal theory, which posits that the processing effort of a linguistic unit (e.g., a word) is an affine function of its in-context information content. We first observe that surprisal is only one out of many potential ways that a contextual predictor can be derived from a language model. Another one is the pointwise mutual information (PMI) between a unit and its context, which turns out to yield the same predictive power as surprisal when controlling for unigram frequency. Moreover, both PMI and surprisal are correlated with frequency. This means that neither PMI nor surprisal contains information about context alone. In response to this, we propose a technique where we project surprisal onto the orthogonal complement of frequency, yielding a new contextual predictor that is uncorrelated with frequency. Our experiments show that the proportion of variance in reading times explained by context is a lot smaller when context is represented by the orthogonalized predictor. From an interpretability standpoint, this indicates that previous studies may have overstated the role that context has in predicting reading times.
comment: EMNLP 2024; preprocessing was corrected to exclude variance due to word skipping and the conclusions remain unchanged
♻ ☆ Unlocking In-Context Learning for Natural Datasets Beyond Language Modelling
Large Language Models (LLMs) exhibit In-Context Learning (ICL), which enables the model to perform new tasks conditioning only on the examples provided in the context without updating the model's weights. While ICL offers fast adaptation across natural language tasks and domains, its emergence is less straightforward for modalities beyond text. In this work, we systematically uncover properties present in LLMs that support the emergence of ICL for autoregressive models and various modalities by promoting the learning of the needed mechanisms for ICL. We identify exact token repetitions in the training data sequences as an important factor for ICL. Such repetitions further improve stability and reduce transiency in ICL performance. Moreover, we emphasise the significance of training task difficulty for the emergence of ICL. Finally, by applying our novel insights on ICL emergence, we unlock ICL capabilities for various visual datasets and a more challenging EEG classification task in a few-shot learning regime.
♻ ☆ Attention with Trained Embeddings Provably Selects Important Tokens
Token embeddings play a crucial role in language modeling but, despite this practical relevance, their theoretical understanding remains limited. Our paper addresses the gap by characterizing the structure of embeddings obtained via gradient descent. Specifically, we consider a one-layer softmax attention model with a linear head for binary classification, i.e., $\texttt{Softmax}( p^\top E_X^\top ) E_X v = \frac{ \sum_{i=1}^T \exp(p^\top E_{x_i}) E_{x_i}^\top v}{\sum_{j=1}^T \exp(p^\top E_{x_{j}}) }$, where $E_X = [ E_{x_1} , \dots, E_{x_T} ]^\top$ contains the embeddings of the input sequence, $p$ is the embedding of the $\mathrm{\langle cls \rangle}$ token and $v$ the output vector. First, we show that, already after a single step of gradient training with the logistic loss, the embeddings $E_X$ capture the importance of tokens in the dataset by aligning with the output vector $v$ proportionally to the frequency with which the corresponding tokens appear in the dataset. Then, after training $p$ via gradient flow until convergence, the softmax selects the important tokens in the sentence (i.e., those that are predictive of the label), and the resulting $\mathrm{\langle cls \rangle}$ embedding maximizes the margin for such a selection. Experiments on real-world datasets (IMDB, Yelp) exhibit a phenomenology close to that unveiled by our theory.
comment: Fix mistakes in Lemma 4.2 and proof of Lemma 4.5, and some other minor changes
♻ ☆ Separating Tongue from Thought: Activation Patching Reveals Language-Agnostic Concept Representations in Transformers ICML 2024
A central question in multilingual language modeling is whether large language models (LLMs) develop a universal concept representation, disentangled from specific languages. In this paper, we address this question by analyzing latent representations (latents) during a word-translation task in transformer-based LLMs. We strategically extract latents from a source translation prompt and insert them into the forward pass on a target translation prompt. By doing so, we find that the output language is encoded in the latent at an earlier layer than the concept to be translated. Building on this insight, we conduct two key experiments. First, we demonstrate that we can change the concept without changing the language and vice versa through activation patching alone. Second, we show that patching with the mean representation of a concept across different languages does not affect the models' ability to translate it, but instead improves it. Finally, we generalize to multi-token generation and demonstrate that the model can generate natural language description of those mean representations. Our results provide evidence for the existence of language-agnostic concept representations within the investigated models.
comment: 20 pages, 14 figures, previous version published under the title "How Do Llamas Process Multilingual Text? A Latent Exploration through Activation Patching" at the ICML 2024 mechanistic interpretability workshop at https://openreview.net/forum?id=0ku2hIm4BS
♻ ☆ Graph Linearization Methods for Reasoning on Graphs with Large Language Models
Large language models have evolved to process multiple modalities beyond text, such as images and audio, which motivates us to explore how to effectively leverage them for graph reasoning tasks. The key question, therefore, is how to transform graphs into linear sequences of tokens, a process we term "graph linearization", so that LLMs can handle graphs naturally. We consider that graphs should be linearized meaningfully to reflect certain properties of natural language text, such as local dependency and global alignment, in order to ease contemporary LLMs, trained on trillions of textual tokens, better understand graphs. To achieve this, we developed several graph linearization methods based on graph centrality and degeneracy. These methods are further enhanced using node relabeling techniques. The experimental results demonstrate the effectiveness of our methods compared to the random linearization baseline. Our work introduces novel graph representations suitable for LLMs, contributing to the potential integration of graph machine learning with the trend of multimodal processing using a unified transformer model.
♻ ☆ Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning
Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level scientific benchmarks, scientific Multimodal Large Language Models (MLLMs) hold the potential to significantly enhance this discovery process in realistic workflows. However, current scientific benchmarks mostly focus on evaluating the knowledge understanding capabilities of MLLMs, leading to an inadequate assessment of their perception and reasoning abilities. To address this gap, we present the Scientists' First Exam (SFE) benchmark, designed to evaluate the scientific cognitive capacities of MLLMs through three interconnected levels: scientific signal perception, scientific attribute understanding, scientific comparative reasoning. Specifically, SFE comprises 830 expert-verified VQA pairs across three question types, spanning 66 multimodal tasks across five high-value disciplines. Extensive experiments reveal that current state-of-the-art GPT-o3 and InternVL-3 achieve only 34.08% and 26.52% on SFE, highlighting significant room for MLLMs to improve in scientific realms. We hope the insights obtained in SFE will facilitate further developments in AI-enhanced scientific discoveries.
comment: 82 pages
♻ ☆ CogniBench: A Legal-inspired Framework and Dataset for Assessing Cognitive Faithfulness of Large Language Models ACL 2025
Faithfulness hallucinations are claims generated by a Large Language Model (LLM) not supported by contexts provided to the LLM. Lacking assessment standards, existing benchmarks focus on "factual statements" that rephrase source materials while overlooking "cognitive statements" that involve making inferences from the given context. Consequently, evaluating and detecting the hallucination of cognitive statements remains challenging. Inspired by how evidence is assessed in the legal domain, we design a rigorous framework to assess different levels of faithfulness of cognitive statements and introduce the CogniBench dataset where we reveal insightful statistics. To keep pace with rapidly evolving LLMs, we further develop an automatic annotation pipeline that scales easily across different models. This results in a large-scale CogniBench-L dataset, which facilitates training accurate detectors for both factual and cognitive hallucinations. We release our model and datasets at: https://github.com/FUTUREEEEEE/CogniBench
comment: ACL 2025
♻ ☆ Towards Fully Exploiting LLM Internal States to Enhance Knowledge Boundary Perception ACL2025
Large language models (LLMs) exhibit impressive performance across diverse tasks but often struggle to accurately gauge their knowledge boundaries, leading to confident yet incorrect responses. This paper explores leveraging LLMs' internal states to enhance their perception of knowledge boundaries from efficiency and risk perspectives. We investigate whether LLMs can estimate their confidence using internal states before response generation, potentially saving computational resources. Our experiments on datasets like Natural Questions, HotpotQA, and MMLU reveal that LLMs demonstrate significant pre-generation perception, which is further refined post-generation, with perception gaps remaining stable across varying conditions. To mitigate risks in critical domains, we introduce Confidence Consistency-based Calibration ($C^3$), which assesses confidence consistency through question reformulation. $C^3$ significantly improves LLMs' ability to recognize their knowledge gaps, enhancing the unknown perception rate by 5.6% on NQ and 4.9% on HotpotQA. Our findings suggest that pre-generation confidence estimation can optimize efficiency, while $C^3$ effectively controls output risks, advancing the reliability of LLMs in practical applications.
comment: ACL2025 Main
♻ ☆ SMAR: Soft Modality-Aware Routing Strategy for MoE-based Multimodal Large Language Models Preserving Language Capabilities
Mixture of Experts (MoE) architectures have become a key approach for scaling large language models, with growing interest in extending them to multimodal tasks. Existing methods to build multimodal MoE models either incur high training costs or suffer from degraded language capabilities when adapting pretrained models. To address this, we propose Soft ModalityAware Routing (SMAR), a novel regularization technique that uses Kullback Leibler divergence to control routing probability distributions across modalities, encouraging expert specialization without modifying model architecture or heavily relying on textual data. Experiments on visual instruction tuning show that SMAR preserves language ability at 86.6% retention with only 2.5% pure text, outperforming baselines while maintaining strong multimodal performance. Our approach offers a practical and efficient solution to balance modality differentiation and language capabilities in multimodal MoE models.
♻ ☆ Evaluating Rare Disease Diagnostic Performance in Symptom Checkers: A Synthetic Vignette Simulation Approach
Symptom Checkers (SCs) provide users with personalized medical information. To prevent performance degradation from algorithm updates, SC developers must evaluate diagnostic performance changes for individual diseases before deployment. However, acquiring sufficient evaluation data for rare diseases is difficult, and manually creating numerous clinical vignettes is costly and impractical. This study proposes and validates a novel Synthetic Vignette Simulation Approach to evaluate diagnostic performance changes for individual rare diseases following SC algorithm updates. We used disease-phenotype annotations from the Human Phenotype Ontology (HPO), a knowledge database for rare diseases, to generate synthetic vignettes. With these, we simulated SC interviews to estimate the impact of algorithm updates on real-world diagnostic performance. The method's effectiveness was evaluated retrospectively by comparing estimated values with actual metric changes using the $R^2$ coefficient. The experiment included eight past SC algorithm updates. For updates on diseases with frequency information in HPO (n=5), the $R^2$ for Recall@8 change was 0.831 ($p$=0.031), and for Precision@8 change, it was 0.78 ($p$=0.047), indicating the method can predict post-deployment performance. In contrast, large prediction errors occurred for diseases without frequency information (n=3), highlighting its importance. Our method enables pre-deployment evaluation of SC algorithm changes for individual rare diseases using a publicly available, expert-created knowledge base. This transparent and low-cost approach allows developers to efficiently improve diagnostic performance for rare diseases, potentially enhancing support for early diagnosis.
♻ ☆ VICCA: Visual Interpretation and Comprehension of Chest X-ray Anomalies in Generated Report Without Human Feedback
As artificial intelligence (AI) becomes increasingly central to healthcare, the demand for explainable and trustworthy models is paramount. Current report generation systems for chest X-rays (CXR) often lack mechanisms for validating outputs without expert oversight, raising concerns about reliability and interpretability. To address these challenges, we propose a novel multimodal framework designed to enhance the semantic alignment and localization accuracy of AI-generated medical reports. Our framework integrates two key modules: a Phrase Grounding Model, which identifies and localizes pathologies in CXR images based on textual prompts, and a Text-to-Image Diffusion Module, which generates synthetic CXR images from prompts while preserving anatomical fidelity. By comparing features between the original and generated images, we introduce a dual-scoring system: one score quantifies localization accuracy, while the other evaluates semantic consistency. This approach significantly outperforms existing methods, achieving state-of-the-art results in pathology localization and text-to-image alignment. The integration of phrase grounding with diffusion models, coupled with the dual-scoring evaluation system, provides a robust mechanism for validating report quality, paving the way for more trustworthy and transparent AI in medical imaging.
♻ ☆ Confucius3-Math: A Lightweight High-Performance Reasoning LLM for Chinese K-12 Mathematics Learning
We introduce Confucius3-Math, an open-source large language model with 14B parameters that (1) runs efficiently on a single consumer-grade GPU; (2) achieves SOTA performances on a range of mathematical reasoning tasks, outperforming many models with significantly larger sizes. In particular, as part of our mission to enhancing education and knowledge dissemination with AI, Confucius3-Math is specifically committed to mathematics learning for Chinese K-12 students and educators. Built via post-training with large-scale reinforcement learning (RL), Confucius3-Math aligns with national curriculum and excels at solving main-stream Chinese K-12 mathematical problems with low cost. In this report we share our development recipe, the challenges we encounter and the techniques we develop to overcome them. In particular, we introduce three technical innovations: Targeted Entropy Regularization, Recent Sample Recovery and Policy-Specific Hardness Weighting. These innovations encompass a new entropy regularization, a novel data scheduling policy, and an improved group-relative advantage estimator. Collectively, they significantly stabilize the RL training, improve data efficiency, and boost performance. Our work demonstrates the feasibility of building strong reasoning models in a particular domain at low cost. We open-source our model and code at https://github.com/netease-youdao/Confucius3-Math.
♻ ☆ VAQUUM: Are Vague Quantifiers Grounded in Visual Data? ACL 2025
Vague quantifiers such as "a few" and "many" are influenced by various contextual factors, including the number of objects present in a given context. In this work, we evaluate the extent to which vision-and-language models (VLMs) are compatible with humans when producing or judging the appropriateness of vague quantifiers in visual contexts. We release a novel dataset, VAQUUM, containing 20,300 human ratings on quantified statements across a total of 1089 images. Using this dataset, we compare human judgments and VLM predictions using three different evaluation methods. Our findings show that VLMs, like humans, are influenced by object counts in vague quantifier use. However, we find significant inconsistencies across models in different evaluation settings, suggesting that judging and producing vague quantifiers rely on two different processes.
comment: Proceedings of ACL 2025, 10 pages
♻ ☆ Balancing Truthfulness and Informativeness with Uncertainty-Aware Instruction Fine-Tuning
Instruction fine-tuning (IFT) can increase the informativeness of large language models (LLMs), but may reduce their truthfulness. This trade-off arises because IFT steers LLMs to generate responses containing long-tail knowledge that was not well covered during pre-training. As a result, models become more informative but less accurate when generalizing to unseen tasks. In this paper, we empirically demonstrate how unfamiliar knowledge in IFT datasets can negatively affect the truthfulness of LLMs, and we introduce two new IFT paradigms, $UNIT_{cut}$ and $UNIT_{ref}$, to address this issue. $UNIT_{cut}$ identifies and removes unfamiliar knowledge from IFT datasets to mitigate its impact on model truthfulness, whereas $UNIT_{ref}$ trains LLMs to recognize their uncertainty and explicitly indicate it at the end of their responses. Our experiments show that $UNIT_{cut}$ substantially improves LLM truthfulness, while $UNIT_{ref}$ maintains high informativeness and reduces hallucinations by distinguishing between confident and uncertain statements.
♻ ☆ LR^2Bench: Evaluating Long-chain Reflective Reasoning Capabilities of Large Language Models via Constraint Satisfaction Problems ACL-2025
Recent progress in Large Reasoning Models (LRMs) has significantly enhanced the reasoning abilities of Large Language Models (LLMs), empowering them to tackle increasingly complex tasks through reflection capabilities, such as making assumptions, backtracking, and self-refinement. However, effectively evaluating such reflection capabilities remains challenging due to the lack of appropriate benchmarks. To bridge this gap, we introduce LR$^2$Bench, a novel benchmark designed to evaluate the Long-chain Reflective Reasoning capabilities of LLMs. LR$^2$Bench comprises 850 samples across six Constraint Satisfaction Problems (CSPs) where reflective reasoning is crucial for deriving solutions that meet all given constraints. Each type of task focuses on distinct constraint patterns, such as knowledge-based, logical, and spatial constraints, providing a comprehensive evaluation of diverse problem-solving scenarios. Our extensive evaluation on both conventional LLMs and LRMs reveals that even the most advanced LRMs, such as DeepSeek-R1 and OpenAI o1-preview, struggle with tasks in LR$^2$Bench, achieving an average Exact Match score of only 20.0% and 23.6%, respectively. These findings underscore the significant room for improvement in the reflective reasoning capabilities of current LLMs.
comment: ACL-2025, our code is available at https://github.com/ZNLP/LR2Bench
♻ ☆ LADM: Long-context Training Data Selection with Attention-based Dependency Measurement for LLMs ACL 2025
Long-context modeling has drawn more and more attention in the area of Large Language Models (LLMs). Continual training with long-context data becomes the de-facto method to equip LLMs with the ability to process long inputs. However, it still remains an open challenge to measure the quality of long-context training data. To address this issue, we propose a Long-context data selection framework with Attention-based Dependency Measurement (LADM), which can efficiently identify high-quality long-context data from a large-scale, multi-domain pre-training corpus. LADM leverages the retrieval capabilities of the attention mechanism to capture contextual dependencies, ensuring a comprehensive quality measurement of long-context data. Experimental results show that our LADM framework significantly boosts the performance of LLMs on multiple long-context tasks with only 1B tokens for continual training.
comment: ACL 2025, our code is available at https://github.com/ZNLP/LADM
♻ ☆ LLaVA-CMoE: Towards Continual Mixture of Experts for Large Vision-Language Models
Mixture of Experts (MoE) architectures have recently advanced the scalability and adaptability of large language models (LLMs) for continual multimodal learning. However, efficiently extending these models to accommodate sequential tasks remains challenging. As new tasks arrive, naive model expansion leads to rapid parameter growth, while modifying shared routing components often causes catastrophic forgetting, undermining previously learned knowledge. To address these issues, we propose LLaVA-CMoE, a continual learning framework for LLMs that requires no replay data of previous tasks and ensures both parameter efficiency and robust knowledge retention. Our approach introduces a Probe-Guided Knowledge Extension mechanism, which uses probe experts to dynamically determine when and where new experts should be added, enabling adaptive and minimal parameter expansion tailored to task complexity. Furthermore, we present a Probabilistic Task Locator that assigns each task a dedicated, lightweight router. To handle the practical issue that task labels are unknown during inference, we leverage a VAE-based reconstruction strategy to identify the most suitable router by matching input distributions, allowing automatic and accurate expert allocation. This design mitigates routing conflicts and catastrophic forgetting, enabling robust continual learning without explicit task labels. Extensive experiments on the CoIN benchmark, covering eight diverse VQA tasks, demonstrate that LLaVA-CMoE delivers strong continual learning performance with a compact model size, significantly reducing forgetting and parameter overhead compared to prior methods. These results showcase the effectiveness and scalability of our approach for parameter-efficient continual learning in large language models. Our code will be open-sourced soon.
comment: Preprint
♻ ☆ Conversational User-AI Intervention: A Study on Prompt Rewriting for Improved LLM Response Generation ACL
Human-LLM conversations are increasingly becoming more pervasive in peoples' professional and personal lives, yet many users still struggle to elicit helpful responses from LLM Chatbots. One of the reasons for this issue is users' lack of understanding in crafting effective prompts that accurately convey their information needs. Meanwhile, the existence of real-world conversational datasets on the one hand, and the text understanding faculties of LLMs on the other, present a unique opportunity to study this problem, and its potential solutions at scale. Thus, in this paper we present the first LLM-centric study of real human-AI chatbot conversations, focused on investigating aspects in which user queries fall short of expressing information needs, and the potential of using LLMs to rewrite suboptimal user prompts. Our findings demonstrate that rephrasing ineffective prompts can elicit better responses from a conversational system, while preserving the user's original intent. Notably, the performance of rewrites improves in longer conversations, where contextual inferences about user needs can be made more accurately. Additionally, we observe that LLMs often need to -- and inherently do -- make \emph{plausible} assumptions about a user's intentions and goals when interpreting prompts. Our findings largely hold true across conversational domains, user intents, and LLMs of varying sizes and families, indicating the promise of using prompt rewriting as a solution for better human-AI interactions.
comment: 8 pages, ACL style
♻ ☆ Rewarding Graph Reasoning Process makes LLMs more Generalized Reasoners KDD 2025
Despite significant advancements in Large Language Models (LLMs), developing advanced reasoning capabilities in LLMs remains a key challenge. Process Reward Models (PRMs) have demonstrated exceptional promise in enhancing reasoning by providing step-wise feedback, particularly in the context of mathematical reasoning. However, their application to broader reasoning domains remains understudied, largely due to the high costs associated with manually creating step-level supervision. In this work, we explore the potential of PRMs in graph reasoning problems - a domain that demands sophisticated multi-step reasoning and offers opportunities for automated step-level data generation using established graph algorithms. We introduce GraphSILO, the largest dataset for graph reasoning problems with fine-grained step-wise labels, built using automated Task-oriented Trajectories and Monte Carlo Tree Search (MCTS) to generate detailed reasoning steps with step-wise labels. Building upon this dataset, we train GraphPRM, the first PRM designed for graph reasoning problems, and evaluate its effectiveness in two key settings: inference-time scaling and reinforcement learning via Direct Preference Optimization (DPO). Experimental results show that GraphPRM significantly improves LLM performance across 13 graph reasoning tasks, delivering a 9% gain for Qwen2.5-7B and demonstrating transferability to new graph reasoning datasets and new reasoning domains like mathematical problem-solving. Notably, GraphPRM enhances LLM performance on GSM8K and Math500, underscoring the cross-domain applicability of graph-based reasoning rewards. Our findings highlight the potential of PRMs in advancing reasoning across diverse domains, paving the way for more versatile and effective LLMs.
comment: Accepted to KDD 2025 Research Track
♻ ☆ A Global Context Mechanism for Sequence Labeling
Global sentence information is crucial for sequence labeling tasks, where each word in a sentence must be assigned a label. While BiLSTM models are widely used, they often fail to capture sufficient global context for inner words. Previous work has proposed various RNN variants to integrate global sentence information into word representations. However, these approaches suffer from three key limitations: (1) they are slower in both inference and training compared to the original BiLSTM, (2) they cannot effectively supplement global information for transformer-based models, and (3) the high time cost associated with reimplementing and integrating these customized RNNs into existing architectures. In this study, we introduce a simple yet effective mechanism that addresses these limitations. Our approach efficiently supplements global sentence information for both BiLSTM and transformer-based models, with minimal degradation in inference and training speed, and is easily pluggable into current architectures. We demonstrate significant improvements in F1 scores across seven popular benchmarks, including Named Entity Recognition (NER) tasks such as Conll2003, Wnut2017 , and the Chinese named-entity recognition task Weibo, as well as End-to-End Aspect-Based Sentiment Analysis (E2E-ABSA) benchmarks such as Laptop14, Restaurant14, Restaurant15, and Restaurant16. With out any extra strategy, we achieve third highest score on weibo NER benchmark. Compared to CRF, one of the most popular frameworks for sequence labeling, our mechanism achieves competitive F1 scores while offering superior inference and training speed. Code is available at: https://github.com/conglei2XU/Global-Context-Mechanism
♻ ☆ What Matters in LLM-generated Data: Diversity and Its Effect on Model Fine-Tuning
With the remarkable generative capabilities of large language models (LLMs), using LLM-generated data to train downstream models has emerged as a promising approach to mitigate data scarcity in specific domains and reduce time-consuming annotations. However, recent studies have highlighted a critical issue: iterative training on self-generated data results in model collapse, where model performance degrades over time. Despite extensive research on the implications of LLM-generated data, these works often neglect the importance of data diversity, a key factor in data quality. In this work, we aim to understand the implications of the diversity of LLM-generated data on downstream model performance. Specifically, we explore how varying levels of diversity in LLM-generated data affect downstream model performance. Additionally, we investigate the performance of models trained on data that mixes different proportions of LLM-generated data, which we refer to as synthetic data. Our experimental results show that, with minimal distribution shift, moderately diverse LLM-generated data can enhance model performance in scenarios with insufficient labeled data, whereas highly diverse generated data has a negative impact. We hope our empirical findings will offer valuable guidance for future studies on LLMs as data generators.
comment: Ongoing work
♻ ☆ A Comprehensive Evaluation of Semantic Relation Knowledge of Pretrained Language Models and Humans
Recently, much work has concerned itself with the enigma of what exactly PLMs (pretrained language models) learn about different aspects of language, and how they learn it. One stream of this type of research investigates the knowledge that PLMs have about semantic relations. However, many aspects of semantic relations were left unexplored. Only one relation was considered, namely hypernymy. Furthermore, previous work did not measure humans' performance on the same task as that solved by the PLMs. This means that at this point in time, there is only an incomplete view of models' semantic relation knowledge. To address this gap, we introduce a comprehensive evaluation framework covering five relations beyond hypernymy, namely hyponymy, holonymy, meronymy, antonymy, and synonymy. We use six metrics (two newly introduced here) for recently untreated aspects of semantic relation knowledge, namely soundness, completeness, symmetry, asymmetry, prototypicality, and distinguishability and fairly compare humans and models on the same task. Our extensive experiments involve 16 PLMs, eight masked and eight causal language models. Up to now only masked language models had been tested although causal and masked language models treat context differently. Our results reveal a significant knowledge gap between humans and models for almost all semantic relations. Antonymy is the outlier relation where all models perform reasonably well. In general, masked language models perform significantly better than causal language models. Nonetheless, both masked and causal language models are likely to confuse non-antonymy relations with antonymy.
comment: Accpeted by Language Resources and Evaluation
♻ ☆ Misalignment of Semantic Relation Knowledge between WordNet and Human Intuition
WordNet provides a carefully constructed repository of semantic relations, created by specialists. But there is another source of information on semantic relations, the intuition of language users. We present the first systematic study of the degree to which these two sources are aligned. Investigating the cases of misalignment could make proper use of WordNet and facilitate its improvement. Our analysis which uses templates to elicit responses from human participants, reveals a general misalignment of semantic relation knowledge between WordNet and human intuition. Further analyses find a systematic pattern of mismatch among synonymy and taxonomic relations~(hypernymy and hyponymy), together with the fact that WordNet path length does not serve as a reliable indicator of human intuition regarding hypernymy or hyponymy relations.
comment: Accepted by Global WordNet Conference 2025
♻ ☆ PP-DocBee2: Improved Baselines with Efficient Data for Multimodal Document Understanding
This report introduces PP-DocBee2, an advanced version of the PP-DocBee, designed to enhance multimodal document understanding. Built on a large multimodal model architecture, PP-DocBee2 addresses the limitations of its predecessor through key technological improvements, including enhanced synthetic data quality, improved visual feature fusion strategy, and optimized inference methodologies. These enhancements yield an $11.4\%$ performance boost on internal benchmarks for Chinese business documents, and reduce inference latency by $73.0\%$ to the vanilla version. A key innovation of our work is a data quality optimization strategy for multimodal document tasks. By employing a large-scale multimodal pre-trained model to evaluate data, we apply a novel statistical criterion to filter outliers, ensuring high-quality training data. Inspired by insights into underutilized intermediate features in multimodal models, we enhance the ViT representational capacity by decomposing it into layers and applying a novel feature fusion strategy to improve complex reasoning. The source code and pre-trained model are available at \href{https://github.com/PaddlePaddle/PaddleMIX}{https://github.com/PaddlePaddle/PaddleMIX}.
♻ ☆ Understanding World or Predicting Future? A Comprehensive Survey of World Models
The concept of world models has garnered significant attention due to advancements in multimodal large language models such as GPT-4 and video generation models such as Sora, which are central to the pursuit of artificial general intelligence. This survey offers a comprehensive review of the literature on world models. Generally, world models are regarded as tools for either understanding the present state of the world or predicting its future dynamics. This review presents a systematic categorization of world models, emphasizing two primary functions: (1) constructing internal representations to understand the mechanisms of the world, and (2) predicting future states to simulate and guide decision-making. Initially, we examine the current progress in these two categories. We then explore the application of world models in key domains, including autonomous driving, robotics, and social simulacra, with a focus on how each domain utilizes these aspects. Finally, we outline key challenges and provide insights into potential future research directions. We summarize the representative papers along with their code repositories in https://github.com/tsinghua-fib-lab/World-Model.
comment: Accepted by ACM CSUR, 37 pages, 7 figures, 7 tables
♻ ☆ Attention Entropy is a Key Factor: An Analysis of Parallel Context Encoding with Full-attention-based Pre-trained Language Models ACL 2025
Large language models have shown remarkable performance across a wide range of language tasks, owing to their exceptional capabilities in context modeling. The most commonly used method of context modeling is full self-attention, as seen in standard decoder-only Transformers. Although powerful, this method can be inefficient for long sequences and may overlook inherent input structures. To address these problems, an alternative approach is parallel context encoding, which splits the context into sub-pieces and encodes them parallelly. Because parallel patterns are not encountered during training, naively applying parallel encoding leads to performance degradation. However, the underlying reasons and potential mitigations are unclear. In this work, we provide a detailed analysis of this issue and identify that unusually high attention entropy can be a key factor. Furthermore, we adopt two straightforward methods to reduce attention entropy by incorporating attention sinks and selective mechanisms. Experiments on various tasks reveal that these methods effectively lower irregular attention entropy and narrow performance gaps. We hope this study can illuminate ways to enhance context modeling mechanisms.
comment: ACL 2025
♻ ☆ Therapy as an NLP Task: Psychologists' Comparison of LLMs and Human Peers in CBT
Large language models (LLMs) are being used as ad-hoc therapists. Research suggests that LLMs outperform human counselors when generating a single, isolated empathetic response; however, their session-level behavior remains understudied. In this study, we compare the session-level behaviors of human counselors with those of an LLM prompted by a team of peer counselors to deliver single-session Cognitive Behavioral Therapy (CBT). Our three-stage, mixed-methods study involved: a) a year-long ethnography of a text-based support platform where seven counselors iteratively refined CBT prompts through self-counseling and weekly focus groups; b) the manual simulation of human counselor sessions with a CBT-prompted LLM, given the full patient dialogue and contextual notes; and c) session evaluations of both human and LLM sessions by three licensed clinical psychologists using CBT competence measures. Our results show a clear trade-off. Human counselors excel at relational strategies -- small talk, self-disclosure, and culturally situated language -- that lead to higher empathy, collaboration, and deeper user reflection. LLM counselors demonstrate higher procedural adherence to CBT techniques but struggle to sustain collaboration, misread cultural cues, and sometimes produce "deceptive empathy," i.e., formulaic warmth that can inflate users' expectations of genuine human care. Taken together, our findings imply that while LLMs might outperform counselors in generating single empathetic responses, their ability to lead sessions is more limited, highlighting that therapy cannot be reduced to a standalone natural language processing (NLP) task. We call for carefully designed human-AI workflows in scalable support: LLMs can scaffold evidence-based techniques, while peers provide relational support. We conclude by mapping concrete design opportunities and ethical guardrails for such hybrid systems.
♻ ☆ Quantifying Fairness in LLMs Beyond Tokens: A Semantic and Statistical Perspective
Large Language Models (LLMs) often generate responses with inherent biases, undermining their reliability in real-world applications. Existing evaluation methods often overlook biases in long-form responses and the intrinsic variability of LLM outputs. To address these challenges, we propose FiSCo(Fine-grained Semantic Computation), a novel statistical framework to evaluate group-level fairness in LLMs by detecting subtle semantic differences in long-form responses across demographic groups. Unlike prior work focusing on sentiment or token-level comparisons, FiSCo goes beyond surface-level analysis by operating at the claim level, leveraging entailment checks to assess the consistency of meaning across responses. We decompose model outputs into semantically distinct claims and apply statistical hypothesis testing to compare inter- and intra-group similarities, enabling robust detection of subtle biases. We formalize a new group counterfactual fairness definition and validate FiSCo on both synthetic and human-annotated datasets spanning gender, race, and age. Experiments show that FiSco more reliably identifies nuanced biases while reducing the impact of stochastic LLM variability, outperforming various evaluation metrics.
comment: 29 pages, 9 figures, 15 tables
♻ ☆ mSTEB: Massively Multilingual Evaluation of LLMs on Speech and Text Tasks
Large Language models (LLMs) have demonstrated impressive performance on a wide range of tasks, including in multimodal settings such as speech. However, their evaluation is often limited to English and a few high-resource languages. For low-resource languages, there is no standardized evaluation benchmark. In this paper, we address this gap by introducing mSTEB, a new benchmark to evaluate the performance of LLMs on a wide range of tasks covering language identification, text classification, question answering, and translation tasks on both speech and text modalities. We evaluated the performance of leading LLMs such as Gemini 2.0 Flash and GPT-4o (Audio) and state-of-the-art open models such as Qwen 2 Audio and Gemma 3 27B. Our evaluation shows a wide gap in performance between high-resource and low-resource languages, especially for languages spoken in Africa and Americas/Oceania. Our findings show that more investment is needed to address their under-representation in LLMs coverage.
comment: working paper
♻ ☆ Computation Mechanism Behind LLM Position Generalization ACL 2025
Most written natural languages are composed of sequences of words and sentences. Similar to humans, large language models (LLMs) exhibit flexibility in handling textual positions - a phenomenon we term position generalization. They can understand texts with position perturbations and generalize to longer texts than those encountered during training with the latest techniques. These phenomena suggest that LLMs handle positions tolerantly, but how LLMs computationally process positional relevance remains largely unexplored. This work connects the linguistic phenomenon with LLMs' computational mechanisms. We show how LLMs enforce certain computational mechanisms for the aforementioned tolerance in position perturbations. Despite the complex design of the self-attention mechanism, this work reveals that LLMs learn a counterintuitive disentanglement of attention logits. Their values show a 0.959 linear correlation with an approximation of the arithmetic sum of positional relevance and semantic importance. Furthermore, we identify a prevalent pattern in intermediate features, which we prove theoretically enables this effect. The pattern, which is different from how randomly initialized parameters would behave, suggests that it is a learned behavior rather than a natural result of the model architecture. Based on these findings, we provide computational explanations and criteria for LLMs' position flexibilities. This work takes a pioneering step in linking position generalization with modern LLMs' internal mechanisms.
comment: ACL 2025 Main Long Paper
♻ ☆ Thought Anchors: Which LLM Reasoning Steps Matter?
Reasoning large language models have recently achieved state-of-the-art performance in many fields. However, their long-form chain-of-thought reasoning creates interpretability challenges as each generated token depends on all previous ones, making the computation harder to decompose. We argue that analyzing reasoning traces at the sentence level is a promising approach to understanding reasoning processes. We present three complementary attribution methods: (1) a black-box method measuring each sentence's counterfactual importance by comparing final answers across 100 rollouts conditioned on the model generating that sentence or one with a different meaning; (2) a white-box method of aggregating attention patterns between pairs of sentences, which identified "broadcasting" sentences that receive disproportionate attention from all future sentences via "receiver" attention heads; (3) a causal attribution method measuring logical connections between sentences by suppressing attention toward one sentence and measuring the effect on each future sentence's tokens. Each method provides evidence for the existence of thought anchors, reasoning steps that have outsized importance and that disproportionately influence the subsequent reasoning process. These thought anchors are typically planning or backtracking sentences. We provide an open-source tool (www.thought-anchors.com) for visualizing the outputs of our methods, and present a case study showing converging patterns across methods that map how a model performs multi-step reasoning. The consistency across methods demonstrates the potential of sentence-level analysis for a deeper understanding of reasoning models.
comment: Paul C. Bogdan and Uzay Macar contributed equally to this work, and their listed order was determined by coinflip. Neel Nanda and Arthur Conmy contributed equally to this work as senior authors, and their listed order was determined by coinflip
♻ ☆ Exploring Big Five Personality and AI Capability Effects in LLM-Simulated Negotiation Dialogues KDD 2025
This paper presents an evaluation framework for agentic AI systems in mission-critical negotiation contexts, addressing the need for AI agents that can adapt to diverse human operators and stakeholders. Using Sotopia as a simulation testbed, we present two experiments that systematically evaluated how personality traits and AI agent characteristics influence LLM-simulated social negotiation outcomes--a capability essential for a variety of applications involving cross-team coordination and civil-military interactions. Experiment 1 employs causal discovery methods to measure how personality traits impact price bargaining negotiations, through which we found that Agreeableness and Extraversion significantly affect believability, goal achievement, and knowledge acquisition outcomes. Sociocognitive lexical measures extracted from team communications detected fine-grained differences in agents' empathic communication, moral foundations, and opinion patterns, providing actionable insights for agentic AI systems that must operate reliably in high-stakes operational scenarios. Experiment 2 evaluates human-AI job negotiations by manipulating both simulated human personality and AI system characteristics, specifically transparency, competence, adaptability, demonstrating how AI agent trustworthiness impact mission effectiveness. These findings establish a repeatable evaluation methodology for experimenting with AI agent reliability across diverse operator personalities and human-agent team dynamics, directly supporting operational requirements for reliable AI systems. Our work advances the evaluation of agentic AI workflows by moving beyond standard performance metrics to incorporate social dynamics essential for mission success in complex operations.
comment: Under review for KDD 2025 Workshop on Evaluation and Trustworthiness of Agentic and Generative AI Models
♻ ☆ GroundCap: A Visually Grounded Image Captioning Dataset
Current image captioning systems lack the ability to link descriptive text to specific visual elements, making their outputs difficult to verify. While recent approaches offer some grounding capabilities, they cannot track object identities across multiple references or ground both actions and objects simultaneously. We propose a novel ID-based grounding system that enables consistent object reference tracking and action-object linking. We present GroundCap, a dataset containing 52,016 images from 77 movies, with 344 human-annotated and 52,016 automatically generated captions. Each caption is grounded on detected objects (132 classes) and actions (51 classes) using a tag system that maintains object identity while linking actions to the corresponding objects. Our approach features persistent object IDs for reference tracking, explicit action-object linking, and the segmentation of background elements through K-means clustering. We propose gMETEOR, a metric combining caption quality with grounding accuracy, and establish baseline performance by fine-tuning Pixtral-12B and Qwen2.5-VL 7B on GroundCap. Human evaluation demonstrates our approach's effectiveness in producing verifiable descriptions with coherent object references.
comment: 37 pages
♻ ☆ A3 : an Analytical Low-Rank Approximation Framework for Attention
Large language models have demonstrated remarkable performance; however, their massive parameter counts make deployment highly expensive. Low-rank approximation offers a promising compression solution, yet existing approaches have two main limitations: (1) They focus on minimizing the output error of individual linear layers, without considering the architectural characteristics of Transformers, and (2) they decompose a large weight matrix into two small low-rank matrices. Consequently, these methods often fall short compared to other compression techniques like pruning and quantization, and introduce runtime overhead such as the extra GEMM kernel launches for decomposed small matrices. To address these limitations, we propose $\tt A^\tt 3$, a post-training low-rank approximation framework. $\tt A^\tt 3$ splits a Transformer layer into three functional components, namely $\tt QK$, $\tt OV$, and $\tt MLP$. For each component, $\tt A^\tt 3$ provides an analytical solution that reduces the hidden dimension size inside each component while minimizing the component's functional loss ($\it i.e.$, error in attention scores, attention outputs, and MLP outputs). This approach directly reduces model sizes, KV cache sizes, and FLOPs without introducing any runtime overheads. In addition, it provides a new narrative in advancing the optimization problem from singular linear layer loss optimization toward improved end-to-end performance. Through extensive experiments, we show that $\tt A^\tt 3$ maintains superior performance compared to SoTAs. For example, under the same reduction budget in computation and memory, our low-rank approximated LLaMA 3.1-70B achieves a perplexity of 4.69 on WikiText-2, outperforming the previous SoTA's 7.87 by 3.18. We also demonstrate the versatility of $\tt A^\tt 3$, including KV cache compression, quantization, and mixed-rank assignments for enhanced performance.
♻ ☆ Privacy Ripple Effects from Adding or Removing Personal Information in Language Model Training
Due to the sensitive nature of personally identifiable information (PII), its owners may have the authority to control its inclusion or request its removal from large-language model (LLM) training. Beyond this, PII may be added or removed from training datasets due to evolving dataset curation techniques, because they were newly scraped for retraining, or because they were included in a new downstream fine-tuning stage. We find that the amount and ease of PII memorization is a dynamic property of a model that evolves throughout training pipelines and depends on commonly altered design choices. We characterize three such novel phenomena: (1) similar-appearing PII seen later in training can elicit memorization of earlier-seen sequences in what we call assisted memorization, and this is a significant factor (in our settings, up to 1/3); (2) adding PII can increase memorization of other PII significantly (in our settings, as much as $\approx\!7.5\times$); and (3) removing PII can lead to other PII being memorized. Model creators should consider these first- and second-order privacy risks when training models to avoid the risk of new PII regurgitation.
comment: Accepted at the Findings of the Association for Computational Linguistics (2025)
♻ ☆ CodeLutra: Boosting LLM Code Generation via Preference-Guided Refinement
Large Language Models (LLMs) have revolutionized code generation but require significant resources and often over-generalize, limiting their task-specific efficiency. Fine-tuning smaller, open-source LLMs provides a cost-effective alternative. However, standard supervised approaches rely only on correct examples, missing valuable insights from failures. We introduce CodeLutra, a framework that leverages both correct and incorrect code attempts. Instead of using only correct solutions, CodeLutra applies iterative preference-based refinement, comparing successful and failed outputs to better approximate desired results. This approach narrows the performance gap with state-of-the-art larger models without requiring massive datasets or auxiliary models. For instance, on a challenging data science coding task, using only 500 samples improved Llama-3-8B's accuracy from 28.2% to 48.6%, approaching GPT-4's level. By learning from both successes and mistakes, CodeLutra provides a scalable and efficient path to high-quality code generation, making smaller open-source models more competitive with leading closed-source alternatives.
comment: TMLR 2025
Computer Vision and Pattern Recognition 100
☆ IPFormer: Visual 3D Panoptic Scene Completion with Context-Adaptive Instance Proposals
Semantic Scene Completion (SSC) has emerged as a pivotal approach for jointly learning scene geometry and semantics, enabling downstream applications such as navigation in mobile robotics. The recent generalization to Panoptic Scene Completion (PSC) advances the SSC domain by integrating instance-level information, thereby enhancing object-level sensitivity in scene understanding. While PSC was introduced using LiDAR modality, methods based on camera images remain largely unexplored. Moreover, recent Transformer-based SSC approaches utilize a fixed set of learned queries to reconstruct objects within the scene volume. Although these queries are typically updated with image context during training, they remain static at test time, limiting their ability to dynamically adapt specifically to the observed scene. To overcome these limitations, we propose IPFormer, the first approach that leverages context-adaptive instance proposals at train and test time to address vision-based 3D Panoptic Scene Completion. Specifically, IPFormer adaptively initializes these queries as panoptic instance proposals derived from image context and further refines them through attention-based encoding and decoding to reason about semantic instance-voxel relationships. Experimental results show that our approach surpasses state-of-the-art methods in overall panoptic metrics PQ$^\dagger$ and PQ-All, matches performance in individual metrics, and achieves a runtime reduction exceeding 14$\times$. Furthermore, our ablation studies reveal that dynamically deriving instance proposals from image context, as opposed to random initialization, leads to a 3.62% increase in PQ-All and a remarkable average improvement of 18.65% in combined Thing-metrics. These results highlight our introduction of context-adaptive instance proposals as a pioneering effort in addressing vision-based 3D Panoptic Scene Completion.
☆ MMSearch-R1: Incentivizing LMMs to Search
Robust deployment of large multimodal models (LMMs) in real-world scenarios requires access to external knowledge sources, given the complexity and dynamic nature of real-world information. Existing approaches such as retrieval-augmented generation (RAG) and prompt engineered search agents rely on rigid pipelines, often leading to inefficient or excessive search behaviors. We present MMSearch-R1, the first end-to-end reinforcement learning framework that enables LMMs to perform on-demand, multi-turn search in real-world Internet environments. Our framework integrates both image and text search tools, allowing the model to reason about when and how to invoke them guided by an outcome-based reward with a search penalty. To support training, We collect a multimodal search VQA dataset through a semi-automated pipeline that covers diverse visual and textual knowledge needs and curate a search-balanced subset with both search-required and search-free samples, which proves essential for shaping efficient and on-demand search behavior. Extensive experiments on knowledge-intensive and info-seeking VQA tasks show that our model not only outperforms RAG-based baselines of the same model size, but also matches the performance of a larger RAG-based model while reducing search calls by over 30%. We further analyze key empirical findings to offer actionable insights for advancing research in multimodal search.
comment: Code: https://github.com/EvolvingLMMs-Lab/multimodal-search-r1
☆ EditP23: 3D Editing via Propagation of Image Prompts to Multi-View
We present EditP23, a method for mask-free 3D editing that propagates 2D image edits to multi-view representations in a 3D-consistent manner. In contrast to traditional approaches that rely on text-based prompting or explicit spatial masks, EditP23 enables intuitive edits by conditioning on a pair of images: an original view and its user-edited counterpart. These image prompts are used to guide an edit-aware flow in the latent space of a pre-trained multi-view diffusion model, allowing the edit to be coherently propagated across views. Our method operates in a feed-forward manner, without optimization, and preserves the identity of the original object, in both structure and appearance. We demonstrate its effectiveness across a range of object categories and editing scenarios, achieving high fidelity to the source while requiring no manual masks.
comment: Code, supplementary videos, interactive 3D visualizations, and additional results are available at https://editp23.github.io/
☆ Disentangled representations of microscopy images
Microscopy image analysis is fundamental for different applications, from diagnosis to synthetic engineering and environmental monitoring. Modern acquisition systems have granted the possibility to acquire an escalating amount of images, requiring a consequent development of a large collection of deep learning-based automatic image analysis methods. Although deep neural networks have demonstrated great performance in this field, interpretability, an essential requirement for microscopy image analysis, remains an open challenge. This work proposes a Disentangled Representation Learning (DRL) methodology to enhance model interpretability for microscopy image classification. Exploiting benchmark datasets from three different microscopic image domains (plankton, yeast vacuoles, and human cells), we show how a DRL framework, based on transferring a representation learnt from synthetic data, can provide a good trade-off between accuracy and interpretability in this domain.
comment: Published in: International Joint Conference on Neural Networks (IJCNN 2025). Project page: https://github.com/JacopoDapueto/disentangled_microscopy
☆ Joint attitude estimation and 3D neural reconstruction of non-cooperative space objects CVPR 2025
Obtaining a better knowledge of the current state and behavior of objects orbiting Earth has proven to be essential for a range of applications such as active debris removal, in-orbit maintenance, or anomaly detection. 3D models represent a valuable source of information in the field of Space Situational Awareness (SSA). In this work, we leveraged Neural Radiance Fields (NeRF) to perform 3D reconstruction of non-cooperative space objects from simulated images. This scenario is challenging for NeRF models due to unusual camera characteristics and environmental conditions : mono-chromatic images, unknown object orientation, limited viewing angles, absence of diffuse lighting etc. In this work we focus primarly on the joint optimization of camera poses alongside the NeRF. Our experimental results show that the most accurate 3D reconstruction is achieved when training with successive images one-by-one. We estimate camera poses by optimizing an uniform rotation and use regularization to prevent successive poses from being too far apart.
comment: accepted for CVPR 2025 NFBCC workshop
☆ Shape2Animal: Creative Animal Generation from Natural Silhouettes
Humans possess a unique ability to perceive meaningful patterns in ambiguous stimuli, a cognitive phenomenon known as pareidolia. This paper introduces Shape2Animal framework to mimics this imaginative capacity by reinterpreting natural object silhouettes, such as clouds, stones, or flames, as plausible animal forms. Our automated framework first performs open-vocabulary segmentation to extract object silhouette and interprets semantically appropriate animal concepts using vision-language models. It then synthesizes an animal image that conforms to the input shape, leveraging text-to-image diffusion model and seamlessly blends it into the original scene to generate visually coherent and spatially consistent compositions. We evaluated Shape2Animal on a diverse set of real-world inputs, demonstrating its robustness and creative potential. Our Shape2Animal can offer new opportunities for visual storytelling, educational content, digital art, and interactive media design. Our project page is here: https://shape2image.github.io
☆ Weighted Mean Frequencies: a handcraft Fourier feature for 4D Flow MRI segmentation
In recent decades, the use of 4D Flow MRI images has enabled the quantification of velocity fields within a volume of interest and along the cardiac cycle. However, the lack of resolution and the presence of noise in these biomarkers are significant issues. As indicated by recent studies, it appears that biomarkers such as wall shear stress are particularly impacted by the poor resolution of vessel segmentation. The Phase Contrast Magnetic Resonance Angiography (PC-MRA) is the state-of-the-art method to facilitate segmentation. The objective of this work is to introduce a new handcraft feature that provides a novel visualisation of 4D Flow MRI images, which is useful in the segmentation task. This feature, termed Weighted Mean Frequencies (WMF), is capable of revealing the region in three dimensions where a voxel has been passed by pulsatile flow. Indeed, this feature is representative of the hull of all pulsatile velocity voxels. The value of the feature under discussion is illustrated by two experiments. The experiments involved segmenting 4D Flow MRI images using optimal thresholding and deep learning methods. The results obtained demonstrate a substantial enhancement in terms of IoU and Dice, with a respective increase of 0.12 and 0.13 in comparison with the PC-MRA feature, as evidenced by the deep learning task. This feature has the potential to yield valuable insights that could inform future segmentation processes in other vascular regions, such as the heart or the brain.
☆ Video Perception Models for 3D Scene Synthesis
Traditionally, 3D scene synthesis requires expert knowledge and significant manual effort. Automating this process could greatly benefit fields such as architectural design, robotics simulation, virtual reality, and gaming. Recent approaches to 3D scene synthesis often rely on the commonsense reasoning of large language models (LLMs) or strong visual priors of modern image generation models. However, current LLMs demonstrate limited 3D spatial reasoning ability, which restricts their ability to generate realistic and coherent 3D scenes. Meanwhile, image generation-based methods often suffer from constraints in viewpoint selection and multi-view inconsistencies. In this work, we present Video Perception models for 3D Scene synthesis (VIPScene), a novel framework that exploits the encoded commonsense knowledge of the 3D physical world in video generation models to ensure coherent scene layouts and consistent object placements across views. VIPScene accepts both text and image prompts and seamlessly integrates video generation, feedforward 3D reconstruction, and open-vocabulary perception models to semantically and geometrically analyze each object in a scene. This enables flexible scene synthesis with high realism and structural consistency. For more precise analysis, we further introduce First-Person View Score (FPVScore) for coherence and plausibility evaluation, utilizing continuous first-person perspective to capitalize on the reasoning ability of multimodal large language models. Extensive experiments show that VIPScene significantly outperforms existing methods and generalizes well across diverse scenarios. The code will be released.
☆ SFNet: Fusion of Spatial and Frequency-Domain Features for Remote Sensing Image Forgery Detection
The rapid advancement of generative artificial intelligence is producing fake remote sensing imagery (RSI) that is increasingly difficult to detect, potentially leading to erroneous intelligence, fake news, and even conspiracy theories. Existing forgery detection methods typically rely on single visual features to capture predefined artifacts, such as spatial-domain cues to detect forged objects like roads or buildings in RSI, or frequency-domain features to identify artifacts from up-sampling operations in adversarial generative networks (GANs). However, the nature of artifacts can significantly differ depending on geographic terrain, land cover types, or specific features within the RSI. Moreover, these complex artifacts evolve as generative models become more sophisticated. In short, over-reliance on a single visual cue makes existing forgery detectors struggle to generalize across diverse remote sensing data. This paper proposed a novel forgery detection framework called SFNet, designed to identify fake images in diverse remote sensing data by leveraging spatial and frequency domain features. Specifically, to obtain rich and comprehensive visual information, SFNet employs two independent feature extractors to capture spatial and frequency domain features from input RSIs. To fully utilize the complementary domain features, the domain feature mapping module and the hybrid domain feature refinement module(CBAM attention) of SFNet are designed to successively align and fuse the multi-domain features while suppressing redundant information. Experiments on three datasets show that SFNet achieves an accuracy improvement of 4%-15.18% over the state-of-the-art RS forgery detection methods and exhibits robust generalization capabilities. The code is available at https://github.com/GeoX-Lab/RSTI/tree/main/SFNet.
☆ WonderFree: Enhancing Novel View Quality and Cross-View Consistency for 3D Scene Exploration
Interactive 3D scene generation from a single image has gained significant attention due to its potential to create immersive virtual worlds. However, a key challenge in current 3D generation methods is the limited explorability, which cannot render high-quality images during larger maneuvers beyond the original viewpoint, particularly when attempting to move forward into unseen areas. To address this challenge, we propose WonderFree, the first model that enables users to interactively generate 3D worlds with the freedom to explore from arbitrary angles and directions. Specifically, we decouple this challenge into two key subproblems: novel view quality, which addresses visual artifacts and floating issues in novel views, and cross-view consistency, which ensures spatial consistency across different viewpoints. To enhance rendering quality in novel views, we introduce WorldRestorer, a data-driven video restoration model designed to eliminate floaters and artifacts. In addition, a data collection pipeline is presented to automatically gather training data for WorldRestorer, ensuring it can handle scenes with varying styles needed for 3D scene generation. Furthermore, to improve cross-view consistency, we propose ConsistView, a multi-view joint restoration mechanism that simultaneously restores multiple perspectives while maintaining spatiotemporal coherence. Experimental results demonstrate that WonderFree not only enhances rendering quality across diverse viewpoints but also significantly improves global coherence and consistency. These improvements are confirmed by CLIP-based metrics and a user study showing a 77.20% preference for WonderFree over WonderWorld enabling a seamless and immersive 3D exploration experience. The code, model, and data will be publicly available.
☆ TRIM: A Self-Supervised Video Summarization Framework Maximizing Temporal Relative Information and Representativeness
The increasing ubiquity of video content and the corresponding demand for efficient access to meaningful information have elevated video summarization and video highlights as a vital research area. However, many state-of-the-art methods depend heavily either on supervised annotations or on attention-based models, which are computationally expensive and brittle in the face of distribution shifts that hinder cross-domain applicability across datasets. We introduce a pioneering self-supervised video summarization model that captures both spatial and temporal dependencies without the overhead of attention, RNNs, or transformers. Our framework integrates a novel set of Markov process-driven loss metrics and a two-stage self supervised learning paradigm that ensures both performance and efficiency. Our approach achieves state-of-the-art performance on the SUMME and TVSUM datasets, outperforming all existing unsupervised methods. It also rivals the best supervised models, demonstrating the potential for efficient, annotation-free architectures. This paves the way for more generalizable video summarization techniques and challenges the prevailing reliance on complex architectures.
☆ Learning-Based Distance Estimation for 360° Single-Sensor Setups
Accurate distance estimation is a fundamental challenge in robotic perception, particularly in omnidirectional imaging, where traditional geometric methods struggle with lens distortions and environmental variability. In this work, we propose a neural network-based approach for monocular distance estimation using a single 360{\deg} fisheye lens camera. Unlike classical trigonometric techniques that rely on precise lens calibration, our method directly learns and infers the distance of objects from raw omnidirectional inputs, offering greater robustness and adaptability across diverse conditions. We evaluate our approach on three 360{\deg} datasets (LOAF, ULM360, and a newly captured dataset Boat360), each representing distinct environmental and sensor setups. Our experimental results demonstrate that the proposed learning-based model outperforms traditional geometry-based methods and other learning baselines in both accuracy and robustness. These findings highlight the potential of deep learning for real-time omnidirectional distance estimation, making our approach particularly well-suited for low-cost applications in robotics, autonomous navigation, and surveillance.
comment: Submitted to ECMR 2025
☆ Dense Video Captioning using Graph-based Sentence Summarization
Recently, dense video captioning has made attractive progress in detecting and captioning all events in a long untrimmed video. Despite promising results were achieved, most existing methods do not sufficiently explore the scene evolution within an event temporal proposal for captioning, and therefore perform less satisfactorily when the scenes and objects change over a relatively long proposal. To address this problem, we propose a graph-based partition-and-summarization (GPaS) framework for dense video captioning within two stages. For the ``partition" stage, a whole event proposal is split into short video segments for captioning at a finer level. For the ``summarization" stage, the generated sentences carrying rich description information for each segment are summarized into one sentence to describe the whole event. We particularly focus on the ``summarization" stage, and propose a framework that effectively exploits the relationship between semantic words for summarization. We achieve this goal by treating semantic words as nodes in a graph and learning their interactions by coupling Graph Convolutional Network (GCN) and Long Short Term Memory (LSTM), with the aid of visual cues. Two schemes of GCN-LSTM Interaction (GLI) modules are proposed for seamless integration of GCN and LSTM. The effectiveness of our approach is demonstrated via an extensive comparison with the state-of-the-arts methods on the two benchmarks ActivityNet Captions dataset and YouCook II dataset.
comment: 12 pages
☆ Causal Representation Learning with Observational Grouping for CXR Classification
Identifiable causal representation learning seeks to uncover the true causal relationships underlying a data generation process. In medical imaging, this presents opportunities to improve the generalisability and robustness of task-specific latent features. This work introduces the concept of grouping observations to learn identifiable representations for disease classification in chest X-rays via an end-to-end framework. Our experiments demonstrate that these causal representations improve generalisability and robustness across multiple classification tasks when grouping is used to enforce invariance w.r.t race, sex, and imaging views.
☆ Show, Tell and Summarize: Dense Video Captioning Using Visual Cue Aided Sentence Summarization
In this work, we propose a division-and-summarization (DaS) framework for dense video captioning. After partitioning each untrimmed long video as multiple event proposals, where each event proposal consists of a set of short video segments, we extract visual feature (e.g., C3D feature) from each segment and use the existing image/video captioning approach to generate one sentence description for this segment. Considering that the generated sentences contain rich semantic descriptions about the whole event proposal, we formulate the dense video captioning task as a visual cue aided sentence summarization problem and propose a new two stage Long Short Term Memory (LSTM) approach equipped with a new hierarchical attention mechanism to summarize all generated sentences as one descriptive sentence with the aid of visual features. Specifically, the first-stage LSTM network takes all semantic words from the generated sentences and the visual features from all segments within one event proposal as the input, and acts as the encoder to effectively summarize both semantic and visual information related to this event proposal. The second-stage LSTM network takes the output from the first-stage LSTM network and the visual features from all video segments within one event proposal as the input, and acts as the decoder to generate one descriptive sentence for this event proposal. Our comprehensive experiments on the ActivityNet Captions dataset demonstrate the effectiveness of our newly proposed DaS framework for dense video captioning.
comment: 10 pages
☆ HRIBench: Benchmarking Vision-Language Models for Real-Time Human Perception in Human-Robot Interaction
Real-time human perception is crucial for effective human-robot interaction (HRI). Large vision-language models (VLMs) offer promising generalizable perceptual capabilities but often suffer from high latency, which negatively impacts user experience and limits VLM applicability in real-world scenarios. To systematically study VLM capabilities in human perception for HRI and performance-latency trade-offs, we introduce HRIBench, a visual question-answering (VQA) benchmark designed to evaluate VLMs across a diverse set of human perceptual tasks critical for HRI. HRIBench covers five key domains: (1) non-verbal cue understanding, (2) verbal instruction understanding, (3) human-robot object relationship understanding, (4) social navigation, and (5) person identification. To construct HRIBench, we collected data from real-world HRI environments to curate questions for non-verbal cue understanding, and leveraged publicly available datasets for the remaining four domains. We curated 200 VQA questions for each domain, resulting in a total of 1000 questions for HRIBench. We then conducted a comprehensive evaluation of both state-of-the-art closed-source and open-source VLMs (N=11) on HRIBench. Our results show that, despite their generalizability, current VLMs still struggle with core perceptual capabilities essential for HRI. Moreover, none of the models within our experiments demonstrated a satisfactory performance-latency trade-off suitable for real-time deployment, underscoring the need for future research on developing smaller, low-latency VLMs with improved human perception capabilities. HRIBench and our results can be found in this Github repository: https://github.com/interaction-lab/HRIBench.
comment: Accepted to the 19th International Symposium on Experimental Robotics (ISER 2025)
☆ AdvMIM: Adversarial Masked Image Modeling for Semi-Supervised Medical Image Segmentation MICCAI 2025
Vision Transformer has recently gained tremendous popularity in medical image segmentation task due to its superior capability in capturing long-range dependencies. However, transformer requires a large amount of labeled data to be effective, which hinders its applicability in annotation scarce semi-supervised learning scenario where only limited labeled data is available. State-of-the-art semi-supervised learning methods propose combinatorial CNN-Transformer learning to cross teach a transformer with a convolutional neural network, which achieves promising results. However, it remains a challenging task to effectively train the transformer with limited labeled data. In this paper, we propose an adversarial masked image modeling method to fully unleash the potential of transformer for semi-supervised medical image segmentation. The key challenge in semi-supervised learning with transformer lies in the lack of sufficient supervision signal. To this end, we propose to construct an auxiliary masked domain from original domain with masked image modeling and train the transformer to predict the entire segmentation mask with masked inputs to increase supervision signal. We leverage the original labels from labeled data and pseudo-labels from unlabeled data to learn the masked domain. To further benefit the original domain from masked domain, we provide a theoretical analysis of our method from a multi-domain learning perspective and devise a novel adversarial training loss to reduce the domain gap between the original and masked domain, which boosts semi-supervised learning performance. We also extend adversarial masked image modeling to CNN network. Extensive experiments on three public medical image segmentation datasets demonstrate the effectiveness of our method, where our method outperforms existing methods significantly. Our code is publicly available at https://github.com/zlheui/AdvMIM.
comment: Accepted to MICCAI 2025
☆ Lightweight Multi-Frame Integration for Robust YOLO Object Detection in Videos
Modern image-based object detection models, such as YOLOv7, primarily process individual frames independently, thus ignoring valuable temporal context naturally present in videos. Meanwhile, existing video-based detection methods often introduce complex temporal modules, significantly increasing model size and computational complexity. In practical applications such as surveillance and autonomous driving, transient challenges including motion blur, occlusions, and abrupt appearance changes can severely degrade single-frame detection performance. To address these issues, we propose a straightforward yet highly effective strategy: stacking multiple consecutive frames as input to a YOLO-based detector while supervising only the output corresponding to a single target frame. This approach leverages temporal information with minimal modifications to existing architectures, preserving simplicity, computational efficiency, and real-time inference capability. Extensive experiments on the challenging MOT20Det and our BOAT360 datasets demonstrate that our method improves detection robustness, especially for lightweight models, effectively narrowing the gap between compact and heavy detection networks. Additionally, we contribute the BOAT360 benchmark dataset, comprising annotated fisheye video sequences captured from a boat, to support future research in multi-frame video object detection in challenging real-world scenarios.
comment: Submitted to ECMR 2025
☆ Pay Less Attention to Deceptive Artifacts: Robust Detection of Compressed Deepfakes on Online Social Networks
With the rapid advancement of deep learning, particularly through generative adversarial networks (GANs) and diffusion models (DMs), AI-generated images, or ``deepfakes", have become nearly indistinguishable from real ones. These images are widely shared across Online Social Networks (OSNs), raising concerns about their misuse. Existing deepfake detection methods overlook the ``block effects" introduced by compression in OSNs, which obscure deepfake artifacts, and primarily focus on raw images, rarely encountered in real-world scenarios. To address these challenges, we propose PLADA (Pay Less Attention to Deceptive Artifacts), a novel framework designed to tackle the lack of paired data and the ineffective use of compressed images. PLADA consists of two core modules: Block Effect Eraser (B2E), which uses a dual-stage attention mechanism to handle block effects, and Open Data Aggregation (ODA), which processes both paired and unpaired data to improve detection. Extensive experiments across 26 datasets demonstrate that PLADA achieves a remarkable balance in deepfake detection, outperforming SoTA methods in detecting deepfakes on OSNs, even with limited paired data and compression. More importantly, this work introduces the ``block effect" as a critical factor in deepfake detection, providing a robust solution for open-world scenarios. Our code is available at https://github.com/ManyiLee/PLADA.
comment: 20 pages, 10 figures
☆ AI-assisted radiographic analysis in detecting alveolar bone-loss severity and patterns
Periodontitis, a chronic inflammatory disease causing alveolar bone loss, significantly affects oral health and quality of life. Accurate assessment of bone loss severity and pattern is critical for diagnosis and treatment planning. In this study, we propose a novel AI-based deep learning framework to automatically detect and quantify alveolar bone loss and its patterns using intraoral periapical (IOPA) radiographs. Our method combines YOLOv8 for tooth detection with Keypoint R-CNN models to identify anatomical landmarks, enabling precise calculation of bone loss severity. Additionally, YOLOv8x-seg models segment bone levels and tooth masks to determine bone loss patterns (horizontal vs. angular) via geometric analysis. Evaluated on a large, expertly annotated dataset of 1000 radiographs, our approach achieved high accuracy in detecting bone loss severity (intra-class correlation coefficient up to 0.80) and bone loss pattern classification (accuracy 87%). This automated system offers a rapid, objective, and reproducible tool for periodontal assessment, reducing reliance on subjective manual evaluation. By integrating AI into dental radiographic analysis, our framework has the potential to improve early diagnosis and personalized treatment planning for periodontitis, ultimately enhancing patient care and clinical outcomes.
comment: This manuscript is 17 pages with 5 tables and 12 figures. The manuscript is under review at Nature Scientific Reports
☆ A Deep Learning Approach to Identify Rock Bolts in Complex 3D Point Clouds of Underground Mines Captured Using Mobile Laser Scanners
Rock bolts are crucial components of the subterranean support systems in underground mines that provide adequate structural reinforcement to the rock mass to prevent unforeseen hazards like rockfalls. This makes frequent assessments of such bolts critical for maintaining rock mass stability and minimising risks in underground mining operations. Where manual surveying of rock bolts is challenging due to the low light conditions in the underground mines and the time-intensive nature of the process, automated detection of rock bolts serves as a plausible solution. To that end, this study focuses on the automatic identification of rock bolts within medium to large-scale 3D point clouds obtained from underground mines using mobile laser scanners. Existing techniques for automated rock bolt identification primarily rely on feature engineering and traditional machine learning approaches. However, such techniques lack robustness as these point clouds present several challenges due to data noise, varying environments, and complex surrounding structures. Moreover, the target rock bolts are extremely small objects within large-scale point clouds and are often partially obscured due to the application of reinforcement shotcrete. Addressing these challenges, this paper proposes an approach termed DeepBolt, which employs a novel two-stage deep learning architecture specifically designed for handling severe class imbalance for the automatic and efficient identification of rock bolts in complex 3D point clouds. The proposed method surpasses state-of-the-art semantic segmentation models by up to 42.5% in Intersection over Union (IoU) for rock bolt points. Additionally, it outperforms existing rock bolt identification techniques, achieving a 96.41% precision and 96.96% recall in classifying rock bolts, demonstrating its robustness and effectiveness in complex underground environments.
☆ HiWave: Training-Free High-Resolution Image Generation via Wavelet-Based Diffusion Sampling
Diffusion models have emerged as the leading approach for image synthesis, demonstrating exceptional photorealism and diversity. However, training diffusion models at high resolutions remains computationally prohibitive, and existing zero-shot generation techniques for synthesizing images beyond training resolutions often produce artifacts, including object duplication and spatial incoherence. In this paper, we introduce HiWave, a training-free, zero-shot approach that substantially enhances visual fidelity and structural coherence in ultra-high-resolution image synthesis using pretrained diffusion models. Our method employs a two-stage pipeline: generating a base image from the pretrained model followed by a patch-wise DDIM inversion step and a novel wavelet-based detail enhancer module. Specifically, we first utilize inversion methods to derive initial noise vectors that preserve global coherence from the base image. Subsequently, during sampling, our wavelet-domain detail enhancer retains low-frequency components from the base image to ensure structural consistency, while selectively guiding high-frequency components to enrich fine details and textures. Extensive evaluations using Stable Diffusion XL demonstrate that HiWave effectively mitigates common visual artifacts seen in prior methods, achieving superior perceptual quality. A user study confirmed HiWave's performance, where it was preferred over the state-of-the-art alternative in more than 80% of comparisons, highlighting its effectiveness for high-quality, ultra-high-resolution image synthesis without requiring retraining or architectural modifications.
☆ Med-Art: Diffusion Transformer for 2D Medical Text-to-Image Generation
Text-to-image generative models have achieved remarkable breakthroughs in recent years. However, their application in medical image generation still faces significant challenges, including small dataset sizes, and scarcity of medical textual data. To address these challenges, we propose Med-Art, a framework specifically designed for medical image generation with limited data. Med-Art leverages vision-language models to generate visual descriptions of medical images which overcomes the scarcity of applicable medical textual data. Med-Art adapts a large-scale pre-trained text-to-image model, PixArt-$\alpha$, based on the Diffusion Transformer (DiT), achieving high performance under limited data. Furthermore, we propose an innovative Hybrid-Level Diffusion Fine-tuning (HLDF) method, which enables pixel-level losses, effectively addressing issues such as overly saturated colors. We achieve state-of-the-art performance on two medical image datasets, measured by FID, KID, and downstream classification performance.
comment: The project is available at \url{https://medart-ai.github.io}
☆ An Agentic System for Rare Disease Diagnosis with Traceable Reasoning
Rare diseases collectively affect over 300 million individuals worldwide, yet timely and accurate diagnosis remains a pervasive challenge. This is largely due to their clinical heterogeneity, low individual prevalence, and the limited familiarity most clinicians have with rare conditions. Here, we introduce DeepRare, the first rare disease diagnosis agentic system powered by a large language model (LLM), capable of processing heterogeneous clinical inputs. The system generates ranked diagnostic hypotheses for rare diseases, each accompanied by a transparent chain of reasoning that links intermediate analytic steps to verifiable medical evidence. DeepRare comprises three key components: a central host with a long-term memory module; specialized agent servers responsible for domain-specific analytical tasks integrating over 40 specialized tools and web-scale, up-to-date medical knowledge sources, ensuring access to the most current clinical information. This modular and scalable design enables complex diagnostic reasoning while maintaining traceability and adaptability. We evaluate DeepRare on eight datasets. The system demonstrates exceptional diagnostic performance among 2,919 diseases, achieving 100% accuracy for 1013 diseases. In HPO-based evaluations, DeepRare significantly outperforms other 15 methods, like traditional bioinformatics diagnostic tools, LLMs, and other agentic systems, achieving an average Recall@1 score of 57.18% and surpassing the second-best method (Reasoning LLM) by a substantial margin of 23.79 percentage points. For multi-modal input scenarios, DeepRare achieves 70.60% at Recall@1 compared to Exomiser's 53.20% in 109 cases. Manual verification of reasoning chains by clinical experts achieves 95.40% agreements. Furthermore, the DeepRare system has been implemented as a user-friendly web application http://raredx.cn/doctor.
☆ Fusing Radiomic Features with Deep Representations for Gestational Age Estimation in Fetal Ultrasound Images MICCAI 2025
Accurate gestational age (GA) estimation, ideally through fetal ultrasound measurement, is a crucial aspect of providing excellent antenatal care. However, deriving GA from manual fetal biometric measurements depends on the operator and is time-consuming. Hence, automatic computer-assisted methods are demanded in clinical practice. In this paper, we present a novel feature fusion framework to estimate GA using fetal ultrasound images without any measurement information. We adopt a deep learning model to extract deep representations from ultrasound images. We extract radiomic features to reveal patterns and characteristics of fetal brain growth. To harness the interpretability of radiomics in medical imaging analysis, we estimate GA by fusing radiomic features and deep representations. Our framework estimates GA with a mean absolute error of 8.0 days across three trimesters, outperforming current machine learning-based methods at these gestational ages. Experimental results demonstrate the robustness of our framework across different populations in diverse geographical regions. Our code is publicly available on \href{https://github.com/13204942/RadiomicsImageFusion_FetalUS}{GitHub}.
comment: Accepted at MICCAI 2025
☆ A Novel Large Vision Foundation Model (LVFM)-based Approach for Generating High-Resolution Canopy Height Maps in Plantations for Precision Forestry Management
Accurate, cost-effective monitoring of plantation aboveground biomass (AGB) is crucial for supporting local livelihoods and carbon sequestration initiatives like the China Certified Emission Reduction (CCER) program. High-resolution canopy height maps (CHMs) are essential for this, but standard lidar-based methods are expensive. While deep learning with RGB imagery offers an alternative, accurately extracting canopy height features remains challenging. To address this, we developed a novel model for high-resolution CHM generation using a Large Vision Foundation Model (LVFM). Our model integrates a feature extractor, a self-supervised feature enhancement module to preserve spatial details, and a height estimator. Tested in Beijing's Fangshan District using 1-meter Google Earth imagery, our model outperformed existing methods, including conventional CNNs. It achieved a mean absolute error of 0.09 m, a root mean square error of 0.24 m, and a correlation of 0.78 against lidar-based CHMs. The resulting CHMs enabled over 90% success in individual tree detection, high accuracy in AGB estimation, and effective tracking of plantation growth, demonstrating strong generalization to non-training areas. This approach presents a promising, scalable tool for evaluating carbon sequestration in both plantations and natural forests.
☆ Exploiting Lightweight Hierarchical ViT and Dynamic Framework for Efficient Visual Tracking
Transformer-based visual trackers have demonstrated significant advancements due to their powerful modeling capabilities. However, their practicality is limited on resource-constrained devices because of their slow processing speeds. To address this challenge, we present HiT, a novel family of efficient tracking models that achieve high performance while maintaining fast operation across various devices. The core innovation of HiT lies in its Bridge Module, which connects lightweight transformers to the tracking framework, enhancing feature representation quality. Additionally, we introduce a dual-image position encoding approach to effectively encode spatial information. HiT achieves an impressive speed of 61 frames per second (fps) on the NVIDIA Jetson AGX platform, alongside a competitive AUC of 64.6% on the LaSOT benchmark, outperforming all previous efficient trackers.Building on HiT, we propose DyHiT, an efficient dynamic tracker that flexibly adapts to scene complexity by selecting routes with varying computational requirements. DyHiT uses search area features extracted by the backbone network and inputs them into an efficient dynamic router to classify tracking scenarios. Based on the classification, DyHiT applies a divide-and-conquer strategy, selecting appropriate routes to achieve a superior trade-off between accuracy and speed. The fastest version of DyHiT achieves 111 fps on NVIDIA Jetson AGX while maintaining an AUC of 62.4% on LaSOT.Furthermore, we introduce a training-free acceleration method based on the dynamic routing architecture of DyHiT. This method significantly improves the execution speed of various high-performance trackers without sacrificing accuracy. For instance, our acceleration method enables the state-of-the-art tracker SeqTrack-B256 to achieve a 2.68 times speedup on an NVIDIA GeForce RTX 2080 Ti GPU while maintaining the same AUC of 69.9% on the LaSOT.
comment: This paper was accepted by International Journal of Computer Vision(IJCV)
☆ InvZW: Invariant Feature Learning via Noise-Adversarial Training for Robust Image Zero-Watermarking
This paper introduces a novel deep learning framework for robust image zero-watermarking based on distortion-invariant feature learning. As a zero-watermarking scheme, our method leaves the original image unaltered and learns a reference signature through optimization in the feature space. The proposed framework consists of two key modules. In the first module, a feature extractor is trained via noise-adversarial learning to generate representations that are both invariant to distortions and semantically expressive. This is achieved by combining adversarial supervision against a distortion discriminator and a reconstruction constraint to retain image content. In the second module, we design a learning-based multibit zero-watermarking scheme where the trained invariant features are projected onto a set of trainable reference codes optimized to match a target binary message. Extensive experiments on diverse image datasets and a wide range of distortions show that our method achieves state-of-the-art robustness in both feature stability and watermark recovery. Comparative evaluations against existing self-supervised and deep watermarking techniques further highlight the superiority of our framework in generalization and robustness.
☆ DreamAnywhere: Object-Centric Panoramic 3D Scene Generation
Recent advances in text-to-3D scene generation have demonstrated significant potential to transform content creation across multiple industries. Although the research community has made impressive progress in addressing the challenges of this complex task, existing methods often generate environments that are only front-facing, lack visual fidelity, exhibit limited scene understanding, and are typically fine-tuned for either indoor or outdoor settings. In this work, we address these issues and propose DreamAnywhere, a modular system for the fast generation and prototyping of 3D scenes. Our system synthesizes a 360{\deg} panoramic image from text, decomposes it into background and objects, constructs a complete 3D representation through hybrid inpainting, and lifts object masks to detailed 3D objects that are placed in the virtual environment. DreamAnywhere supports immersive navigation and intuitive object-level editing, making it ideal for scene exploration, visual mock-ups, and rapid prototyping -- all with minimal manual modeling. These features make our system particularly suitable for low-budget movie production, enabling quick iteration on scene layout and visual tone without the overhead of traditional 3D workflows. Our modular pipeline is highly customizable as it allows components to be replaced independently. Compared to current state-of-the-art text and image-based 3D scene generation approaches, DreamAnywhere shows significant improvements in coherence in novel view synthesis and achieves competitive image quality, demonstrating its effectiveness across diverse and challenging scenarios. A comprehensive user study demonstrates a clear preference for our method over existing approaches, validating both its technical robustness and practical usefulness.
☆ Practical insights on the effect of different encodings, ansätze and measurements in quantum and hybrid convolutional neural networks
This study investigates the design choices of parameterized quantum circuits (PQCs) within quantum and hybrid convolutional neural network (HQNN and QCNN) architectures, applied to the task of satellite image classification using the EuroSAT dataset. We systematically evaluate the performance implications of data encoding techniques, variational ans\"atze, and measurement in approx. 500 distinct model configurations. Our analysis reveals a clear hierarchy of influence on model performance. For hybrid architectures, which were benchmarked against their direct classical equivalents (e.g. the same architecture with the PQCs removed), the data encoding strategy is the dominant factor, with validation accuracy varying over 30% for distinct embeddings. In contrast, the selection of variational ans\"atze and measurement basis had a comparatively marginal effect, with validation accuracy variations remaining below 5%. For purely quantum models, restricted to amplitude encoding, performance was most dependent on the measurement protocol and the data-to-amplitude mapping. The measurement strategy varied the validation accuracy by up to 30% and the encoding mapping by around 8 percentage points.
comment: 20 pages, 22 figures
☆ Feature Hallucination for Self-supervised Action Recognition
Understanding human actions in videos requires more than raw pixel analysis; it relies on high-level semantic reasoning and effective integration of multimodal features. We propose a deep translational action recognition framework that enhances recognition accuracy by jointly predicting action concepts and auxiliary features from RGB video frames. At test time, hallucination streams infer missing cues, enriching feature representations without increasing computational overhead. To focus on action-relevant regions beyond raw pixels, we introduce two novel domain-specific descriptors. Object Detection Features (ODF) aggregate outputs from multiple object detectors to capture contextual cues, while Saliency Detection Features (SDF) highlight spatial and intensity patterns crucial for action recognition. Our framework seamlessly integrates these descriptors with auxiliary modalities such as optical flow, Improved Dense Trajectories, skeleton data, and audio cues. It remains compatible with state-of-the-art architectures, including I3D, AssembleNet, Video Transformer Network, FASTER, and recent models like VideoMAE V2 and InternVideo2. To handle uncertainty in auxiliary features, we incorporate aleatoric uncertainty modeling in the hallucination step and introduce a robust loss function to mitigate feature noise. Our multimodal self-supervised action recognition framework achieves state-of-the-art performance on multiple benchmarks, including Kinetics-400, Kinetics-600, and Something-Something V2, demonstrating its effectiveness in capturing fine-grained action dynamics.
comment: Accepted for publication in International Journal of Computer Vision (IJCV)
☆ EAGLE: An Efficient Global Attention Lesion Segmentation Model for Hepatic Echinococcosis
Hepatic echinococcosis (HE) is a widespread parasitic disease in underdeveloped pastoral areas with limited medical resources. While CNN-based and Transformer-based models have been widely applied to medical image segmentation, CNNs lack global context modeling due to local receptive fields, and Transformers, though capable of capturing long-range dependencies, are computationally expensive. Recently, state space models (SSMs), such as Mamba, have gained attention for their ability to model long sequences with linear complexity. In this paper, we propose EAGLE, a U-shaped network composed of a Progressive Visual State Space (PVSS) encoder and a Hybrid Visual State Space (HVSS) decoder that work collaboratively to achieve efficient and accurate segmentation of hepatic echinococcosis (HE) lesions. The proposed Convolutional Vision State Space Block (CVSSB) module is designed to fuse local and global features, while the Haar Wavelet Transformation Block (HWTB) module compresses spatial information into the channel dimension to enable lossless downsampling. Due to the lack of publicly available HE datasets, we collected CT slices from 260 patients at a local hospital. Experimental results show that EAGLE achieves state-of-the-art performance with a Dice Similarity Coefficient (DSC) of 89.76%, surpassing MSVM-UNet by 1.61%.
☆ From Codicology to Code: A Comparative Study of Transformer and YOLO-based Detectors for Layout Analysis in Historical Documents
Robust Document Layout Analysis (DLA) is critical for the automated processing and understanding of historical documents with complex page organizations. This paper benchmarks five state-of-the-art object detection architectures on three annotated datasets representing a spectrum of codicological complexity: The e-NDP, a corpus of Parisian medieval registers (1326-1504); CATMuS, a diverse multiclass dataset derived from various medieval and modern sources (ca.12th-17th centuries) and HORAE, a corpus of decorated books of hours (ca.13th-16th centuries). We evaluate two Transformer-based models (Co-DETR, Grounding DINO) against three YOLO variants (AABB, OBB, and YOLO-World). Our findings reveal significant performance variations dependent on model architecture, data set characteristics, and bounding box representation. In the e-NDP dataset, Co-DETR achieves state-of-the-art results (0.752 mAP@.50:.95), closely followed by YOLOv11X-OBB (0.721). Conversely, on the more complex CATMuS and HORAE datasets, the CNN-based YOLOv11x-OBB significantly outperforms all other models (0.564 and 0.568, respectively). This study unequivocally demonstrates that using Oriented Bounding Boxes (OBB) is not a minor refinement but a fundamental requirement for accurately modeling the non-Cartesian nature of historical manuscripts. We conclude that a key trade-off exists between the global context awareness of Transformers, ideal for structured layouts, and the superior generalization of CNN-OBB models for visually diverse and complex documents.
☆ On the Burstiness of Faces in Set
Burstiness, a phenomenon observed in text and image retrieval, refers to that particular elements appear more times in a set than a statistically independent model assumes. We argue that in the context of set-based face recognition (SFR), burstiness exists widely and degrades the performance in two aspects: Firstly, the bursty faces, where faces with particular attributes %exist frequently in a face set, dominate the training instances and dominate the training face sets and lead to poor generalization ability to unconstrained scenarios. Secondly, the bursty faces %dominating the evaluation sets interfere with the similarity comparison in set verification and identification when evaluation. To detect the bursty faces in a set, we propose three strategies based on Quickshift++, feature self-similarity, and generalized max-pooling (GMP). We apply the burst detection results on training and evaluation stages to enhance the sampling ratios or contributions of the infrequent faces. When evaluation, we additionally propose the quality-aware GMP that enables awareness of the face quality and robustness to the low-quality faces for the original GMP. We give illustrations and extensive experiments on the SFR benchmarks to demonstrate that burstiness is widespread and suppressing burstiness considerably improves the recognition performance.
comment: 18 pages, 5 figures
☆ Radiomic fingerprints for knee MR images assessment
Accurate interpretation of knee MRI scans relies on expert clinical judgment, often with high variability and limited scalability. Existing radiomic approaches use a fixed set of radiomic features (the signature), selected at the population level and applied uniformly to all patients. While interpretable, these signatures are often too constrained to represent individual pathological variations. As a result, conventional radiomic-based approaches are found to be limited in performance, compared with recent end-to-end deep learning (DL) alternatives without using interpretable radiomic features. We argue that the individual-agnostic nature in current radiomic selection is not central to its intepretability, but is responsible for the poor generalization in our application. Here, we propose a novel radiomic fingerprint framework, in which a radiomic feature set (the fingerprint) is dynamically constructed for each patient, selected by a DL model. Unlike the existing radiomic signatures, our fingerprints are derived on a per-patient basis by predicting the feature relevance in a large radiomic feature pool, and selecting only those that are predictive of clinical conditions for individual patients. The radiomic-selecting model is trained simultaneously with a low-dimensional (considered relatively explainable) logistic regression for downstream classification. We validate our methods across multiple diagnostic tasks including general knee abnormalities, anterior cruciate ligament (ACL) tears, and meniscus tears, demonstrating comparable or superior diagnostic accuracy relative to state-of-the-art end-to-end DL models. More importantly, we show that the interpretability inherent in our approach facilitates meaningful clinical insights and potential biomarker discovery, with detailed discussion, quantitative and qualitative analysis of real-world clinical cases to evidence these advantages.
☆ Learning Moderately Input-Sensitive Functions: A Case Study in QR Code Decoding
The hardness of learning a function that attains a target task relates to its input-sensitivity. For example, image classification tasks are input-insensitive as minor corruptions should not affect the classification results, whereas arithmetic and symbolic computation, which have been recently attracting interest, are highly input-sensitive as each input variable connects to the computation results. This study presents the first learning-based Quick Response (QR) code decoding and investigates learning functions of medium sensitivity. Our experiments reveal that Transformers can successfully decode QR codes, even beyond the theoretical error-correction limit, by learning the structure of embedded texts. They generalize from English-rich training data to other languages and even random strings. Moreover, we observe that the Transformer-based QR decoder focuses on data bits while ignoring error-correction bits, suggesting a decoding mechanism distinct from standard QR code readers.
comment: 17 pages, 13 figures
☆ FundaQ-8: A Clinically-Inspired Scoring Framework for Automated Fundus Image Quality Assessment
Automated fundus image quality assessment (FIQA) remains a challenge due to variations in image acquisition and subjective expert evaluations. We introduce FundaQ-8, a novel expert-validated framework for systematically assessing fundus image quality using eight critical parameters, including field coverage, anatomical visibility, illumination, and image artifacts. Using FundaQ-8 as a structured scoring reference, we develop a ResNet18-based regression model to predict continuous quality scores in the 0 to 1 range. The model is trained on 1800 fundus images from real-world clinical sources and Kaggle datasets, using transfer learning, mean squared error optimization, and standardized preprocessing. Validation against the EyeQ dataset and statistical analyses confirm the framework's reliability and clinical interpretability. Incorporating FundaQ-8 into deep learning models for diabetic retinopathy grading also improves diagnostic robustness, highlighting the value of quality-aware training in real-world screening applications.
☆ TDiR: Transformer based Diffusion for Image Restoration Tasks
Images captured in challenging environments often experience various forms of degradation, including noise, color cast, blur, and light scattering. These effects significantly reduce image quality, hindering their applicability in downstream tasks such as object detection, mapping, and classification. Our transformer-based diffusion model was developed to address image restoration tasks, aiming to improve the quality of degraded images. This model was evaluated against existing deep learning methodologies across multiple quality metrics for underwater image enhancement, denoising, and deraining on publicly available datasets. Our findings demonstrate that the diffusion model, combined with transformers, surpasses current methods in performance. The results of our model highlight the efficacy of diffusion models and transformers in improving the quality of degraded images, consequently expanding their utility in downstream tasks that require high-fidelity visual data.
☆ Ctrl-Z Sampling: Diffusion Sampling with Controlled Random Zigzag Explorations
Diffusion models have shown strong performance in conditional generation by progressively denoising Gaussian noise toward a target data distribution. This denoising process can be interpreted as a form of hill climbing in a learned latent space, where the model iteratively refines the sample toward regions of higher probability. However, diffusion models often converge to local optima that are locally visually coherent yet globally inconsistent or conditionally misaligned, due to latent space complexity and suboptimal initialization. Prior efforts attempted to address this by strengthening guidance signals or manipulating the initial noise distribution. We introduce Controlled Random Zigzag Sampling (Ctrl-Z Sampling), a novel sampling strategy designed to detect and escape such local maxima during conditional generation. The method first identifies potential local maxima using a reward model. Upon detection, it injects noise and reverts to a previous, noisier state to escape the current optimization plateau. The reward model then evaluates candidate trajectories, accepting only those that offer improvement, while progressively deeper retreat enables stronger escapes when nearby alternatives fail. This controlled random zigzag process allows dynamic alternation between forward refinement and backward exploration, enhancing both alignment and visual quality in the generated outputs. The proposed Ctrl-Z Sampling is model-agnostic and compatible with existing diffusion frameworks. Experimental results show that Ctrl-Z Sampling substantially improves generation quality with only around 7.6X increase in function evaluations.
comment: 10 pages, 3 figures, 2 tables
☆ Breaking Spatial Boundaries: Spectral-Domain Registration Guided Hyperspectral and Multispectral Blind Fusion
The blind fusion of unregistered hyperspectral images (HSIs) and multispectral images (MSIs) has attracted growing attention recently. To address the registration challenge, most existing methods employ spatial transformations on the HSI to achieve alignment with the MSI. However, due to the substantial differences in spatial resolution of the images, the performance of these methods is often unsatisfactory. Moreover, the registration process tends to be time-consuming when dealing with large-sized images in remote sensing. To address these issues, we propose tackling the registration problem from the spectral domain. Initially, a lightweight Spectral Prior Learning (SPL) network is developed to extract spectral features from the HSI and enhance the spectral resolution of the MSI. Following this, the obtained image undergoes spatial downsampling to produce the registered HSI. In this process, subspace representation and cyclic training strategy are employed to improve spectral accuracy of the registered HSI obtained. Next, we propose a blind sparse fusion (BSF) method, which utilizes group sparsity regularization to equivalently promote the low-rankness of the image. This approach not only circumvents the need for rank estimation, but also reduces computational complexity. Then, we employ the Proximal Alternating Optimization (PAO) algorithm to solve the BSF model, and present its convergence analysis. Finally, extensive numerical experiments on simulated and real datasets are conducted to verify the effectiveness of our method in registration and fusion. We also demonstrate its efficacy in enhancing classification performance.
☆ Opportunistic Osteoporosis Diagnosis via Texture-Preserving Self-Supervision, Mixture of Experts and Multi-Task Integration MICCAI 2025
Osteoporosis, characterized by reduced bone mineral density (BMD) and compromised bone microstructure, increases fracture risk in aging populations. While dual-energy X-ray absorptiometry (DXA) is the clinical standard for BMD assessment, its limited accessibility hinders diagnosis in resource-limited regions. Opportunistic computed tomography (CT) analysis has emerged as a promising alternative for osteoporosis diagnosis using existing imaging data. Current approaches, however, face three limitations: (1) underutilization of unlabeled vertebral data, (2) systematic bias from device-specific DXA discrepancies, and (3) insufficient integration of clinical knowledge such as spatial BMD distribution patterns. To address these, we propose a unified deep learning framework with three innovations. First, a self-supervised learning method using radiomic representations to leverage unlabeled CT data and preserve bone texture. Second, a Mixture of Experts (MoE) architecture with learned gating mechanisms to enhance cross-device adaptability. Third, a multi-task learning framework integrating osteoporosis diagnosis, BMD regression, and vertebra location prediction. Validated across three clinical sites and an external hospital, our approach demonstrates superior generalizability and accuracy over existing methods for opportunistic osteoporosis screening and diagnosis.
comment: Accepted by MICCAI 2025
☆ From Ideal to Real: Unified and Data-Efficient Dense Prediction for Real-World Scenarios
Dense prediction tasks hold significant importance of computer vision, aiming to learn pixel-wise annotated label for an input image. Despite advances in this field, existing methods primarily focus on idealized conditions, with limited generalization to real-world scenarios and facing the challenging scarcity of real-world data. To systematically study this problem, we first introduce DenseWorld, a benchmark spanning a broad set of 25 dense prediction tasks that correspond to urgent real-world applications, featuring unified evaluation across tasks. Then, we propose DenseDiT, which maximally exploits generative models' visual priors to perform diverse real-world dense prediction tasks through a unified strategy. DenseDiT combines a parameter-reuse mechanism and two lightweight branches that adaptively integrate multi-scale context, working with less than 0.1% additional parameters. Evaluations on DenseWorld reveal significant performance drops in existing general and specialized baselines, highlighting their limited real-world generalization. In contrast, DenseDiT achieves superior results using less than 0.01% training data of baselines, underscoring its practical value for real-world deployment. Our data, and checkpoints and codes are available at https://xcltql666.github.io/DenseDiTProj
☆ Forensic Study of Paintings Through the Comparison of Fabrics
The study of canvas fabrics in works of art is a crucial tool for authentication, attribution and conservation. Traditional methods are based on thread density map matching, which cannot be applied when canvases do not come from contiguous positions on a roll. This paper presents a novel approach based on deep learning to assess the similarity of textiles. We introduce an automatic tool that evaluates the similarity between canvases without relying on thread density maps. A Siamese deep learning model is designed and trained to compare pairs of images by exploiting the feature representations learned from the scans. In addition, a similarity estimation method is proposed, aggregating predictions from multiple pairs of cloth samples to provide a robust similarity score. Our approach is applied to canvases from the Museo Nacional del Prado, corroborating the hypothesis that plain weave canvases, widely used in painting, can be effectively compared even when their thread densities are similar. The results demonstrate the feasibility and accuracy of the proposed method, opening new avenues for the analysis of masterpieces.
☆ X-SiT: Inherently Interpretable Surface Vision Transformers for Dementia Diagnosis MICCAI 2025
Interpretable models are crucial for supporting clinical decision-making, driving advances in their development and application for medical images. However, the nature of 3D volumetric data makes it inherently challenging to visualize and interpret intricate and complex structures like the cerebral cortex. Cortical surface renderings, on the other hand, provide a more accessible and understandable 3D representation of brain anatomy, facilitating visualization and interactive exploration. Motivated by this advantage and the widespread use of surface data for studying neurological disorders, we present the eXplainable Surface Vision Transformer (X-SiT). This is the first inherently interpretable neural network that offers human-understandable predictions based on interpretable cortical features. As part of X-SiT, we introduce a prototypical surface patch decoder for classifying surface patch embeddings, incorporating case-based reasoning with spatially corresponding cortical prototypes. The results demonstrate state-of-the-art performance in detecting Alzheimer's disease and frontotemporal dementia while additionally providing informative prototypes that align with known disease patterns and reveal classification errors.
comment: MICCAI 2025
☆ Hierarchical Mask-Enhanced Dual Reconstruction Network for Few-Shot Fine-Grained Image Classification
Few-shot fine-grained image classification (FS-FGIC) presents a significant challenge, requiring models to distinguish visually similar subclasses with limited labeled examples. Existing methods have critical limitations: metric-based methods lose spatial information and misalign local features, while reconstruction-based methods fail to utilize hierarchical feature information and lack mechanisms to focus on discriminative regions. We propose the Hierarchical Mask-enhanced Dual Reconstruction Network (HMDRN), which integrates dual-layer feature reconstruction with mask-enhanced feature processing to improve fine-grained classification. HMDRN incorporates a dual-layer feature reconstruction and fusion module that leverages complementary visual information from different network hierarchies. Through learnable fusion weights, the model balances high-level semantic representations from the last layer with mid-level structural details from the penultimate layer. Additionally, we design a spatial binary mask-enhanced transformer self-reconstruction module that processes query features through adaptive thresholding while maintaining complete support features, enhancing focus on discriminative regions while filtering background noise. Extensive experiments on three challenging fine-grained datasets demonstrate that HMDRN consistently outperforms state-of-the-art methods across Conv-4 and ResNet-12 backbone architectures. Comprehensive ablation studies validate the effectiveness of each proposed component, revealing that dual-layer reconstruction enhances inter-class discrimination while mask-enhanced transformation reduces intra-class variations. Visualization results provide evidence of HMDRN's superior feature reconstruction capabilities.
☆ A Transformer Based Handwriting Recognition System Jointly Using Online and Offline Features
We posit that handwriting recognition benefits from complementary cues carried by the rasterized complex glyph and the pen's trajectory, yet most systems exploit only one modality. We introduce an end-to-end network that performs early fusion of offline images and online stroke data within a shared latent space. A patch encoder converts the grayscale crop into fixed-length visual tokens, while a lightweight transformer embeds the $(x, y, \text{pen})$ sequence. Learnable latent queries attend jointly to both token streams, yielding context-enhanced stroke embeddings that are pooled and decoded under a cross-entropy loss objective. Because integration occurs before any high-level classification, temporal cues reinforce each other during representation learning, producing stronger writer independence. Comprehensive experiments on IAMOn-DB and VNOn-DB demonstrate that our approach achieves state-of-the-art accuracy, exceeding previous bests by up to 1\%. Our study also shows adaptation of this pipeline with gesturification on the ISI-Air dataset. Our code can be found here.
comment: 15 pages, 7 figures
☆ Recognizing Surgical Phases Anywhere: Few-Shot Test-time Adaptation and Task-graph Guided Refinement MICCAI 2025
The complexity and diversity of surgical workflows, driven by heterogeneous operating room settings, institutional protocols, and anatomical variability, present a significant challenge in developing generalizable models for cross-institutional and cross-procedural surgical understanding. While recent surgical foundation models pretrained on large-scale vision-language data offer promising transferability, their zero-shot performance remains constrained by domain shifts, limiting their utility in unseen surgical environments. To address this, we introduce Surgical Phase Anywhere (SPA), a lightweight framework for versatile surgical workflow understanding that adapts foundation models to institutional settings with minimal annotation. SPA leverages few-shot spatial adaptation to align multi-modal embeddings with institution-specific surgical scenes and phases. It also ensures temporal consistency through diffusion modeling, which encodes task-graph priors derived from institutional procedure protocols. Finally, SPA employs dynamic test-time adaptation, exploiting the mutual agreement between multi-modal phase prediction streams to adapt the model to a given test video in a self-supervised manner, enhancing the reliability under test-time distribution shifts. SPA is a lightweight adaptation framework, allowing hospitals to rapidly customize phase recognition models by defining phases in natural language text, annotating a few images with the phase labels, and providing a task graph defining phase transitions. The experimental results show that the SPA framework achieves state-of-the-art performance in few-shot surgical phase recognition across multiple institutions and procedures, even outperforming full-shot models with 32-shot labeled data. Code is available at https://github.com/CAMMA-public/SPA
comment: Accepted by MICCAI 2025
☆ FedBKD: Distilled Federated Learning to Embrace Gerneralization and Personalization on Non-IID Data
Federated learning (FL) is a decentralized collaborative machine learning (ML) technique. It provides a solution to the issues of isolated data islands and data privacy leakage in industrial ML practices. One major challenge in FL is handling the non-identical and independent distributed (non-IID) data. Current solutions either focus on constructing an all-powerful global model, or customizing personalized local models. Few of them can provide both a well-generalized global model and well-performed local models at the same time. Additionally, many FL solutions to the non-IID problem are benefited from introducing public datasets. However, this will also increase the risk of data leakage. To tackle the problems, we propose a novel data-free distillation framework, Federated Bidirectional Knowledge Distillation (FedBKD). Specifically, we train Generative Adversarial Networks (GAN) for synthetic data. During the GAN training, local models serve as discriminators and their parameters are frozen. The synthetic data is then used for bidirectional distillation between global and local models to achieve knowledge interactions so that performances for both sides are improved. We conduct extensive experiments on 4 benchmarks under different non-IID settings. The results show that FedBKD achieves SOTA performances in every case.
☆ Dynamic Bandwidth Allocation for Hybrid Event-RGB Transmission
Event cameras asynchronously capture pixel-level intensity changes with extremely low latency. They are increasingly used in conjunction with RGB cameras for a wide range of vision-related applications. However, a major challenge in these hybrid systems lies in the transmission of the large volume of triggered events and RGB images. To address this, we propose a transmission scheme that retains efficient reconstruction performance of both sources while accomplishing real-time deblurring in parallel. Conventional RGB cameras and event cameras typically capture the same scene in different ways, often resulting in significant redundant information across their outputs. To address this, we develop a joint event and image (E-I) transmission framework to eliminate redundancy and thereby optimize channel bandwidth utilization. Our approach employs Bayesian modeling and the information bottleneck method to disentangle the shared and domain-specific information within the E-I inputs. This disentangled information bottleneck framework ensures both the compactness and informativeness of extracted shared and domain-specific information. Moreover, it adaptively allocates transmission bandwidth based on scene dynamics, i.e., more symbols are allocated to events for dynamic details or to images for static information. Simulation results demonstrate that the proposed scheme not only achieves superior reconstruction quality compared to conventional systems but also delivers enhanced deblurring performance.
☆ UniCode$^2$: Cascaded Large-scale Codebooks for Unified Multimodal Understanding and Generation
Unified multimodal large language models (MLLMs) have shown promise in jointly advancing multimodal understanding and generation, with visual codebooks discretizing images into tokens for autoregressive modeling. Existing codebook-based methods either rely on small vocabularies (~16K entries) that lack fine-grained semantics or naively scale up, resulting in low token utilization and unstable training. We propose UniCode$^2$, a cascaded codebook framework enabling large-scale, semantically aligned, and stable visual tokenization. By clustering millions of SigLIP sequence embeddings, we build a 500K-entry codebook that preserves vision-language alignment while expanding capacity. Stability is ensured via a cascaded design: a frozen codebook anchors the embedding space, and a trainable codebook refines task-specific semantics. This decoupling promotes high utilization and robust learning. Moreover, the alignment of our visual tokens with textual semantics enables seamless integration with pretrained diffusion decoders, supporting high-quality visual synthesis with minimal adaptation. UniCode^2 delivers strong performance across diverse benchmarks, demonstrating the viability of scaling visual token spaces without sacrificing stability, semantics, or modularity.
comment: 19 pages, 5 figures
☆ MS-IQA: A Multi-Scale Feature Fusion Network for PET/CT Image Quality Assessment MICCAI 2025
Positron Emission Tomography / Computed Tomography (PET/CT) plays a critical role in medical imaging, combining functional and anatomical information to aid in accurate diagnosis. However, image quality degradation due to noise, compression and other factors could potentially lead to diagnostic uncertainty and increase the risk of misdiagnosis. When evaluating the quality of a PET/CT image, both low-level features like distortions and high-level features like organ anatomical structures affect the diagnostic value of the image. However, existing medical image quality assessment (IQA) methods are unable to account for both feature types simultaneously. In this work, we propose MS-IQA, a novel multi-scale feature fusion network for PET/CT IQA, which utilizes multi-scale features from various intermediate layers of ResNet and Swin Transformer, enhancing its ability of perceiving both local and global information. In addition, a multi-scale feature fusion module is also introduced to effectively combine high-level and low-level information through a dynamically weighted channel attention mechanism. Finally, to fill the blank of PET/CT IQA dataset, we construct PET-CT-IQA-DS, a dataset containing 2,700 varying-quality PET/CT images with quality scores assigned by radiologists. Experiments on our dataset and the publicly available LDCTIQAC2023 dataset demonstrate that our proposed model has achieved superior performance against existing state-of-the-art methods in various IQA metrics. This work provides an accurate and efficient IQA method for PET/CT. Our code and dataset are available at https://github.com/MS-IQA/MS-IQA/.
comment: Accepted to MICCAI 2025
☆ Progressive Alignment Degradation Learning for Pansharpening
Deep learning-based pansharpening has been shown to effectively generate high-resolution multispectral (HRMS) images. To create supervised ground-truth HRMS images, synthetic data generated using the Wald protocol is commonly employed. This protocol assumes that networks trained on artificial low-resolution data will perform equally well on high-resolution data. However, well-trained models typically exhibit a trade-off in performance between reduced-resolution and full-resolution datasets. In this paper, we delve into the Wald protocol and find that its inaccurate approximation of real-world degradation patterns limits the generalization of deep pansharpening models. To address this issue, we propose the Progressive Alignment Degradation Module (PADM), which uses mutual iteration between two sub-networks, PAlignNet and PDegradeNet, to adaptively learn accurate degradation processes without relying on predefined operators. Building on this, we introduce HFreqdiff, which embeds high-frequency details into a diffusion framework and incorporates CFB and BACM modules for frequency-selective detail extraction and precise reverse process learning. These innovations enable effective integration of high-resolution panchromatic and multispectral images, significantly enhancing spatial sharpness and quality. Experiments and ablation studies demonstrate the proposed method's superior performance compared to state-of-the-art techniques.
comment: 13 pages, 9 figures
☆ Towards Scalable and Generalizable Earth Observation Data Mining via Foundation Model Composition
Foundation models are rapidly transforming Earth Observation data mining by enabling generalizable and scalable solutions for key tasks such as scene classification and semantic segmentation. While most efforts in the geospatial domain have focused on developing large models trained from scratch using massive Earth Observation datasets, an alternative strategy that remains underexplored is the reuse and combination of existing pretrained models. In this study, we investigate whether foundation models pretrained on remote sensing and general vision datasets can be effectively combined to improve performance across a diverse set of key Earth Observation tasks. Using the GEO-Bench benchmark, we evaluate several prominent models, including Prithvi, Hiera, and DOFA, on eleven datasets covering a range of spatial resolutions, sensor modalities, and task types. The results show that feature-level ensembling of smaller pretrained models can match or exceed the performance of much larger models, while requiring less training time and computational resources. Moreover, the study highlights the potential of applying knowledge distillation to transfer the strengths of ensembles into more compact models, offering a practical path for deploying foundation models in real-world Earth Observation applications.
☆ Seeing is Believing? Mitigating OCR Hallucinations in Multimodal Large Language Models
Recent advancements in multimodal large language models have enhanced document understanding by integrating textual and visual information. However, existing models exhibit incompleteness within their paradigm in real-world scenarios, particularly under visual degradation. In such conditions, the current response paradigm often fails to adequately perceive visual degradation and ambiguity, leading to overreliance on linguistic priors or misaligned visual-textual reasoning. This difficulty in recognizing uncertainty frequently results in the generation of hallucinatory content, especially when a precise answer is not feasible. To better demonstrate and analyze this phenomenon and problem, we propose KIE-HVQA, the first benchmark dedicated to evaluating OCR hallucination in degraded document understanding. This dataset includes test samples spanning identity cards and invoices, with simulated real-world degradations for OCR reliability. This setup allows for evaluating models' capacity, under degraded input, to distinguish reliable visual information and answer accordingly, thereby highlighting the challenge of avoiding hallucination on uncertain data. To achieve vision-faithful reasoning and thereby avoid the aforementioned issues, we further introduce a GRPO-based framework featuring a novel reward mechanism. By incorporating a self-awareness of visual uncertainty and an analysis method that initiates refusal to answer to increase task difficulty within our supervised fine-tuning and reinforcement learning framework, we successfully mitigated hallucinations in ambiguous regions. Experiments on Qwen2.5-VL demonstrate that our 7B-parameter model achieves a 22\% absolute improvement in hallucination-free accuracy over GPT-4o on KIE-HVQA and there is no significant performance drop in standard tasks, highlighting both effectiveness and robustness.
☆ Towards Efficient Exemplar Based Image Editing with Multimodal VLMs
Text-to-Image Diffusion models have enabled a wide array of image editing applications. However, capturing all types of edits through text alone can be challenging and cumbersome. The ambiguous nature of certain image edits is better expressed through an exemplar pair, i.e., a pair of images depicting an image before and after an edit respectively. In this work, we tackle exemplar-based image editing -- the task of transferring an edit from an exemplar pair to a content image(s), by leveraging pretrained text-to-image diffusion models and multimodal VLMs. Even though our end-to-end pipeline is optimization-free, our experiments demonstrate that it still outperforms baselines on multiple types of edits while being ~4x faster.
comment: Accepted at ECCV 2024 (AI4VA Workshop)
☆ Loss-Aware Automatic Selection of Structured Pruning Criteria for Deep Neural Network Acceleration
Structured pruning is a well-established technique for compressing neural networks, making it suitable for deployment in resource-limited edge devices. This paper presents an efficient Loss-Aware Automatic Selection of Structured Pruning Criteria (LAASP) for slimming and accelerating deep neural networks. The majority of pruning methodologies employ a sequential process consisting of three stages: 1) training, 2) pruning, and 3) fine-tuning, whereas the proposed pruning technique adopts a pruning-while-training approach that eliminates the first stage and integrates the second and third stages into a single cycle. The automatic selection of magnitude or similarity-based filter pruning criteria from a specified pool of criteria and the specific pruning layer at each pruning iteration is guided by the network's overall loss on a small subset of the training data. To mitigate the abrupt accuracy drop due to pruning, the network is retrained briefly after each reduction of a predefined number of floating-point operations (FLOPs). The optimal pruning rates for each layer in the network are automatically determined, eliminating the need for manual allocation of fixed or variable pruning rates for each layer. Experiments on the VGGNet and ResNet models on the CIFAR-10 and ImageNet benchmark datasets demonstrate the effectiveness of the proposed method. In particular, the ResNet56 and ResNet110 models on the CIFAR-10 dataset significantly improve the top-1 accuracy compared to state-of-the-art methods while reducing the network FLOPs by 52\%. Furthermore, the ResNet50 model on the ImageNet dataset reduces FLOPs by more than 42\% with a negligible 0.33\% drop in top-5 accuracy. The source code of this paper is publicly available online - https://github.com/ghimiredhikura/laasp.
☆ EAR: Erasing Concepts from Unified Autoregressive Models
Autoregressive (AR) models have achieved unified and strong performance across both visual understanding and image generation tasks. However, removing undesired concepts from AR models while maintaining overall generation quality remains an open challenge. In this paper, we propose Erasure Autoregressive Model (EAR), a fine-tuning method for effective and utility-preserving concept erasure in AR models. Specifically, we introduce Windowed Gradient Accumulation (WGA) strategy to align patch-level decoding with erasure objectives, and Thresholded Loss Masking (TLM) strategy to protect content unrelated to the target concept during fine-tuning. Furthermore, we propose a novel benchmark, Erase Concept Generator and Visual Filter (ECGVF), aim at provide a more rigorous and comprehensive foundation for evaluating concept erasure in AR models. Specifically, we first employ structured templates across diverse large language models (LLMs) to pre-generate a large-scale corpus of target-replacement concept prompt pairs. Subsequently, we generate images from these prompts and subject them to rigorous filtering via a visual classifier to ensure concept fidelity and alignment. Extensive experimental results conducted on the ECGVF benchmark with the AR model Janus-Pro demonstrate that EAR achieves marked improvements in both erasure effectiveness and model utility preservation. Code is available at: https://github.com/immc-lab/ear/
comment: 11 pages, 7 figures, 1 tables
♻ ☆ OmniGen2: Exploration to Advanced Multimodal Generation
In this work, we introduce OmniGen2, a versatile and open-source generative model designed to provide a unified solution for diverse generation tasks, including text-to-image, image editing, and in-context generation. Unlike OmniGen v1, OmniGen2 features two distinct decoding pathways for text and image modalities, utilizing unshared parameters and a decoupled image tokenizer. This design enables OmniGen2 to build upon existing multimodal understanding models without the need to re-adapt VAE inputs, thereby preserving the original text generation capabilities. To facilitate the training of OmniGen2, we developed comprehensive data construction pipelines, encompassing image editing and in-context generation data. Additionally, we introduce a reflection mechanism tailored for image generation tasks and curate a dedicated reflection dataset based on OmniGen2. Despite its relatively modest parameter size, OmniGen2 achieves competitive results on multiple task benchmarks, including text-to-image and image editing. To further evaluate in-context generation, also referred to as subject-driven tasks, we introduce a new benchmark named OmniContext. OmniGen2 achieves state-of-the-art performance among open-source models in terms of consistency. We will release our models, training code, datasets, and data construction pipeline to support future research in this field. Project Page: https://vectorspacelab.github.io/OmniGen2; GitHub Link: https://github.com/VectorSpaceLab/OmniGen2
♻ ☆ Diffusion Models Through a Global Lens: Are They Culturally Inclusive?
Text-to-image diffusion models have recently enabled the creation of visually compelling, detailed images from textual prompts. However, their ability to accurately represent various cultural nuances remains an open question. In our work, we introduce CultDiff benchmark, evaluating state-of-the-art diffusion models whether they can generate culturally specific images spanning ten countries. We show that these models often fail to generate cultural artifacts in architecture, clothing, and food, especially for underrepresented country regions, by conducting a fine-grained analysis of different similarity aspects, revealing significant disparities in cultural relevance, description fidelity, and realism compared to real-world reference images. With the collected human evaluations, we develop a neural-based image-image similarity metric, namely, CultDiff-S, to predict human judgment on real and generated images with cultural artifacts. Our work highlights the need for more inclusive generative AI systems and equitable dataset representation over a wide range of cultures.
comment: 17 pages, 17 figures, 3 tables
♻ ☆ From $\mathcal{O}(n^{2})$ to $\mathcal{O}(n)$ Parameters: Quantum Self-Attention in Vision Transformers for Biomedical Image Classification MICCAI 2025
We demonstrate that quantum vision transformers (QViTs), vision transformers (ViTs) with self-attention (SA) mechanisms replaced by quantum self-attention (QSA) mechanisms, can match state-of-the-art (SOTA) biomedical image classifiers while using 99.99% fewer parameters. QSAs are produced by replacing linear SA layers with parameterised quantum neural networks (QNNs), producing a QSA mechanism and reducing parameter scaling from $\mathcal{O}(n^2)$ to $\mathcal{O}(n)$. On RetinaMNIST, our ultra parameter-efficient QViT outperforms 13/14 SOTA methods including CNNs and ViTs, achieving 56.5% accuracy, just 0.88% below the top MedMamba model while using 99.99% fewer parameters (1K vs 14.5M) and 89% fewer GFLOPs. We present the first investigation of knowledge distillation (KD) from classical to quantum vision transformers in biomedical image classification, showing that QViTs maintain comparable performance to classical ViTs across eight diverse datasets spanning multiple modalities, with improved QSA parameter-efficiency. Our higher-qubit architecture benefitted more from KD pre-training, suggesting a scaling relationship between QSA parameters and KD effectiveness. These findings establish QSA as a practical architectural choice toward parameter-efficient biomedical image analysis.
comment: Submitted for EMA4MICCAI 2025
♻ ☆ Time-Aware Auto White Balance in Mobile Photography
Cameras rely on auto white balance (AWB) to correct undesirable color casts caused by scene illumination and the camera's spectral sensitivity. This is typically achieved using an illuminant estimator that determines the global color cast solely from the color information in the camera's raw sensor image. Mobile devices provide valuable additional metadata-such as capture timestamp and geolocation-that offers strong contextual clues to help narrow down the possible illumination solutions. This paper proposes a lightweight illuminant estimation method that incorporates such contextual metadata, along with additional capture information and image colors, into a compact model (~5K parameters), achieving promising results, matching or surpassing larger models. To validate our method, we introduce a dataset of 3,224 smartphone images with contextual metadata collected at various times of day and under diverse lighting conditions. The dataset includes ground-truth illuminant colors, determined using a color chart, and user-preferred illuminants validated through a user study, providing a comprehensive benchmark for AWB evaluation.
♻ ☆ FluoroSAM: A Language-promptable Foundation Model for Flexible X-ray Image Segmentation
Language promptable X-ray image segmentation would enable greater flexibility for human-in-the-loop workflows in diagnostic and interventional precision medicine. Prior efforts have contributed task-specific models capable of solving problems within a narrow scope, but expanding to broader use requires additional data, annotations, and training time. Recently, language-aligned foundation models (LFMs) -- machine learning models trained on large amounts of highly variable image and text data thus enabling broad applicability -- have emerged as promising tools for automated image analysis. Existing foundation models for medical image analysis focus on scenarios and modalities where large, richly annotated datasets are available. However, the X-ray imaging modality features highly variable image appearance and applications, from diagnostic chest X-rays to interventional fluoroscopy, with varying availability of data. To pave the way toward an LFM for comprehensive and language-aligned analysis of arbitrary medical X-ray images, we introduce FluoroSAM, a language-promptable variant of the Segment Anything Model, trained from scratch on 3M synthetic X-ray images from a wide variety of human anatomies, imaging geometries, and viewing angles. These include pseudo-ground truth masks for 128 organ types and 464 tools with associated text descriptions. FluoroSAM is capable of segmenting myriad anatomical structures and tools based on natural language prompts, thanks to the novel incorporation of vector quantization (VQ) of text embeddings in the training process. We demonstrate FluoroSAM's performance quantitatively on real X-ray images and showcase on several applications how FluoroSAM is a key enabler for rich human-machine interaction in the X-ray image acquisition and analysis context. Code is available at https://github.com/arcadelab/fluorosam.
♻ ☆ Dark Channel-Assisted Depth-from-Defocus from a Single Image
We estimate scene depth from a single defocus-blurred image using the dark channel as a complementary cue, leveraging its ability to capture local statistics and scene structure. Traditional depth-from-defocus (DFD) methods use multiple images with varying apertures or focus. Single-image DFD is underexplored due to its inherent challenges. Few attempts have focused on depth-from-defocus (DFD) from a single defocused image because the problem is underconstrained. Our method uses the relationship between local defocus blur and contrast variations as depth cues to improve scene structure estimation. The pipeline is trained end-to-end with adversarial learning. Experiments on real data demonstrate that incorporating the dark channel prior into single-image DFD provides meaningful depth estimation, validating our approach.
♻ ☆ Cross-Frame Representation Alignment for Fine-Tuning Video Diffusion Models
Fine-tuning Video Diffusion Models (VDMs) at the user level to generate videos that reflect specific attributes of training data presents notable challenges, yet remains underexplored despite its practical importance. Meanwhile, recent work such as Representation Alignment (REPA) has shown promise in improving the convergence and quality of DiT-based image diffusion models by aligning, or assimilating, its internal hidden states with external pretrained visual features, suggesting its potential for VDM fine-tuning. In this work, we first propose a straightforward adaptation of REPA for VDMs and empirically show that, while effective for convergence, it is suboptimal in preserving semantic consistency across frames. To address this limitation, we introduce Cross-frame Representation Alignment (CREPA), a novel regularization technique that aligns hidden states of a frame with external features from neighboring frames. Empirical evaluations on large-scale VDMs, including CogVideoX-5B and Hunyuan Video, demonstrate that CREPA improves both visual fidelity and cross-frame semantic coherence when fine-tuned with parameter-efficient methods such as LoRA. We further validate CREPA across diverse datasets with varying attributes, confirming its broad applicability.
comment: Project page: https://crepavideo.github.io
♻ ☆ PanoWan: Lifting Diffusion Video Generation Models to 360° with Latitude/Longitude-aware Mechanisms
Panoramic video generation enables immersive 360{\deg} content creation, valuable in applications that demand scene-consistent world exploration. However, existing panoramic video generation models struggle to leverage pre-trained generative priors from conventional text-to-video models for high-quality and diverse panoramic videos generation, due to limited dataset scale and the gap in spatial feature representations. In this paper, we introduce PanoWan to effectively lift pre-trained text-to-video models to the panoramic domain, equipped with minimal modules. PanoWan employs latitude-aware sampling to avoid latitudinal distortion, while its rotated semantic denoising and padded pixel-wise decoding ensure seamless transitions at longitude boundaries. To provide sufficient panoramic videos for learning these lifted representations, we contribute PanoVid, a high-quality panoramic video dataset with captions and diverse scenarios. Consequently, PanoWan achieves state-of-the-art performance in panoramic video generation and demonstrates robustness for zero-shot downstream tasks. Our project page is available at https://panowan.variantconst.com.
♻ ☆ ViStoryBench: Comprehensive Benchmark Suite for Story Visualization
Story visualization, which aims to generate a sequence of visually coherent images aligning with a given narrative and reference images, has seen significant progress with recent advancements in generative models. To further enhance the performance of story visualization frameworks in real-world scenarios, we introduce a comprehensive evaluation benchmark, ViStoryBench. We collect a diverse dataset encompassing various story types and artistic styles, ensuring models are evaluated across multiple dimensions such as different plots (e.g., comedy, horror) and visual aesthetics (e.g., anime, 3D renderings). ViStoryBench is carefully curated to balance narrative structures and visual elements, featuring stories with single and multiple protagonists to test models' ability to maintain character consistency. Additionally, it includes complex plots and intricate world-building to challenge models in generating accurate visuals. To ensure comprehensive comparisons, our benchmark incorporates a wide range of evaluation metrics assessing critical aspects. This structured and multifaceted framework enables researchers to thoroughly identify both the strengths and weaknesses of different models, fostering targeted improvements.
comment: 33 Pages, Project Page: https://vistorybench.github.io/, Code: https://github.com/vistorybench/vistorybench
♻ ☆ LPOSS: Label Propagation Over Patches and Pixels for Open-vocabulary Semantic Segmentation
We propose a training-free method for open-vocabulary semantic segmentation using Vision-and-Language Models (VLMs). Our approach enhances the initial per-patch predictions of VLMs through label propagation, which jointly optimizes predictions by incorporating patch-to-patch relationships. Since VLMs are primarily optimized for cross-modal alignment and not for intra-modal similarity, we use a Vision Model (VM) that is observed to better capture these relationships. We address resolution limitations inherent to patch-based encoders by applying label propagation at the pixel level as a refinement step, significantly improving segmentation accuracy near class boundaries. Our method, called LPOSS+, performs inference over the entire image, avoiding window-based processing and thereby capturing contextual interactions across the full image. LPOSS+ achieves state-of-the-art performance among training-free methods, across a diverse set of datasets. Code: https://github.com/vladan-stojnic/LPOSS
♻ ☆ MatSwap: Light-aware material transfers in images
We present MatSwap, a method to transfer materials to designated surfaces in an image photorealistically. Such a task is non-trivial due to the large entanglement of material appearance, geometry, and lighting in a photograph. In the literature, material editing methods typically rely on either cumbersome text engineering or extensive manual annotations requiring artist knowledge and 3D scene properties that are impractical to obtain. In contrast, we propose to directly learn the relationship between the input material -- as observed on a flat surface -- and its appearance within the scene, without the need for explicit UV mapping. To achieve this, we rely on a custom light- and geometry-aware diffusion model. We fine-tune a large-scale pre-trained text-to-image model for material transfer using our synthetic dataset, preserving its strong priors to ensure effective generalization to real images. As a result, our method seamlessly integrates a desired material into the target location in the photograph while retaining the identity of the scene. We evaluate our method on synthetic and real images and show that it compares favorably to recent work both qualitatively and quantitatively. We release our code and data on https://github.com/astra-vision/MatSwap
comment: Accepted to EGSR, journal track to appear in Computer Graphics Forum
♻ ☆ MagicPose4D: Crafting Articulated Models with Appearance and Motion Control
With the success of 2D and 3D visual generative models, there is growing interest in generating 4D content. Existing methods primarily rely on text prompts to produce 4D content, but they often fall short of accurately defining complex or rare motions. To address this limitation, we propose MagicPose4D, a novel framework for refined control over both appearance and motion in 4D generation. Unlike current 4D generation methods, MagicPose4D accepts monocular videos or mesh sequences as motion prompts, enabling precise and customizable motion control. MagicPose4D comprises two key modules: (i) Dual-Phase 4D Reconstruction Module, which operates in two phases. The first phase focuses on capturing the model's shape using accurate 2D supervision and less accurate but geometrically informative 3D pseudo-supervision without imposing skeleton constraints. The second phase extracts the 3D motion (skeleton poses) using more accurate pseudo-3D supervision, obtained in the first phase and introduces kinematic chain-based skeleton constraints to ensure physical plausibility. Additionally, we propose a Global-local Chamfer loss that aligns the overall distribution of predicted mesh vertices with the supervision while maintaining part-level alignment without extra annotations. (ii) Cross-category Motion Transfer Module, which leverages the extracted motion from the 4D reconstruction module and uses a kinematic-chain-based skeleton to achieve cross-category motion transfer. It ensures smooth transitions between frames through dynamic rigidity, facilitating robust generalization without additional training. Through extensive experiments, we demonstrate that MagicPose4D significantly improves the accuracy and consistency of 4D content generation, outperforming existing methods in various benchmarks.
comment: Project Page: https://magicpose4d.github.io/
♻ ☆ CLAIM: Clinically-Guided LGE Augmentation for Realistic and Diverse Myocardial Scar Synthesis and Segmentation
Deep learning-based myocardial scar segmentation from late gadolinium enhancement (LGE) cardiac MRI has shown great potential for accurate and timely diagnosis and treatment planning for structural cardiac diseases. However, the limited availability and variability of LGE images with high-quality scar labels restrict the development of robust segmentation models. To address this, we introduce CLAIM: \textbf{C}linically-Guided \textbf{L}GE \textbf{A}ugmentation for Real\textbf{i}stic and Diverse \textbf{M}yocardial Scar Synthesis and Segmentation framework, a framework for anatomically grounded scar generation and segmentation. At its core is the SMILE module (Scar Mask generation guided by cLinical knowledgE), which conditions a diffusion-based generator on the clinically adopted AHA 17-segment model to synthesize images with anatomically consistent and spatially diverse scar patterns. In addition, CLAIM employs a joint training strategy in which the scar segmentation network is optimized alongside the generator, aiming to enhance both the realism of synthesized scars and the accuracy of the scar segmentation performance. Experimental results show that CLAIM produces anatomically coherent scar patterns and achieves higher Dice similarity with real scar distributions compared to baseline models. Our approach enables controllable and realistic myocardial scar synthesis and has demonstrated utility for downstream medical imaging task. Code is available at https://github.com/farheenjabeen/CLAIM-Scar-Synthesis.
comment: 14 Pages
♻ ☆ TCDiff++: An End-to-end Trajectory-Controllable Diffusion Model for Harmonious Music-Driven Group Choreography
Music-driven dance generation has garnered significant attention due to its wide range of industrial applications, particularly in the creation of group choreography. During the group dance generation process, however, most existing methods still face three primary issues: multi-dancer collisions, single-dancer foot sliding and abrupt swapping in the generation of long group dance. In this paper, we propose TCDiff++, a music-driven end-to-end framework designed to generate harmonious group dance. Specifically, to mitigate multi-dancer collisions, we utilize a dancer positioning embedding to better maintain the relative positioning among dancers. Additionally, we incorporate a distance-consistency loss to ensure that inter-dancer distances remain within plausible ranges. To address the issue of single-dancer foot sliding, we introduce a swap mode embedding to indicate dancer swapping patterns and design a Footwork Adaptor to refine raw motion, thereby minimizing foot sliding. For long group dance generation, we present a long group diffusion sampling strategy that reduces abrupt position shifts by injecting positional information into the noisy input. Furthermore, we integrate a Sequence Decoder layer to enhance the model's ability to selectively process long sequences. Extensive experiments demonstrate that our TCDiff++ achieves state-of-the-art performance, particularly in long-duration scenarios, ensuring high-quality and coherent group dance generation.
♻ ☆ LVPNet: A Latent-variable-based Prediction-driven End-to-end Framework for Lossless Compression of Medical Images MICCAI 2025
Autoregressive Initial Bits is a framework that integrates sub-image autoregression and latent variable modeling, demonstrating its advantages in lossless medical image compression. However, in existing methods, the image segmentation process leads to an even distribution of latent variable information across each sub-image, which in turn causes posterior collapse and inefficient utilization of latent variables. To deal with these issues, we propose a prediction-based end-to-end lossless medical image compression method named LVPNet, leveraging global latent variables to predict pixel values and encoding predicted probabilities for lossless compression. Specifically, we introduce the Global Multi-scale Sensing Module (GMSM), which extracts compact and informative latent representations from the entire image, effectively capturing spatial dependencies within the latent space. Furthermore, to mitigate the information loss introduced during quantization, we propose the Quantization Compensation Module (QCM), which learns the distribution of quantization errors and refines the quantized features to compensate for quantization loss. Extensive experiments on challenging benchmarks demonstrate that our method achieves superior compression efficiency compared to state-of-the-art lossless image compression approaches, while maintaining competitive inference speed. The code is at https://github.com/scy-Jackel/LVPNet.
comment: Accepted to MICCAI 2025
♻ ☆ Image Super-Resolution with Guarantees via Conformalized Generative Models
The increasing use of generative ML foundation models for image restoration tasks such as super-resolution calls for robust and interpretable uncertainty quantification methods. We address this need by presenting a novel approach based on conformal prediction techniques to create a 'confidence mask' capable of reliably and intuitively communicating where the generated image can be trusted. Our method is adaptable to any black-box generative model, including those locked behind an opaque API, requires only easily attainable data for calibration, and is highly customizable via the choice of a local image similarity metric. We prove strong theoretical guarantees for our method that span fidelity error control (according to our local image similarity metric), reconstruction quality, and robustness in the face of data leakage. Finally, we empirically evaluate these results and establish our method's solid performance.
comment: 17 pages, 7 figures
♻ ☆ Learning Adaptive Lighting via Channel-Aware Guidance
Learning lighting adaptation is a crucial step in achieving good visual perception and supporting downstream vision tasks. Current research often addresses individual light-related challenges, such as high dynamic range imaging and exposure correction, in isolation. However, we identify shared fundamental properties across these tasks: i) different color channels have different light properties, and ii) the channel differences reflected in the spatial and frequency domains are different. Leveraging these insights, we introduce the channel-aware Learning Adaptive Lighting Network (LALNet), a multi-task framework designed to handle multiple light-related tasks efficiently. Specifically, LALNet incorporates color-separated features that highlight the unique light properties of each color channel, integrated with traditional color-mixed features by Light Guided Attention (LGA). The LGA utilizes color-separated features to guide color-mixed features focusing on channel differences and ensuring visual consistency across all channels. Additionally, LALNet employs dual domain channel modulation for generating color-separated features and a mixed channel modulation and light state space module for producing color-mixed features. Extensive experiments on four representative light-related tasks demonstrate that LALNet significantly outperforms state-of-the-art methods on benchmark tests and requires fewer computational resources. We provide an anonymous online demo at https://xxxxxx2025.github.io/LALNet/.
♻ ☆ Self-Supervised Multimodal NeRF for Autonomous Driving
In this paper, we propose a Neural Radiance Fields (NeRF) based framework, referred to as Novel View Synthesis Framework (NVSF). It jointly learns the implicit neural representation of space and time-varying scene for both LiDAR and Camera. We test this on a real-world autonomous driving scenario containing both static and dynamic scenes. Compared to existing multimodal dynamic NeRFs, our framework is self-supervised, thus eliminating the need for 3D labels. For efficient training and faster convergence, we introduce heuristic-based image pixel sampling to focus on pixels with rich information. To preserve the local features of LiDAR points, a Double Gradient based mask is employed. Extensive experiments on the KITTI-360 dataset show that, compared to the baseline models, our framework has reported best performance on both LiDAR and Camera domain. Code of the model is available at https://github.com/gaurav00700/Selfsupervised-NVSF
♻ ☆ It's not you, it's me -- Global urban visual perception varies across demographics and personalities
Understanding people's preferences and needs is crucial for urban planning decisions, yet current approaches often combine them from multi-cultural and multi-city populations, obscuring important demographic differences and risking amplifying biases. We conducted a large-scale urban visual perception survey of streetscapes worldwide using street view imagery, examining how demographics -- including gender, age, income, education, race and ethnicity, and, for the first time, personality traits -- shape perceptions among 1,000 participants, with balanced demographics, from five countries and 45 nationalities. This dataset, introduced as Street Perception Evaluation Considering Socioeconomics (SPECS), exhibits statistically significant differences in perception scores in six traditionally used indicators (safe, lively, wealthy, beautiful, boring, and depressing) and four new ones we propose (live nearby, walk, cycle, green) among demographics and personalities. We revealed that location-based sentiments are carried over in people's preferences when comparing urban streetscapes with other cities. Further, we compared the perception scores based on where participants and streetscapes are from. We found that an off-the-shelf machine learning model trained on an existing global perception dataset tends to overestimate positive indicators and underestimate negative ones compared to human responses, suggesting that targeted intervention should consider locals' perception. Our study aspires to rectify the myopic treatment of street perception, which rarely considers demographics or personality traits.
comment: Under review
♻ ☆ MambaMorph: a Mamba-based Framework for Medical MR-CT Deformable Registration
Capturing voxel-wise spatial correspondence across distinct modalities is crucial for medical image analysis. However, current registration approaches are not practical enough in terms of registration accuracy and clinical applicability. In this paper, we introduce MambaMorph, a novel multi-modality deformable registration framework. Specifically, MambaMorph utilizes a Mamba-based registration module and a fine-grained, yet simple, feature extractor for efficient long-range correspondence modeling and high-dimensional feature learning, respectively. Additionally, we develop a well-annotated brain MR-CT registration dataset, SR-Reg, to address the scarcity of data in multi-modality registration. To validate MambaMorph's multi-modality registration capabilities, we conduct quantitative experiments on both our SR-Reg dataset and a public T1-T2 dataset. The experimental results on both datasets demonstrate that MambaMorph significantly outperforms the current state-of-the-art learning-based registration methods in terms of registration accuracy. Further study underscores the efficiency of the Mamba-based registration module and the lightweight feature extractor, which achieve notable registration quality while maintaining reasonable computational costs and speeds. We believe that MambaMorph holds significant potential for practical applications in medical image registration. The code for MambaMorph is available at: https://github.com/Guo-Stone/MambaMorph.
♻ ☆ Sampling Matters in Explanations: Towards Trustworthy Attribution Analysis Building Block in Visual Models through Maximizing Explanation Certainty
Image attribution analysis seeks to highlight the feature representations learned by visual models such that the highlighted feature maps can reflect the pixel-wise importance of inputs. Gradient integration is a building block in the attribution analysis by integrating the gradients from multiple derived samples to highlight the semantic features relevant to inferences. Such a building block often combines with other information from visual models such as activation or attention maps to form ultimate explanations. Yet, our theoretical analysis demonstrates that the extent to the alignment of the sample distribution in gradient integration with respect to natural image distribution gives a lower bound of explanation certainty. Prior works add noise into images as samples and the noise distributions can lead to low explanation certainty. Counter-intuitively, our experiment shows that extra information can saturate neural networks. To this end, building trustworthy attribution analysis needs to settle the sample distribution misalignment problem. Instead of adding extra information into input images, we present a semi-optimal sampling approach by suppressing features from inputs. The sample distribution by suppressing features is approximately identical to the distribution of natural images. Our extensive quantitative evaluation on large scale dataset ImageNet affirms that our approach is effective and able to yield more satisfactory explanations against state-of-the-art baselines throughout all experimental models.
comment: Code: https://anonymous.4open.science/r/sampling_matters_reproducibility-BB60/
♻ ☆ VICCA: Visual Interpretation and Comprehension of Chest X-ray Anomalies in Generated Report Without Human Feedback
As artificial intelligence (AI) becomes increasingly central to healthcare, the demand for explainable and trustworthy models is paramount. Current report generation systems for chest X-rays (CXR) often lack mechanisms for validating outputs without expert oversight, raising concerns about reliability and interpretability. To address these challenges, we propose a novel multimodal framework designed to enhance the semantic alignment and localization accuracy of AI-generated medical reports. Our framework integrates two key modules: a Phrase Grounding Model, which identifies and localizes pathologies in CXR images based on textual prompts, and a Text-to-Image Diffusion Module, which generates synthetic CXR images from prompts while preserving anatomical fidelity. By comparing features between the original and generated images, we introduce a dual-scoring system: one score quantifies localization accuracy, while the other evaluates semantic consistency. This approach significantly outperforms existing methods, achieving state-of-the-art results in pathology localization and text-to-image alignment. The integration of phrase grounding with diffusion models, coupled with the dual-scoring evaluation system, provides a robust mechanism for validating report quality, paving the way for more trustworthy and transparent AI in medical imaging.
♻ ☆ Bounding-box Watermarking: Defense against Model Extraction Attacks on Object Detectors KDD2025
Deep neural networks (DNNs) deployed in a cloud often allow users to query models via the APIs. However, these APIs expose the models to model extraction attacks (MEAs). In this attack, the attacker attempts to duplicate the target model by abusing the responses from the API. Backdoor-based DNN watermarking is known as a promising defense against MEAs, wherein the defender injects a backdoor into extracted models via API responses. The backdoor is used as a watermark of the model; if a suspicious model has the watermark (i.e., backdoor), it is verified as an extracted model. This work focuses on object detection (OD) models. Existing backdoor attacks on OD models are not applicable for model watermarking as the defense against MEAs on a realistic threat model. Our proposed approach involves inserting a backdoor into extracted models via APIs by stealthily modifying the bounding-boxes (BBs) of objects detected in queries while keeping the OD capability. In our experiments on three OD datasets, the proposed approach succeeded in identifying the extracted models with 100% accuracy in a wide variety of experimental scenarios.
comment: Accepted at ECML-PKDD2025. Please refer to the conference proceedings for the final version. Source codes: https://zenodo.org/records/15641464
♻ ☆ Neural Graph Map: Dense Mapping with Efficient Loop Closure Integration
Neural field-based SLAM methods typically employ a single, monolithic field as their scene representation. This prevents efficient incorporation of loop closure constraints and limits scalability. To address these shortcomings, we propose a novel RGB-D neural mapping framework in which the scene is represented by a collection of lightweight neural fields which are dynamically anchored to the pose graph of a sparse visual SLAM system. Our approach shows the ability to integrate large-scale loop closures, while requiring only minimal reintegration. Furthermore, we verify the scalability of our approach by demonstrating successful building-scale mapping taking multiple loop closures into account during the optimization, and show that our method outperforms existing state-of-the-art approaches on large scenes in terms of quality and runtime. Our code is available open-source at https://github.com/KTH-RPL/neural_graph_mapping.
comment: WACV 2025, Project page: https://kth-rpl.github.io/neural_graph_mapping/
♻ ☆ ULSR-GS: Ultra Large-scale Surface Reconstruction Gaussian Splatting with Multi-View Geometric Consistency
While Gaussian Splatting (GS) demonstrates efficient and high-quality scene rendering and small area surface extraction ability, it falls short in handling large-scale aerial image surface extraction tasks. To overcome this, we present ULSR-GS, a framework dedicated to high-fidelity surface extraction in ultra-large-scale scenes, addressing the limitations of existing GS-based mesh extraction methods. Specifically, we propose a point-to-photo partitioning approach combined with a multi-view optimal view matching principle to select the best training images for each sub-region. Additionally, during training, ULSR-GS employs a densification strategy based on multi-view geometric consistency to enhance surface extraction details. Experimental results demonstrate that ULSR-GS outperforms other state-of-the-art GS-based works on large-scale aerial photogrammetry benchmark datasets, significantly improving surface extraction accuracy in complex urban environments. Project page: https://ulsrgs.github.io.
comment: Project page: https://ulsrgs.github.io
♻ ☆ World-Consistent Data Generation for Vision-and-Language Navigation
Vision-and-Language Navigation (VLN) is a challenging task that requires an agent to navigate through photorealistic environments following natural-language instructions. One main obstacle existing in VLN is data scarcity, leading to poor generalization performance over unseen environments. Though data argumentation is a promising way for scaling up the dataset, how to generate VLN data both diverse and world-consistent remains problematic. To cope with this issue, we propose the world-consistent data generation (WCGEN), an efficacious data-augmentation framework satisfying both diversity and world-consistency, aimed at enhancing the generalization of agents to novel environments. Roughly, our framework consists of two stages, the trajectory stage which leverages a point-cloud based technique to ensure spatial coherency among viewpoints, and the viewpoint stage which adopts a novel angle synthesis method to guarantee spatial and wraparound consistency within the entire observation. By accurately predicting viewpoint changes with 3D knowledge, our approach maintains the world-consistency during the generation procedure. Experiments on a wide range of datasets verify the effectiveness of our method, demonstrating that our data augmentation strategy enables agents to achieve new state-of-the-art results on all navigation tasks, and is capable of enhancing the VLN agents' generalization ability to unseen environments.
♻ ☆ Provably Improving Generalization of Few-Shot Models with Synthetic Data ICML 2025
Few-shot image classification remains challenging due to the scarcity of labeled training examples. Augmenting them with synthetic data has emerged as a promising way to alleviate this issue, but models trained on synthetic samples often face performance degradation due to the inherent gap between real and synthetic distributions. To address this limitation, we develop a theoretical framework that quantifies the impact of such distribution discrepancies on supervised learning, specifically in the context of image classification. More importantly, our framework suggests practical ways to generate good synthetic samples and to train a predictor with high generalization ability. Building upon this framework, we propose a novel theoretical-based algorithm that integrates prototype learning to optimize both data partitioning and model training, effectively bridging the gap between real few-shot data and synthetic data. Extensive experiments results show that our approach demonstrates superior performance compared to state-of-the-art methods, outperforming them across multiple datasets.
comment: ICML 2025. Our code is released at https://github.com/Fsoft-AIC/ProtoAug
♻ ☆ Mamba Policy: Towards Efficient 3D Diffusion Policy with Hybrid Selective State Models
Diffusion models have been widely employed in the field of 3D manipulation due to their efficient capability to learn distributions, allowing for precise prediction of action trajectories. However, diffusion models typically rely on large parameter UNet backbones as policy networks, which can be challenging to deploy on resource-constrained devices. Recently, the Mamba model has emerged as a promising solution for efficient modeling, offering low computational complexity and strong performance in sequence modeling. In this work, we propose the Mamba Policy, a lighter but stronger policy that reduces the parameter count by over 80% compared to the original policy network while achieving superior performance. Specifically, we introduce the XMamba Block, which effectively integrates input information with conditional features and leverages a combination of Mamba and Attention mechanisms for deep feature extraction. Extensive experiments demonstrate that the Mamba Policy excels on the Adroit, Dexart, and MetaWorld datasets, requiring significantly fewer computational resources. Additionally, we highlight the Mamba Policy's enhanced robustness in long-horizon scenarios compared to baseline methods and explore the performance of various Mamba variants within the Mamba Policy framework. Real-world experiments are also conducted to further validate its effectiveness. Our open-source project page can be found at https://andycao1125.github.io/mamba_policy/.
comment: Accepted to IROS 2025
♻ ☆ WoundAmbit: Bridging State-of-the-Art Semantic Segmentation and Real-World Wound Care KDD 2025
Chronic wounds affect a large population, particularly the elderly and diabetic patients, who often exhibit limited mobility and co-existing health conditions. Automated wound monitoring via mobile image capture can reduce in-person physician visits by enabling remote tracking of wound size. Semantic segmentation is key to this process, yet wound segmentation remains underrepresented in medical imaging research. To address this, we benchmark state-of-the-art deep learning models from general-purpose vision, medical imaging, and top methods from public wound challenges. For a fair comparison, we standardize training, data augmentation, and evaluation, conducting cross-validation to minimize partitioning bias. We also assess real-world deployment aspects, including generalization to an out-of-distribution wound dataset, computational efficiency, and interpretability. Additionally, we propose a reference object-based approach to convert AI-generated masks into clinically relevant wound size estimates and evaluate this, along with mask quality, for the five best architectures based on physician assessments. Overall, the transformer-based TransNeXt showed the highest levels of generalizability. Despite variations in inference times, all models processed at least one image per second on the CPU, which is deemed adequate for the intended application. Interpretability analysis typically revealed prominent activations in wound regions, emphasizing focus on clinically relevant features. Expert evaluation showed high mask approval for all analyzed models, with VWFormer and ConvNeXtS backbone performing the best. Size retrieval accuracy was similar across models, and predictions closely matched expert annotations. Finally, we demonstrate how our AI-driven wound size estimation framework, WoundAmbit, is integrated into a custom telehealth system.
comment: Main paper: 18 pages; supplementary material: 15 pages; the paper has been accepted for publication at the Applied Data Science (ADS) track of the European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD 2025)
♻ ☆ Toddlers' Active Gaze Behavior Supports Self-Supervised Object Learning
Toddlers learn to recognize objects from different viewpoints with almost no supervision. During this learning, they execute frequent eye and head movements that shape their visual experience. It is presently unclear if and how these behaviors contribute to toddlers' emerging object recognition abilities. To answer this question, we here combine head-mounted eye tracking during dyadic play with unsupervised machine learning. We approximate toddlers' central visual field experience by cropping image regions from a head-mounted camera centered on the current gaze location estimated via eye tracking. This visual stream feeds an unsupervised computational model of toddlers' learning, which constructs visual representations that slowly change over time. Our experiments demonstrate that toddlers' gaze strategy supports the learning of invariant object representations. Our analysis also shows that the limited size of the central visual field where acuity is high is crucial for this. Overall, our work reveals how toddlers' gaze behavior may support their development of view-invariant object recognition.
comment: 27 pages, 16 figures
♻ ☆ ZigzagPointMamba: Spatial-Semantic Mamba for Point Cloud Understanding
State Space models (SSMs) such as PointMamba enable efficient feature extraction for point cloud self-supervised learning with linear complexity, outperforming Transformers in computational efficiency. However, existing PointMamba-based methods depend on complex token ordering and random masking, which disrupt spatial continuity and local semantic correlations. We propose ZigzagPointMamba to tackle these challenges. The core of our approach is a simple zigzag scan path that globally sequences point cloud tokens, enhancing spatial continuity by preserving the proximity of spatially adjacent point tokens. Nevertheless, random masking undermines local semantic modeling in self-supervised learning. To address this, we introduce a Semantic-Siamese Masking Strategy (SMS), which masks semantically similar tokens to facilitate reconstruction by integrating local features of original and similar tokens. This overcomes the dependence on isolated local features and enables robust global semantic modeling. Our pre-trained ZigzagPointMamba weights significantly improve downstream tasks, achieving a 1.59% mIoU gain on ShapeNetPart for part segmentation, a 0.4% higher accuracy on ModelNet40 for classification, and 0.19%, 1.22%, and 0.72% higher accuracies respectively for the classification tasks on the OBJ-BG, OBJ-ONLY, and PB-T50-RS subsets of ScanObjectNN.
comment: The format of the document has an error and needs to be revised
♻ ☆ KD-DETR: Knowledge Distillation for Detection Transformer with Consistent Distillation Points Sampling CVPR 2024
DETR is a novel end-to-end transformer architecture object detector, which significantly outperforms classic detectors when scaling up. In this paper, we focus on the compression of DETR with knowledge distillation. While knowledge distillation has been well-studied in classic detectors, there is a lack of researches on how to make it work effectively on DETR. We first provide experimental and theoretical analysis to point out that the main challenge in DETR distillation is the lack of consistent distillation points. Distillation points refer to the corresponding inputs of the predictions for student to mimic, which have different formulations in CNN detector and DETR, and reliable distillation requires sufficient distillation points which are consistent between teacher and student. Based on this observation, we propose the first general knowledge distillation paradigm for DETR (KD-DETR) with consistent distillation points sampling, for both homogeneous and heterogeneous distillation. Specifically, we decouple detection and distillation tasks by introducing a set of specialized object queries to construct distillation points for DETR. We further propose a general-to-specific distillation points sampling strategy to explore the extensibility of KD-DETR. Extensive experiments validate the effectiveness and generalization of KD-DETR. For both single-scale DAB-DETR and multis-scale Deformable DETR and DINO, KD-DETR boost the performance of student model with improvements of $2.6\%-5.2\%$. We further extend KD-DETR to heterogeneous distillation, and achieves $2.1\%$ improvement by distilling the knowledge from DINO to Faster R-CNN with ResNet-50, which is comparable with homogeneous distillation methods.The code is available at https://github.com/wennyuhey/KD-DETR.
comment: Accepted to CVPR 2024
♻ ☆ FGS-SLAM: Fourier-based Gaussian Splatting for Real-time SLAM with Sparse and Dense Map Fusion
3D gaussian splatting has advanced simultaneous localization and mapping (SLAM) technology by enabling real-time positioning and the construction of high-fidelity maps. However, the uncertainty in gaussian position and initialization parameters introduces challenges, often requiring extensive iterative convergence and resulting in redundant or insufficient gaussian representations. To address this, we introduce a novel adaptive densification method based on Fourier frequency domain analysis to establish gaussian priors for rapid convergence. Additionally, we propose constructing independent and unified sparse and dense maps, where a sparse map supports efficient tracking via Generalized Iterative Closest Point (GICP) and a dense map creates high-fidelity visual representations. This is the first SLAM system leveraging frequency domain analysis to achieve high-quality gaussian mapping in real-time. Experimental results demonstrate an average frame rate of 36 FPS on Replica and TUM RGB-D datasets, achieving competitive accuracy in both localization and mapping.
♻ ☆ TT3D: Table Tennis 3D Reconstruction
Sports analysis requires processing large amounts of data, which is time-consuming and costly. Advancements in neural networks have significantly alleviated this burden, enabling highly accurate ball tracking in sports broadcasts. However, relying solely on 2D ball tracking is limiting, as it depends on the camera's viewpoint and falls short of supporting comprehensive game analysis. To address this limitation, we propose a novel approach for reconstructing precise 3D ball trajectories from online table tennis match recordings. Our method leverages the underlying physics of the ball's motion to identify the bounce state that minimizes the reprojection error of the ball's flying trajectory, hence ensuring an accurate and reliable 3D reconstruction. A key advantage of our approach is its ability to infer ball spin without relying on human pose estimation or racket tracking, which are often unreliable or unavailable in broadcast footage. We developed an automated camera calibration method capable of reliably tracking camera movements. Additionally, we adapted an existing 3D pose estimation model, which lacks depth motion capture, to accurately track player movements. Together, these contributions enable the full 3D reconstruction of a table tennis rally.
comment: Accepted to CVSport 2025
♻ ☆ Matching-Free Depth Recovery from Structured Light
We introduce a novel approach for depth estimation using images obtained from monocular structured light systems. In contrast to many existing methods that depend on image matching, our technique employs a density voxel grid to represent scene geometry. This grid is trained through self-supervised differentiable volume rendering. Our method leverages color fields derived from the projected patterns in structured light systems during the rendering process, facilitating the isolated optimization of the geometry field. This innovative approach leads to faster convergence and high-quality results. Additionally, we integrate normalized device coordinates (NDC), a distortion loss, and a distinctive surface-based color loss to enhance geometric fidelity. Experimental results demonstrate that our method outperforms current matching-based techniques in terms of geometric performance in few-shot scenarios, achieving an approximately 30% reduction in average estimated depth errors for both synthetic scenes and real-world captured scenes. Moreover, our approach allows for rapid training, being approximately three times faster than previous matching-free methods that utilize implicit representations.
comment: 13 pages, 10 figures
♻ ☆ VideoRFT: Incentivizing Video Reasoning Capability in MLLMs via Reinforced Fine-Tuning
Reinforcement fine-tuning (RFT) has shown great promise in achieving humanlevel reasoning capabilities of Large Language Models (LLMs), and has recently been extended to MLLMs. Nevertheless, reasoning about videos, which is a fundamental aspect of human intelligence, remains a persistent challenge due to the complex logic, temporal and causal structures inherent in video data. To fill this gap, we propose VIDEORFT, a novel approach that extends the RFT paradigm to cultivate human-like video reasoning capabilities in MLLMs. VIDEORFT follows the standard two-stage scheme in RFT: supervised fine-tuning (SFT) with chain-of-thought (CoT) annotations, followed by reinforcement learning (RL) to improve generalization. A central challenge to achieve this in the video domain lies in the scarcity of large-scale, high-quality video CoT datasets. We address this by building a fully automatic CoT curation pipeline. First, we devise a cognitioninspired prompting strategy to elicit a reasoning LLM to generate preliminary CoTs based solely on rich, structured, and literal representations of video content. Subsequently, these CoTs are revised by a visual-language model conditioned on the actual video, ensuring visual consistency and reducing visual hallucinations. This pipeline results in two new datasets - VideoRFT-CoT-102K for SFT and VideoRFT-RL-310K for RL. To further strengthen the RL phase, we introduce a novel semantic-consistency reward that explicitly promotes the alignment between textual reasoning and visual evidence. This reward encourages the model to produce coherent, context-aware reasoning outputs grounded in visual input. Extensive experiments show that VIDEORFT achieves state-of-the-art performance on six video reasoning benchmarks.
comment: Code: https://github.com/QiWang98/VideoRFT
♻ ☆ Skin Color Measurement from Dermatoscopic Images: An Evaluation on a Synthetic Dataset
This paper presents a comprehensive evaluation of skin color measurement methods from dermatoscopic images using a synthetic dataset (S-SYNTH) with controlled ground-truth melanin content, lesion shapes, hair models, and 18 distinct lighting conditions. This allows for rigorous assessment of the robustness and invariance to lighting conditions. We assess four classes of image colorimetry approaches: segmentation-based, patch-based, color quantization, and neural networks. We use these methods to estimate the Individual Typology Angle (ITA) and Fitzpatrick types from dermatoscopic images. Our results show that segmentation-based and color quantization methods yield robust, lighting-invariant estimates, whereas patch-based approaches exhibit significant lighting-dependent biases that require calibration. Furthermore, neural network models, particularly when combined with heavy blurring to reduce overfitting, can provide light-invariant Fitzpatrick predictions, although their generalization to real-world images remains unverified. We conclude with practical recommendations for designing fair and reliable skin color estimation methods.
♻ ☆ ReconX: Reconstruct Any Scene from Sparse Views with Video Diffusion Model
Advancements in 3D scene reconstruction have transformed 2D images from the real world into 3D models, producing realistic 3D results from hundreds of input photos. Despite great success in dense-view reconstruction scenarios, rendering a detailed scene from insufficient captured views is still an ill-posed optimization problem, often resulting in artifacts and distortions in unseen areas. In this paper, we propose ReconX, a novel 3D scene reconstruction paradigm that reframes the ambiguous reconstruction challenge as a temporal generation task. The key insight is to unleash the strong generative prior of large pre-trained video diffusion models for sparse-view reconstruction. However, 3D view consistency struggles to be accurately preserved in directly generated video frames from pre-trained models. To address this, given limited input views, the proposed ReconX first constructs a global point cloud and encodes it into a contextual space as the 3D structure condition. Guided by the condition, the video diffusion model then synthesizes video frames that are both detail-preserved and exhibit a high degree of 3D consistency, ensuring the coherence of the scene from various perspectives. Finally, we recover the 3D scene from the generated video through a confidence-aware 3D Gaussian Splatting optimization scheme. Extensive experiments on various real-world datasets show the superiority of our ReconX over state-of-the-art methods in terms of quality and generalizability.
comment: Project page: https://liuff19.github.io/ReconX
♻ ☆ A Siamese Network to Detect If Two Iris Images Are Monozygotic
This study presents the first automated classifier designed to determine whether a pair of iris images originates from monozygotic individuals, addressing a previously untackled problem in biometric recognition. In Daugman-style iris recognition, the textures of the left and right irises of the same person are traditionally considered as being as different as the irises of two unrelated persons. However, previous research indicates that humans can detect that two iris images are from different eyes of the same person, or eyes of monozygotic twins, with an accuracy of about 80%. In this work, we employ a Siamese network architecture and contrastive learning to categorize a pair of iris images as coming from monozygotic or non-monozygotic irises. This could potentially be applied, for example, as a fast, noninvasive test to determine if twins are monozygotic or non-monozygotic. We construct a dataset comprising both synthetic monozygotic pairs (images of different irises of the same individual) and natural monozygotic pairs (images of different images from persons who are identical twins), in addition to non-monozygotic pairs from unrelated individuals, ensuring a comprehensive evaluation of the model's capabilities. To gain deeper insights into the learned representations, we train and analyze three variants of the model using (1) the original input images, (2) iris-only images (masking everything but the iris region), and (3) non-iris-only images (masking the iris region). This comparison reveals that both iris texture and surrounding ocular structure contain information useful for the model to classify the image pairs as monozygotic or non-monozygotic. Our approach achieves accuracy levels using the full iris image that exceed those previously reported for human classification of monozygotic iris pairs.
♻ ☆ EvDetMAV: Generalized MAV Detection from Moving Event Cameras
Existing micro aerial vehicle (MAV) detection methods mainly rely on the target's appearance features in RGB images, whose diversity makes it difficult to achieve generalized MAV detection. We notice that different types of MAVs share the same distinctive features in event streams due to their high-speed rotating propellers, which are hard to see in RGB images. This paper studies how to detect different types of MAVs from an event camera by fully exploiting the features of propellers in the original event stream. The proposed method consists of three modules to extract the salient and spatio-temporal features of the propellers while filtering out noise from background objects and camera motion. Since there are no existing event-based MAV datasets, we introduce a novel MAV dataset for the community. This is the first event-based MAV dataset comprising multiple scenarios and different types of MAVs. Without training, our method significantly outperforms state-of-the-art methods and can deal with challenging scenarios, achieving a precision rate of 83.0\% (+30.3\%) and a recall rate of 81.5\% (+36.4\%) on the proposed testing dataset. The dataset and code are available at: https://github.com/WindyLab/EvDetMAV.
comment: 8 pages, 7 figures. This paper is accepted by IEEE Robotics and Automation Letters
♻ ☆ TIIF-Bench: How Does Your T2I Model Follow Your Instructions?
The rapid advancements of Text-to-Image (T2I) models have ushered in a new phase of AI-generated content, marked by their growing ability to interpret and follow user instructions. However, existing T2I model evaluation benchmarks fall short in limited prompt diversity and complexity, as well as coarse evaluation metrics, making it difficult to evaluate the fine-grained alignment performance between textual instructions and generated images. In this paper, we present TIIF-Bench (Text-to-Image Instruction Following Benchmark), aiming to systematically assess T2I models' ability in interpreting and following intricate textual instructions. TIIF-Bench comprises a set of 5000 prompts organized along multiple dimensions, which are categorized into three levels of difficulties and complexities. To rigorously evaluate model robustness to varying prompt lengths, we provide a short and a long version for each prompt with identical core semantics. Two critical attributes, i.e., text rendering and style control, are introduced to evaluate the precision of text synthesis and the aesthetic coherence of T2I models. In addition, we collect 100 high-quality designer level prompts that encompass various scenarios to comprehensively assess model performance. Leveraging the world knowledge encoded in large vision language models, we propose a novel computable framework to discern subtle variations in T2I model outputs. Through meticulous benchmarking of mainstream T2I models on TIIF-Bench, we analyze the pros and cons of current T2I models and reveal the limitations of current T2I benchmarks. Project Page: https://a113n-w3i.github.io/TIIF_Bench/.
comment: 23 pages, 12 figures, 11 tables
♻ ☆ USP-Gaussian: Unifying Spike-based Image Reconstruction, Pose Correction and Gaussian Splatting
Spike cameras, as an innovative neuromorphic camera that captures scenes with the 0-1 bit stream at 40 kHz, are increasingly employed for the 3D reconstruction task via Neural Radiance Fields (NeRF) or 3D Gaussian Splatting (3DGS). Previous spike-based 3D reconstruction approaches often employ a casecased pipeline: starting with high-quality image reconstruction from spike streams based on established spike-to-image reconstruction algorithms, then progressing to camera pose estimation and 3D reconstruction. However, this cascaded approach suffers from substantial cumulative errors, where quality limitations of initial image reconstructions negatively impact pose estimation, ultimately degrading the fidelity of the 3D reconstruction. To address these issues, we propose a synergistic optimization framework, \textbf{USP-Gaussian}, that unifies spike-based image reconstruction, pose correction, and Gaussian splatting into an end-to-end framework. Leveraging the multi-view consistency afforded by 3DGS and the motion capture capability of the spike camera, our framework enables a joint iterative optimization that seamlessly integrates information between the spike-to-image network and 3DGS. Experiments on synthetic datasets with accurate poses demonstrate that our method surpasses previous approaches by effectively eliminating cascading errors. Moreover, we integrate pose optimization to achieve robust 3D reconstruction in real-world scenarios with inaccurate initial poses, outperforming alternative methods by effectively reducing noise and preserving fine texture details. Our code, data and trained models will be available at https://github.com/chenkang455/USP-Gaussian.
♻ ☆ VLN-R1: Vision-Language Navigation via Reinforcement Fine-Tuning
Vision-Language Navigation (VLN) is a core challenge in embodied AI, requiring agents to navigate real-world environments using natural language instructions. Current language model-based navigation systems operate on discrete topological graphs, limiting path planning to predefined node connections. We propose VLN-R1, an end-to-end framework that leverages Large Vision-Language Models (LVLM) to directly translate egocentric video streams into continuous navigation actions, adopting GRPO-based training inspired by DeepSeek-R1. To enable effective training, we first construct the VLN-Ego dataset using a 3D simulator, Habitat, and propose Long-Short Memory Sampling to balance historical and current observations. While large language models can supervise complete textual instructions, they lack fine-grained action-level control. Our framework employs a two-stage training approach: a) Supervised fine-tuning (SFT) to align the model's action sequence text predictions with expert demonstrations, followed by b) Reinforcement fine-tuning (RFT) enhanced with a Time-Decayed Reward (TDR) mechanism that strategically weights multi-step future actions. Experimental results show VLN-R1 achieves strong performance on VLN-CE benchmark. VLN-R1 proves LVLMs can drive embodied navigation and enhance task-specific reasoning through data-efficient, reward-driven post-training.
comment: project page: vlnr1.github.io
Machine Learning 204
☆ DemoDiffusion: One-Shot Human Imitation using pre-trained Diffusion Policy
We propose DemoDiffusion, a simple and scalable method for enabling robots to perform manipulation tasks in natural environments by imitating a single human demonstration. Our approach is based on two key insights. First, the hand motion in a human demonstration provides a useful prior for the robot's end-effector trajectory, which we can convert into a rough open-loop robot motion trajectory via kinematic retargeting. Second, while this retargeted motion captures the overall structure of the task, it may not align well with plausible robot actions in-context. To address this, we leverage a pre-trained generalist diffusion policy to modify the trajectory, ensuring it both follows the human motion and remains within the distribution of plausible robot actions. Our approach avoids the need for online reinforcement learning or paired human-robot data, enabling robust adaptation to new tasks and scenes with minimal manual effort. Experiments in both simulation and real-world settings show that DemoDiffusion outperforms both the base policy and the retargeted trajectory, enabling the robot to succeed even on tasks where the pre-trained generalist policy fails entirely. Project page: https://demodiffusion.github.io/
comment: Preprint(17 pages). Under Review
☆ Hear No Evil: Detecting Gradient Leakage by Malicious Servers in Federated Learning
Recent work has shown that gradient updates in federated learning (FL) can unintentionally reveal sensitive information about a client's local data. This risk becomes significantly greater when a malicious server manipulates the global model to provoke information-rich updates from clients. In this paper, we adopt a defender's perspective to provide the first comprehensive analysis of malicious gradient leakage attacks and the model manipulation techniques that enable them. Our investigation reveals a core trade-off: these attacks cannot be both highly effective in reconstructing private data and sufficiently stealthy to evade detection -- especially in realistic FL settings that incorporate common normalization techniques and federated averaging. Building on this insight, we argue that malicious gradient leakage attacks, while theoretically concerning, are inherently limited in practice and often detectable through basic monitoring. As a complementary contribution, we propose a simple, lightweight, and broadly applicable client-side detection mechanism that flags suspicious model updates before local training begins, despite the fact that such detection may not be strictly necessary in realistic FL settings. This mechanism further underscores the feasibility of defending against these attacks with minimal overhead, offering a deployable safeguard for privacy-conscious federated learning systems.
☆ Mastering Multiple-Expert Routing: Realizable $H$-Consistency and Strong Guarantees for Learning to Defer ICML 2025
The problem of learning to defer with multiple experts consists of optimally assigning input instances to experts, balancing the trade-off between their accuracy and computational cost. This is a critical challenge in natural language generation, but also in other fields such as image processing, and medical diagnostics. Recent studies have proposed surrogate loss functions to optimize deferral, but challenges remain in ensuring their consistency properties. This paper introduces novel surrogate loss functions and efficient algorithms with strong theoretical learning guarantees. We address open questions regarding realizable $H$-consistency, $H$-consistency bounds, and Bayes-consistency for both single-stage (jointly learning predictor and deferral function) and two-stage (learning only the deferral function with a fixed expert) learning scenarios. For single-stage deferral, we introduce a family of new realizable $H$-consistent surrogate losses and further prove $H$-consistency for a selected member. For two-stage deferral, we derive new surrogate losses that achieve realizable $H$-consistency, $H$-consistency bounds, and Bayes-consistency for the two-expert scenario and, under natural assumptions, multiple-expert scenario. Additionally, we provide enhanced theoretical guarantees under low-noise assumptions for both scenarios. Finally, we report the results of experiments using our proposed surrogate losses, comparing their performance against existing baselines.
comment: ICML 2025
☆ Disentangled representations of microscopy images
Microscopy image analysis is fundamental for different applications, from diagnosis to synthetic engineering and environmental monitoring. Modern acquisition systems have granted the possibility to acquire an escalating amount of images, requiring a consequent development of a large collection of deep learning-based automatic image analysis methods. Although deep neural networks have demonstrated great performance in this field, interpretability, an essential requirement for microscopy image analysis, remains an open challenge. This work proposes a Disentangled Representation Learning (DRL) methodology to enhance model interpretability for microscopy image classification. Exploiting benchmark datasets from three different microscopic image domains (plankton, yeast vacuoles, and human cells), we show how a DRL framework, based on transferring a representation learnt from synthetic data, can provide a good trade-off between accuracy and interpretability in this domain.
comment: Published in: International Joint Conference on Neural Networks (IJCNN 2025). Project page: https://github.com/JacopoDapueto/disentangled_microscopy
☆ Efficient Federated Learning with Encrypted Data Sharing for Data-Heterogeneous Edge Devices
As privacy protection gains increasing importance, more models are being trained on edge devices and subsequently merged into the central server through Federated Learning (FL). However, current research overlooks the impact of network topology, physical distance, and data heterogeneity on edge devices, leading to issues such as increased latency and degraded model performance. To address these issues, we propose a new federated learning scheme on edge devices that called Federated Learning with Encrypted Data Sharing(FedEDS). FedEDS uses the client model and the model's stochastic layer to train the data encryptor. The data encryptor generates encrypted data and shares it with other clients. The client uses the corresponding client's stochastic layer and encrypted data to train and adjust the local model. FedEDS uses the client's local private data and encrypted shared data from other clients to train the model. This approach accelerates the convergence speed of federated learning training and mitigates the negative impact of data heterogeneity, making it suitable for application services deployed on edge devices requiring rapid convergence. Experiments results show the efficacy of FedEDS in promoting model performance.
comment: Accepted by ICWS 2025
☆ Towards Community-Driven Agents for Machine Learning Engineering
Large language model-based machine learning (ML) agents have shown great promise in automating ML research. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where human researchers often gain insights and contribute by sharing knowledge. To bridge this gap, we introduce MLE-Live, a live evaluation framework designed to assess an agent's ability to communicate with and leverage collective knowledge from a simulated Kaggle research community. Building on this framework, we propose CoMind, a novel agent that excels at exchanging insights and developing novel solutions within a community context. CoMind achieves state-of-the-art performance on MLE-Live and outperforms 79.2% human competitors on average across four ongoing Kaggle competitions. Our code is released at https://github.com/comind-ml/CoMind.
☆ First-order methods for stochastic and finite-sum convex optimization with deterministic constraints
In this paper, we study a class of stochastic and finite-sum convex optimization problems with deterministic constraints. Existing methods typically aim to find an $\epsilon$-$expectedly\ feasible\ stochastic\ optimal$ solution, in which the expected constraint violation and expected optimality gap are both within a prescribed tolerance $\epsilon$. However, in many practical applications, constraints must be nearly satisfied with certainty, rendering such solutions potentially unsuitable due to the risk of substantial violations. To address this issue, we propose stochastic first-order methods for finding an $\epsilon$-$surely\ feasible\ stochastic\ optimal$ ($\epsilon$-SFSO) solution, where the constraint violation is deterministically bounded by $\epsilon$ and the expected optimality gap is at most $\epsilon$. Our methods apply an accelerated stochastic gradient (ASG) scheme or a modified variance-reduced ASG scheme $only\ once$ to a sequence of quadratic penalty subproblems with appropriately chosen penalty parameters. We establish first-order oracle complexity bounds for the proposed methods in computing an $\epsilon$-SFSO solution. As a byproduct, we also derive first-order oracle complexity results for sample average approximation method in computing an $\epsilon$-SFSO solution of the stochastic optimization problem using our proposed methods to solve the sample average problem.
comment: 41 pages
☆ PLoP: Precise LoRA Placement for Efficient Finetuning of Large Models
Low-Rank Adaptation (LoRA) is a widely used finetuning method for large models. Its small memory footprint allows practitioners to adapt large models to specific tasks at a fraction of the cost of full finetuning. Different modifications have been proposed to enhance its efficiency by, for example, setting the learning rate, the rank, and the initialization. Another improvement axis is adapter placement strategy: when using LoRA, practitioners usually pick module types to adapt with LoRA, such as Query and Key modules. Few works have studied the problem of adapter placement, with nonconclusive results: original LoRA paper suggested placing adapters in attention modules, while other works suggested placing them in the MLP modules. Through an intuitive theoretical analysis, we introduce PLoP (Precise LoRA Placement), a lightweight method that allows automatic identification of module types where LoRA adapters should be placed, given a pretrained model and a finetuning task. We demonstrate that PLoP consistently outperforms, and in the worst case competes, with commonly used placement strategies through comprehensive experiments on supervised finetuning and reinforcement learning for reasoning.
comment: TD,LR: A lightweight module type selection method for LoRA finetuning. PLoP gives precise placements for LoRA adapters for improved performance
☆ Lost in Retraining: Roaming the Parameter Space of Exponential Families Under Closed-Loop Learning
Closed-loop learning is the process of repeatedly estimating a model from data generated from the model itself. It is receiving great attention due to the possibility that large neural network models may, in the future, be primarily trained with data generated by artificial neural networks themselves. We study this process for models that belong to exponential families, deriving equations of motions that govern the dynamics of the parameters. We show that maximum likelihood estimation of the parameters endows sufficient statistics with the martingale property and that as a result the process converges to absorbing states that amplify initial biases present in the data. However, we show that this outcome may be prevented by polluting the data with an infinitesimal fraction of data points generated from a fixed model, by relying on maximum a posteriori estimation or by introducing regularisation. Furthermore, we show that the asymptotic behavior of the dynamics is not reparametrisation invariant.
comment: 13 pages, 2 figures
☆ H-FEX: A Symbolic Learning Method for Hamiltonian Systems
Hamiltonian systems describe a broad class of dynamical systems governed by Hamiltonian functions, which encode the total energy and dictate the evolution of the system. Data-driven approaches, such as symbolic regression and neural network-based methods, provide a means to learn the governing equations of dynamical systems directly from observational data of Hamiltonian systems. However, these methods often struggle to accurately capture complex Hamiltonian functions while preserving energy conservation. To overcome this limitation, we propose the Finite Expression Method for learning Hamiltonian Systems (H-FEX), a symbolic learning method that introduces novel interaction nodes designed to capture intricate interaction terms effectively. Our experiments, including those on highly stiff dynamical systems, demonstrate that H-FEX can recover Hamiltonian functions of complex systems that accurately capture system dynamics and preserve energy over long time horizons. These findings highlight the potential of H-FEX as a powerful framework for discovering closed-form expressions of complex dynamical systems.
comment: 16 pages, 7 figures
☆ The kernel of graph indices for vector search
The most popular graph indices for vector search use principles from computational geometry to build the graph. Hence, their formal graph navigability guarantees are only valid in Euclidean space. In this work, we show that machine learning can be used to build graph indices for vector search in metric and non-metric vector spaces (e.g., for inner product similarity). From this novel perspective, we introduce the Support Vector Graph (SVG), a new type of graph index that leverages kernel methods to establish the graph connectivity and that comes with formal navigability guarantees valid in metric and non-metric vector spaces. In addition, we interpret the most popular graph indices, including HNSW and DiskANN, as particular specializations of SVG and show that new indices can be derived from the principles behind this specialization. Finally, we propose SVG-L0 that incorporates an $\ell_0$ sparsity constraint into the SVG kernel method to build graphs with a bounded out-degree. This yields a principled way of implementing this practical requirement, in contrast to the traditional heuristic of simply truncating the out edges of each node. Additionally, we show that SVG-L0 has a self-tuning property that avoids the heuristic of using a set of candidates to find the out-edges of each node and that keeps its computational complexity in check.
☆ Causal Representation Learning with Observational Grouping for CXR Classification
Identifiable causal representation learning seeks to uncover the true causal relationships underlying a data generation process. In medical imaging, this presents opportunities to improve the generalisability and robustness of task-specific latent features. This work introduces the concept of grouping observations to learn identifiable representations for disease classification in chest X-rays via an end-to-end framework. Our experiments demonstrate that these causal representations improve generalisability and robustness across multiple classification tasks when grouping is used to enforce invariance w.r.t race, sex, and imaging views.
☆ Exploring Graph-Transformer Out-of-Distribution Generalization Abilities
Deep learning on graphs has shown remarkable success across numerous applications, including social networks, bio-physics, traffic networks, and recommendation systems. Regardless of their successes, current methods frequently depend on the assumption that training and testing data share the same distribution, a condition rarely met in real-world scenarios. While graph-transformer (GT) backbones have recently outperformed traditional message-passing neural networks (MPNNs) in multiple in-distribution (ID) benchmarks, their effectiveness under distribution shifts remains largely unexplored. In this work, we address the challenge of out-of-distribution (OOD) generalization for graph neural networks, with a special focus on the impact of backbone architecture. We systematically evaluate GT and hybrid backbones in OOD settings and compare them to MPNNs. To do so, we adapt several leading domain generalization (DG) algorithms to work with GTs and assess their performance on a benchmark designed to test a variety of distribution shifts. Our results reveal that GT and hybrid GT-MPNN backbones consistently demonstrate stronger generalization ability compared to MPNNs, even without specialized DG algorithms. Additionally, we propose a novel post-training analysis approach that compares the clustering structure of the entire ID and OOD test datasets, specifically examining domain alignment and class separation. Demonstrating its model-agnostic design, this approach not only provided meaningful insights into GT and MPNN backbones. It also shows promise for broader applicability to DG problems beyond graph learning, offering a deeper perspective on generalization abilities that goes beyond standard accuracy metrics. Together, our findings highlight the promise of graph-transformers for robust, real-world graph learning and set a new direction for future research in OOD generalization.
☆ Benchmarking Unsupervised Strategies for Anomaly Detection in Multivariate Time Series VLDB 2026
Anomaly detection in multivariate time series is an important problem across various fields such as healthcare, financial services, manufacturing or physics detector monitoring. Accurately identifying when unexpected errors or faults occur is essential, yet challenging, due to the unknown nature of anomalies and the complex interdependencies between time series dimensions. In this paper, we investigate transformer-based approaches for time series anomaly detection, focusing on the recently proposed iTransformer architecture. Our contributions are fourfold: (i) we explore the application of the iTransformer to time series anomaly detection, and analyse the influence of key parameters such as window size, step size, and model dimensions on performance; (ii) we examine methods for extracting anomaly labels from multidimensional anomaly scores and discuss appropriate evaluation metrics for such labels; (iii) we study the impact of anomalous data present during training and assess the effectiveness of alternative loss functions in mitigating their influence; and (iv) we present a comprehensive comparison of several transformer-based models across a diverse set of datasets for time series anomaly detection.
comment: Submitted to VLDB 2026 conference, currently under review
☆ LARP: Learner-Agnostic Robust Data Prefiltering
The widespread availability of large public datasets is a key factor behind the recent successes of statistical inference and machine learning methods. However, these datasets often contain some low-quality or contaminated data, to which many learning procedures are sensitive. Therefore, the question of whether and how public datasets should be prefiltered to facilitate accurate downstream learning arises. On a technical level this requires the construction of principled data prefiltering methods which are learner-agnostic robust, in the sense of provably protecting a set of pre-specified downstream learners from corrupted data. In this work, we formalize the problem of Learner-Agnostic Robust data Prefiltering (LARP), which aims at finding prefiltering procedures that minimize a worst-case loss over a pre-specified set of learners. We first instantiate our framework in the context of scalar mean estimation with Huber estimators under the Huber data contamination model. We provide a hardness result on a specific problem instance and analyze several natural prefiltering procedures. Our theoretical results indicate that performing LARP on a heterogeneous set of learners leads to some loss in model performance compared to the alternative of prefiltering data for each learner/use-case individually. We explore the resulting utility loss and its dependence on the problem parameters via extensive experiments on real-world image and tabular data, observing statistically significant reduction in utility. Finally, we model the trade-off between the utility drop and the cost of repeated (learner-specific) prefiltering within a game-theoretic framework and showcase benefits of LARP for large datasets.
☆ Reinforcement Learning Increases Wind Farm Power Production by Enabling Closed-Loop Collaborative Control
Traditional wind farm control operates each turbine independently to maximize individual power output. However, coordinated wake steering across the entire farm can substantially increase the combined wind farm energy production. Although dynamic closed-loop control has proven effective in flow control applications, wind farm optimization has relied primarily on static, low-fidelity simulators that ignore critical turbulent flow dynamics. In this work, we present the first reinforcement learning (RL) controller integrated directly with high-fidelity large-eddy simulation (LES), enabling real-time response to atmospheric turbulence through collaborative, dynamic control strategies. Our RL controller achieves a 4.30% increase in wind farm power output compared to baseline operation, nearly doubling the 2.19% gain from static optimal yaw control obtained through Bayesian optimization. These results establish dynamic flow-responsive control as a transformative approach to wind farm optimization, with direct implications for accelerating renewable energy deployment to net-zero targets.
☆ Pay Less Attention to Deceptive Artifacts: Robust Detection of Compressed Deepfakes on Online Social Networks
With the rapid advancement of deep learning, particularly through generative adversarial networks (GANs) and diffusion models (DMs), AI-generated images, or ``deepfakes", have become nearly indistinguishable from real ones. These images are widely shared across Online Social Networks (OSNs), raising concerns about their misuse. Existing deepfake detection methods overlook the ``block effects" introduced by compression in OSNs, which obscure deepfake artifacts, and primarily focus on raw images, rarely encountered in real-world scenarios. To address these challenges, we propose PLADA (Pay Less Attention to Deceptive Artifacts), a novel framework designed to tackle the lack of paired data and the ineffective use of compressed images. PLADA consists of two core modules: Block Effect Eraser (B2E), which uses a dual-stage attention mechanism to handle block effects, and Open Data Aggregation (ODA), which processes both paired and unpaired data to improve detection. Extensive experiments across 26 datasets demonstrate that PLADA achieves a remarkable balance in deepfake detection, outperforming SoTA methods in detecting deepfakes on OSNs, even with limited paired data and compression. More importantly, this work introduces the ``block effect" as a critical factor in deepfake detection, providing a robust solution for open-world scenarios. Our code is available at https://github.com/ManyiLee/PLADA.
comment: 20 pages, 10 figures
☆ Demonstration of effective UCB-based routing in skill-based queues on real-world data
This paper is about optimally controlling skill-based queueing systems such as data centers, cloud computing networks, and service systems. By means of a case study using a real-world data set, we investigate the practical implementation of a recently developed reinforcement learning algorithm for optimal customer routing. Our experiments show that the algorithm efficiently learns and adapts to changing environments and outperforms static benchmark policies, indicating its potential for live implementation. We also augment the real-world applicability of this algorithm by introducing a new heuristic routing rule to reduce delays. Moreover, we show that the algorithm can optimize for multiple objectives: next to payoff maximization, secondary objectives such as server load fairness and customer waiting time reduction can be incorporated. Tuning parameters are used for balancing inherent performance trade--offs. Lastly, we investigate the sensitivity to estimation errors and parameter tuning, providing valuable insights for implementing adaptive routing algorithms in complex real-world queueing systems.
☆ Physics-Informed Machine Learning Regulated by Finite Element Analysis for Simulation Acceleration of Laser Powder Bed Fusion
Efficient simulation of Laser Powder Bed Fusion (LPBF) is crucial for process prediction due to the lasting issue of high computation cost using traditional numerical methods such as finite element analysis (FEA). This study presents an efficient modeling framework termed FEA-Regulated Physics-Informed Neural Network (FEA-PINN) to accelerate the thermal field prediction in a LPBF process while maintaining the FEA accuracy. A novel dynamic material updating strategy is developed to capture the dynamic phase change of powder-liquid-solid in the PINN model. The PINN model incorporates temperature-dependent material properties and phase change behavior using the apparent heat capacity method. While the PINN model demonstrates high accuracy with a small training data and enables generalization of new process parameters via transfer learning, it faces the challenge of high computation cost in time-dependent problems due to the residual accumulation. To overcome this issue, the FEA-PINN framework integrates corrective FEA simulations during inference to enforce physical consistency and reduce error drift. A comparative analysis shows that FEA-PINN achieves equivalent accuracy to FEA while significantly reducing computational cost. The framework has been validated using the benchmark FEA data and demonstrated through single-track scanning in LPBF.
☆ WattsOnAI: Measuring, Analyzing, and Visualizing Energy and Carbon Footprint of AI Workloads
The rapid advancement of AI, particularly large language models (LLMs), has raised significant concerns about the energy use and carbon emissions associated with model training and inference. However, existing tools for measuring and reporting such impacts are often fragmented, lacking systematic metric integration and offering limited support for correlation analysis among them. This paper presents WattsOnAI, a comprehensive software toolkit for the measurement, analysis, and visualization of energy use, power draw, hardware performance, and carbon emissions across AI workloads. By seamlessly integrating with existing AI frameworks, WattsOnAI offers standardized reports and exports fine-grained time-series data to support benchmarking and reproducibility in a lightweight manner. It further enables in-depth correlation analysis between hardware metrics and model performance and thus facilitates bottleneck identification and performance enhancement. By addressing critical limitations in existing tools, WattsOnAI encourages the research community to weigh environmental impact alongside raw performance of AI workloads and advances the shift toward more sustainable "Green AI" practices. The code is available at https://github.com/SusCom-Lab/WattsOnAI.
comment: 11 pages, 7 figures and 5 tables
☆ Global Convergence of Iteratively Reweighted Least Squares for Robust Subspace Recovery
Robust subspace estimation is fundamental to many machine learning and data analysis tasks. Iteratively Reweighted Least Squares (IRLS) is an elegant and empirically effective approach to this problem, yet its theoretical properties remain poorly understood. This paper establishes that, under deterministic conditions, a variant of IRLS with dynamic smoothing regularization converges linearly to the underlying subspace from any initialization. We extend these guarantees to affine subspace estimation, a setting that lacks prior recovery theory. Additionally, we illustrate the practical benefits of IRLS through an application to low-dimensional neural network training. Our results provide the first global convergence guarantees for IRLS in robust subspace recovery and, more broadly, for nonconvex IRLS on a Riemannian manifold.
☆ Industrial Energy Disaggregation with Digital Twin-generated Dataset and Efficient Data Augmentation
Industrial Non-Intrusive Load Monitoring (NILM) is limited by the scarcity of high-quality datasets and the complex variability of industrial energy consumption patterns. To address data scarcity and privacy issues, we introduce the Synthetic Industrial Dataset for Energy Disaggregation (SIDED), an open-source dataset generated using Digital Twin simulations. SIDED includes three types of industrial facilities across three different geographic locations, capturing diverse appliance behaviors, weather conditions, and load profiles. We also propose the Appliance-Modulated Data Augmentation (AMDA) method, a computationally efficient technique that enhances NILM model generalization by intelligently scaling appliance power contributions based on their relative impact. We show in experiments that NILM models trained with AMDA-augmented data significantly improve the disaggregation of energy consumption of complex industrial appliances like combined heat and power systems. Specifically, in our out-of-sample scenarios, models trained with AMDA achieved a Normalized Disaggregation Error of 0.093, outperforming models trained without data augmentation (0.451) and those trained with random data augmentation (0.290). Data distribution analyses confirm that AMDA effectively aligns training and test data distributions, enhancing model generalization.
☆ Asymmetric REINFORCE for off-Policy Reinforcement Learning: Balancing positive and negative rewards
Reinforcement learning (RL) is increasingly used to align large language models (LLMs). Off-policy methods offer greater implementation simplicity and data efficiency than on-policy techniques, but often result in suboptimal performance. In this work, we study the intermediate range of algorithms between off-policy RL and supervised fine-tuning by analyzing a simple off-policy REINFORCE algorithm, where the advantage is defined as $A=r-V$, with $r$ a reward and $V$ some tunable baseline. Intuitively, lowering $V$ emphasizes high-reward samples, while raising it penalizes low-reward ones more heavily. We first provide a theoretical analysis of this off-policy REINFORCE algorithm, showing that when the baseline $V$ lower-bounds the expected reward, the algorithm enjoys a policy improvement guarantee. Our analysis reveals that while on-policy updates can safely leverage both positive and negative signals, off-policy updates benefit from focusing more on positive rewards than on negative ones. We validate our findings experimentally in a controlled stochastic bandit setting and through fine-tuning state-of-the-art LLMs on reasoning tasks.
☆ WallStreetFeds: Client-Specific Tokens as Investment Vehicles in Federated Learning
Federated Learning (FL) is a collaborative machine learning paradigm which allows participants to collectively train a model while training data remains private. This paradigm is especially beneficial for sectors like finance, where data privacy, security and model performance are paramount. FL has been extensively studied in the years following its introduction, leading to, among others, better performing collaboration techniques, ways to defend against other clients trying to attack the model, and contribution assessment methods. An important element in for-profit Federated Learning is the development of incentive methods to determine the allocation and distribution of rewards for participants. While numerous methods for allocation have been proposed and thoroughly explored, distribution frameworks remain relatively understudied. In this paper, we propose a novel framework which introduces client-specific tokens as investment vehicles within the FL ecosystem. Our framework aims to address the limitations of existing incentive schemes by leveraging a decentralized finance (DeFi) platform and automated market makers (AMMs) to create a more flexible and scalable reward distribution system for participants, and a mechanism for third parties to invest in the federation learning process.
☆ Fast ground penetrating radar dual-parameter full waveform inversion method accelerated by hybrid compilation of CUDA kernel function and PyTorch
This study proposes a high-performance dual-parameter full waveform inversion framework (FWI) for ground-penetrating radar (GPR), accelerated through the hybrid compilation of CUDA kernel functions and PyTorch. The method leverages the computational efficiency of GPU programming while preserving the flexibility and usability of Python-based deep learning frameworks. By integrating customized CUDA kernels into PyTorch's automatic differentiation mechanism, the framework enables accurate and efficient inversion of both dielectric permittivity and electrical conductivity. Experimental evaluations on synthetic data and real wavefield data demonstrate that the proposed method achieves dual-parameter FWI for GPR data while maintaining high accuracy. Moreover, the framework is flexible and extensible, supporting optional regularization strategies such as total variation and multi-scale inversion. These features make the proposed approach a practical and scalable framework for rapid GPR-based subsurface imaging in applications including civil engineering, environmental monitoring, and geophysical exploration.
☆ OctoThinker: Mid-training Incentivizes Reinforcement Learning Scaling
Different base language model families, such as Llama and Qwen, exhibit divergent behaviors during post-training with reinforcement learning (RL), especially on reasoning-intensive tasks. What makes a base language model suitable for reinforcement learning? Gaining deeper insight into this question is essential for developing RL-scalable foundation models of the next generation. In this work, we investigate how mid-training strategies shape RL dynamics, focusing on two representative model families: Qwen and Llama. Our study reveals that (1) high-quality mathematical corpora, such as MegaMath-Web-Pro, significantly improve both base model and RL performance, while existing alternatives (e.g., FineMath-4plus) fail to do so; (2) further adding QA-style data, particularly long chain-of-thought (CoT) reasoning examples, enhances RL outcomes, and instruction data further unlocks this effect; (3) while long-CoT improves reasoning depth, it can also induce verbosity of model responses and unstability of RL training, underscoring the importance of data formatting; (4) scaling mid-training consistently leads to stronger downstream RL performance. Building on these insights, we introduce a two-stage mid-training strategy, Stable-then-Decay, in which base models are first trained on 200B tokens with a constant learning rate, followed by 20B tokens across three CoT-focused branches with learning rate decay. This yields OctoThinker, a family of models demonstrating strong RL compatibility and closing the performance gap with more RL-friendly model families, i.e., Qwen. We hope our work will help shape pre-training strategies for foundation models in the RL era. To support further research, we release our open-source models along with a curated math reasoning-intensive corpus of over 70 billion tokens (i.e., MegaMath-Web-Pro-Max).
comment: 26 pages; The first three authors contribute to this work equally
☆ Collaborative Batch Size Optimization for Federated Learning
Federated Learning (FL) is a decentralized collaborative Machine Learning framework for training models without collecting data in a centralized location. It has seen application across various disciplines, from helping medical diagnoses in hospitals to detecting fraud in financial transactions. In this paper, we focus on improving the local training process through hardware usage optimization. While participants in a federation might share the hardware they are training on, since there is no information exchange between them, their training process can be hindered by an improper training configuration. Taking advantage of the parallel processing inherent to Federated Learning, we use a greedy randomized search to optimize local batch sizes for the best training settings across all participants. Our results show that against default parameter settings, our method improves convergence speed while staying nearly on par with the case where local parameters are optimized.
☆ Unidentified and Confounded? Understanding Two-Tower Models for Unbiased Learning to Rank
Additive two-tower models are popular learning-to-rank methods for handling biased user feedback in industry settings. Recent studies, however, report a concerning phenomenon: training two-tower models on clicks collected by well-performing production systems leads to decreased ranking performance. This paper investigates two recent explanations for this observation: confounding effects from logging policies and model identifiability issues. We theoretically analyze the identifiability conditions of two-tower models, showing that either document swaps across positions or overlapping feature distributions are required to recover model parameters from clicks. We also investigate the effect of logging policies on two-tower models, finding that they introduce no bias when models perfectly capture user behavior. However, logging policies can amplify biases when models imperfectly capture user behavior, particularly when prediction errors correlate with document placement across positions. We propose a sample weighting technique to mitigate these effects and provide actionable insights for researchers and practitioners using two-tower models.
☆ ReCode: Updating Code API Knowledge with Reinforcement Learning
Large Language Models (LLMs) exhibit remarkable code generation capabilities but falter when adapting to frequent updates in external library APIs. This critical limitation, stemming from reliance on outdated API knowledge from their training data, even with access to current documentation, impedes reliable code generation in dynamic environments. To tackle this issue, we propose ReCode (rule-based Reinforcement learning for Code Update), a novel framework that mimics human programmer adaptation to API changes. Specifically, we construct a dataset of approximately 2,000 data entries to train the LLMs to perform version migration based on updated information. Then, we introduce a modified string similarity metric for code evaluation as the reward for reinforcement learning. Our experiments demonstrate that ReCode substantially boosts LLMs' code generation performance in dynamic API scenarios, especially on the unseen CodeUpdateArena task. Crucially, compared to supervised fine-tuning, ReCode has less impact on LLMs' general code generation abilities. We apply ReCode on various LLMs and reinforcement learning algorithms (GRPO and DAPO), all achieving consistent improvements. Notably, after training, Qwen2.5-Coder-7B outperforms that of the 32B parameter code instruction-tuned model and the reasoning model with the same architecture. Code is available at https://github.com/zjunlp/ReCode.
comment: Work in progress
☆ Multimodal Representation Learning and Fusion
Multi-modal learning is a fast growing area in artificial intelligence. It tries to help machines understand complex things by combining information from different sources, like images, text, and audio. By using the strengths of each modality, multi-modal learning allows AI systems to build stronger and richer internal representations. These help machines better interpretation, reasoning, and making decisions in real-life situations. This field includes core techniques such as representation learning (to get shared features from different data types), alignment methods (to match information across modalities), and fusion strategies (to combine them by deep learning models). Although there has been good progress, some major problems still remain. Like dealing with different data formats, missing or incomplete inputs, and defending against adversarial attacks. Researchers now are exploring new methods, such as unsupervised or semi-supervised learning, AutoML tools, to make models more efficient and easier to scale. And also more attention on designing better evaluation metrics or building shared benchmarks, make it easier to compare model performance across tasks and domains. As the field continues to grow, multi-modal learning is expected to improve many areas: computer vision, natural language processing, speech recognition, and healthcare. In the future, it may help to build AI systems that can understand the world in a way more like humans, flexible, context aware, and able to deal with real-world complexity.
☆ Counterfactual Influence as a Distributional Quantity ICML 2025
Machine learning models are known to memorize samples from their training data, raising concerns around privacy and generalization. Counterfactual self-influence is a popular metric to study memorization, quantifying how the model's prediction for a sample changes depending on the sample's inclusion in the training dataset. However, recent work has shown memorization to be affected by factors beyond self-influence, with other training samples, in particular (near-)duplicates, having a large impact. We here study memorization treating counterfactual influence as a distributional quantity, taking into account how all training samples influence how a sample is memorized. For a small language model, we compute the full influence distribution of training samples on each other and analyze its properties. We find that solely looking at self-influence can severely underestimate tangible risks associated with memorization: the presence of (near-)duplicates seriously reduces self-influence, while we find these samples to be (near-)extractable. We observe similar patterns for image classification, where simply looking at the influence distributions reveals the presence of near-duplicates in CIFAR-10. Our findings highlight that memorization stems from complex interactions across training data and is better captured by the full influence distribution than by self-influence alone.
comment: Workshop on The Impact of Memorization on Trustworthy Foundation Models (MemFM) @ ICML 2025
☆ HiWave: Training-Free High-Resolution Image Generation via Wavelet-Based Diffusion Sampling
Diffusion models have emerged as the leading approach for image synthesis, demonstrating exceptional photorealism and diversity. However, training diffusion models at high resolutions remains computationally prohibitive, and existing zero-shot generation techniques for synthesizing images beyond training resolutions often produce artifacts, including object duplication and spatial incoherence. In this paper, we introduce HiWave, a training-free, zero-shot approach that substantially enhances visual fidelity and structural coherence in ultra-high-resolution image synthesis using pretrained diffusion models. Our method employs a two-stage pipeline: generating a base image from the pretrained model followed by a patch-wise DDIM inversion step and a novel wavelet-based detail enhancer module. Specifically, we first utilize inversion methods to derive initial noise vectors that preserve global coherence from the base image. Subsequently, during sampling, our wavelet-domain detail enhancer retains low-frequency components from the base image to ensure structural consistency, while selectively guiding high-frequency components to enrich fine details and textures. Extensive evaluations using Stable Diffusion XL demonstrate that HiWave effectively mitigates common visual artifacts seen in prior methods, achieving superior perceptual quality. A user study confirmed HiWave's performance, where it was preferred over the state-of-the-art alternative in more than 80% of comparisons, highlighting its effectiveness for high-quality, ultra-high-resolution image synthesis without requiring retraining or architectural modifications.
☆ Automatic Demonstration Selection for LLM-based Tabular Data Classification
A fundamental question in applying In-Context Learning (ICL) for tabular data classification is how to determine the ideal number of demonstrations in the prompt. This work addresses this challenge by presenting an algorithm to automatically select a reasonable number of required demonstrations. Our method distinguishes itself by integrating not only the tabular data's distribution but also the user's selected prompt template and the specific Large Language Model (LLM) into its estimation. Rooted in Spectral Graph Theory, our proposed algorithm defines a novel metric to quantify the similarities between different demonstrations. We then construct a similarity graph and analyze the eigenvalues of its Laplacian to derive the minimum number of demonstrations capable of representing the data within the LLM's intrinsic representation space. We validate the efficacy of our approach through experiments comparing its performance against conventional random selection algorithms on diverse datasets and LLMs.
☆ Méthode de quadrature pour les PINNs fondée théoriquement sur la hessienne des résiduels
Physics-informed Neural Networks (PINNs) have emerged as an efficient way to learn surrogate neural solvers of PDEs by embedding the physical model in the loss function and minimizing its residuals using automatic differentiation at so-called collocation points. Originally uniformly sampled, the choice of the latter has been the subject of recent advances leading to adaptive sampling refinements. In this paper, we propose a new quadrature method for approximating definite integrals based on the hessian of the considered function, and that we leverage to guide the selection of the collocation points during the training process of PINNs.
comment: 10 pages. In French. Comments are welcome
☆ Tackling Data Heterogeneity in Federated Learning through Knowledge Distillation with Inequitable Aggregation
Federated learning aims to train a global model in a distributed environment that is close to the performance of centralized training. However, issues such as client label skew, data quantity skew, and other heterogeneity problems severely degrade the model's performance. Most existing methods overlook the scenario where only a small portion of clients participate in training within a large-scale client setting, whereas our experiments show that this scenario presents a more challenging federated learning task. Therefore, we propose a Knowledge Distillation with teacher-student Inequitable Aggregation (KDIA) strategy tailored to address the federated learning setting mentioned above, which can effectively leverage knowledge from all clients. In KDIA, the student model is the average aggregation of the participating clients, while the teacher model is formed by a weighted aggregation of all clients based on three frequencies: participation intervals, participation counts, and data volume proportions. During local training, self-knowledge distillation is performed. Additionally, we utilize a generator trained on the server to generate approximately independent and identically distributed (IID) data features locally for auxiliary training. We conduct extensive experiments on the CIFAR-10/100/CINIC-10 datasets and various heterogeneous settings to evaluate KDIA. The results show that KDIA can achieve better accuracy with fewer rounds of training, and the improvement is more significant under severe heterogeneity.
comment: 33pages,8figures
☆ Scalable Subset Selection in Linear Mixed Models
Linear mixed models (LMMs), which incorporate fixed and random effects, are key tools for analyzing heterogeneous data, such as in personalized medicine or adaptive marketing. Nowadays, this type of data is increasingly wide, sometimes containing thousands of candidate predictors, necessitating sparsity for prediction and interpretation. However, existing sparse learning methods for LMMs do not scale well beyond tens or hundreds of predictors, leaving a large gap compared with sparse methods for linear models, which ignore random effects. This paper closes the gap with a new $\ell_0$ regularized method for LMM subset selection that can run on datasets containing thousands of predictors in seconds to minutes. On the computational front, we develop a coordinate descent algorithm as our main workhorse and provide a guarantee of its convergence. We also develop a local search algorithm to help traverse the nonconvex optimization surface. Both algorithms readily extend to subset selection in generalized LMMs via a penalized quasi-likelihood approximation. On the statistical front, we provide a finite-sample bound on the Kullback-Leibler divergence of the new method. We then demonstrate its excellent performance in synthetic experiments and illustrate its utility on two datasets from biology and journalism.
☆ Off-Policy Evaluation and Learning for the Future under Non-Stationarity
We study the novel problem of future off-policy evaluation (F-OPE) and learning (F-OPL) for estimating and optimizing the future value of policies in non-stationary environments, where distributions vary over time. In e-commerce recommendations, for instance, our goal is often to estimate and optimize the policy value for the upcoming month using data collected by an old policy in the previous month. A critical challenge is that data related to the future environment is not observed in the historical data. Existing methods assume stationarity or depend on restrictive reward-modeling assumptions, leading to significant bias. To address these limitations, we propose a novel estimator named \textit{\textbf{O}ff-\textbf{P}olicy Estimator for the \textbf{F}uture \textbf{V}alue (\textbf{\textit{OPFV}})}, designed for accurately estimating policy values at any future time point. The key feature of OPFV is its ability to leverage the useful structure within time-series data. While future data might not be present in the historical log, we can leverage, for example, seasonal, weekly, or holiday effects that are consistent in both the historical and future data. Our estimator is the first to exploit these time-related structures via a new type of importance weighting, enabling effective F-OPE. Theoretical analysis identifies the conditions under which OPFV becomes low-bias. In addition, we extend our estimator to develop a new policy-gradient method to proactively learn a good future policy using only historical data. Empirical results show that our methods substantially outperform existing methods in estimating and optimizing the future policy value under non-stationarity for various experimental setups.
☆ Client Clustering Meets Knowledge Sharing: Enhancing Privacy and Robustness in Personalized Peer-to-Peer Learning
The growing adoption of Artificial Intelligence (AI) in Internet of Things (IoT) ecosystems has intensified the need for personalized learning methods that can operate efficiently and privately across heterogeneous, resource-constrained devices. However, enabling effective personalized learning in decentralized settings introduces several challenges, including efficient knowledge transfer between clients, protection of data privacy, and resilience against poisoning attacks. In this paper, we address these challenges by developing P4 (Personalized, Private, Peer-to-Peer) -- a method designed to deliver personalized models for resource-constrained IoT devices while ensuring differential privacy and robustness against poisoning attacks. Our solution employs a lightweight, fully decentralized algorithm to privately detect client similarity and form collaborative groups. Within each group, clients leverage differentially private knowledge distillation to co-train their models, maintaining high accuracy while ensuring robustness to the presence of malicious clients. We evaluate P4 on popular benchmark datasets using both linear and CNN-based architectures across various heterogeneity settings and attack scenarios. Experimental results show that P4 achieves 5% to 30% higher accuracy than leading differentially private peer-to-peer approaches and maintains robustness with up to 30% malicious clients. Additionally, we demonstrate its practicality by deploying it on resource-constrained devices, where collaborative training between two clients adds only ~7 seconds of overhead.
☆ POLAR: A Pessimistic Model-based Policy Learning Algorithm for Dynamic Treatment Regimes
Dynamic treatment regimes (DTRs) provide a principled framework for optimizing sequential decision-making in domains where decisions must adapt over time in response to individual trajectories, such as healthcare, education, and digital interventions. However, existing statistical methods often rely on strong positivity assumptions and lack robustness under partial data coverage, while offline reinforcement learning approaches typically focus on average training performance, lack statistical guarantees, and require solving complex optimization problems. To address these challenges, we propose POLAR, a novel pessimistic model-based policy learning algorithm for offline DTR optimization. POLAR estimates the transition dynamics from offline data and quantifies uncertainty for each history-action pair. A pessimistic penalty is then incorporated into the reward function to discourage actions with high uncertainty. Unlike many existing methods that focus on average training performance, POLAR directly targets the suboptimality of the final learned policy and offers theoretical guarantees, without relying on computationally intensive minimax or constrained optimization procedures. To the best of our knowledge, POLAR is the first model-based DTR method to provide both statistical and computational guarantees, including finite-sample bounds on policy suboptimality. Empirical results on both synthetic data and the MIMIC-III dataset demonstrate that POLAR outperforms state-of-the-art methods and yields near-optimal, history-aware treatment strategies.
☆ Exploiting Lightweight Hierarchical ViT and Dynamic Framework for Efficient Visual Tracking
Transformer-based visual trackers have demonstrated significant advancements due to their powerful modeling capabilities. However, their practicality is limited on resource-constrained devices because of their slow processing speeds. To address this challenge, we present HiT, a novel family of efficient tracking models that achieve high performance while maintaining fast operation across various devices. The core innovation of HiT lies in its Bridge Module, which connects lightweight transformers to the tracking framework, enhancing feature representation quality. Additionally, we introduce a dual-image position encoding approach to effectively encode spatial information. HiT achieves an impressive speed of 61 frames per second (fps) on the NVIDIA Jetson AGX platform, alongside a competitive AUC of 64.6% on the LaSOT benchmark, outperforming all previous efficient trackers.Building on HiT, we propose DyHiT, an efficient dynamic tracker that flexibly adapts to scene complexity by selecting routes with varying computational requirements. DyHiT uses search area features extracted by the backbone network and inputs them into an efficient dynamic router to classify tracking scenarios. Based on the classification, DyHiT applies a divide-and-conquer strategy, selecting appropriate routes to achieve a superior trade-off between accuracy and speed. The fastest version of DyHiT achieves 111 fps on NVIDIA Jetson AGX while maintaining an AUC of 62.4% on LaSOT.Furthermore, we introduce a training-free acceleration method based on the dynamic routing architecture of DyHiT. This method significantly improves the execution speed of various high-performance trackers without sacrificing accuracy. For instance, our acceleration method enables the state-of-the-art tracker SeqTrack-B256 to achieve a 2.68 times speedup on an NVIDIA GeForce RTX 2080 Ti GPU while maintaining the same AUC of 69.9% on the LaSOT.
comment: This paper was accepted by International Journal of Computer Vision(IJCV)
☆ TESSERA: Temporal Embeddings of Surface Spectra for Earth Representation and Analysis
Satellite remote sensing (RS) enables a wide array of downstream Earth observation (EO) applications, including climate modeling, carbon accounting, and strategies for conservation and sustainable land use. We present TESSERA, a novel Remote Sensing Foundation Model (RSFM) that uses Self-Supervised Learning (SSL) to generate global, robust representations at 10m scale from pixel-level satellite time series data. TESSERA combines information from only optical and SAR data streams using two parallel Transformer-based encoders: one dedicated to Sentinel-1 SAR polarizations and another to Sentinel-2 MSI data (10 selected spectral bands) to create representations that are then fused using a multilayer perceptron (MLP), resulting in a global representation map covering the years 2017 to 2024. Our precomputed representations set a new state-of-the-art performance benchmark and our open-source approach democratizes access to high-performance, high-resolution representations. We benchmark the performance of TESSERA in five diverse tasks, comparing our work with state-of-the-art task-specific models and other foundation models. Our results show that TESSERA outperforms both traditional RS baselines and the leading geospatial foundation models in these diverse downstream tasks.
☆ InvZW: Invariant Feature Learning via Noise-Adversarial Training for Robust Image Zero-Watermarking
This paper introduces a novel deep learning framework for robust image zero-watermarking based on distortion-invariant feature learning. As a zero-watermarking scheme, our method leaves the original image unaltered and learns a reference signature through optimization in the feature space. The proposed framework consists of two key modules. In the first module, a feature extractor is trained via noise-adversarial learning to generate representations that are both invariant to distortions and semantically expressive. This is achieved by combining adversarial supervision against a distortion discriminator and a reconstruction constraint to retain image content. In the second module, we design a learning-based multibit zero-watermarking scheme where the trained invariant features are projected onto a set of trainable reference codes optimized to match a target binary message. Extensive experiments on diverse image datasets and a wide range of distortions show that our method achieves state-of-the-art robustness in both feature stability and watermark recovery. Comparative evaluations against existing self-supervised and deep watermarking techniques further highlight the superiority of our framework in generalization and robustness.
Self-Supervised Graph Learning via Spectral Bootstrapping and Laplacian-Based Augmentations
We present LaplaceGNN, a novel self-supervised graph learning framework that bypasses the need for negative sampling by leveraging spectral bootstrapping techniques. Our method integrates Laplacian-based signals into the learning process, allowing the model to effectively capture rich structural representations without relying on contrastive objectives or handcrafted augmentations. By focusing on positive alignment, LaplaceGNN achieves linear scaling while offering a simpler, more efficient, self-supervised alternative for graph neural networks, applicable across diverse domains. Our contributions are twofold: we precompute spectral augmentations through max-min centrality-guided optimization, enabling rich structural supervision without relying on handcrafted augmentations, then we integrate an adversarial bootstrapped training scheme that further strengthens feature learning and robustness. Our extensive experiments on different benchmark datasets show that LaplaceGNN achieves superior performance compared to state-of-the-art self-supervised graph methods, offering a promising direction for efficiently learning expressive graph representations.
comment: LaplaceGNN is a novel graph learning framework that employs a bootstrapped teacher-student architecture. Its precomputed spectral augmentations and adversarial training enable robust performance, outperforming SOTA methods while scaling linearly
☆ Towards Interpretable and Efficient Feature Selection in Trajectory Datasets: A Taxonomic Approach
Trajectory analysis is not only about obtaining movement data, but it is also of paramount importance in understanding the pattern in which an object moves through space and time, as well as in predicting its next move. Due to the significant interest in the area, data collection has improved substantially, resulting in a large number of features becoming available for training and predicting models. However, this introduces a high-dimensionality-induced feature explosion problem, which reduces the efficiency and interpretability of the data, thereby reducing the accuracy of machine learning models. To overcome this issue, feature selection has become one of the most prevalent tools. Thus, the objective of this paper was to introduce a taxonomy-based feature selection method that categorizes features based on their internal structure. This approach classifies the data into geometric and kinematic features, further categorizing them into curvature, indentation, speed, and acceleration. The comparative analysis indicated that a taxonomy-based approach consistently achieved comparable or superior predictive performance. Furthermore, due to the taxonomic grouping, which reduces combinatorial space, the time taken to select features was drastically reduced. The taxonomy was also used to gain insights into what feature sets each dataset was more sensitive to. Overall, this study provides robust evidence that a taxonomy-based feature selection method can add a layer of interpretability, reduce dimensionality and computational complexity, and contribute to high-level decision-making. It serves as a step toward providing a methodological framework for researchers and practitioners dealing with trajectory datasets and contributing to the broader field of explainable artificial intelligence.
☆ A foundation model with multi-variate parallel attention to generate neuronal activity
Learning from multi-variate time-series with heterogeneous channel configurations remains a fundamental challenge for deep neural networks (DNNs), particularly in clinical domains such as intracranial electroencephalography (iEEG), where channel setups vary widely across subjects. In this work, we introduce multi-variate parallel attention (MVPA), a novel self-attention mechanism that disentangles content, temporal, and spatial attention, enabling flexible, generalizable, and efficient modeling of time-series data with varying channel counts and configurations. We use MVPA to build MVPFormer, a generative foundation model for human electrophysiology, trained to predict the evolution of iEEG signals across diverse subjects. To support this and future effort by the community, we release the SWEC iEEG dataset, the largest publicly available iEEG dataset to date, comprising nearly 10,000 hours of recordings from heterogeneous clinical sources. MVPFormer leverages MVPA to achieve strong generalization across subjects, demonstrating expert-level performance in seizure detection and outperforming state-of-the-art Transformer baselines on our SWEC, the MAYO, and the FNUSA dataset. We further validate MVPA on standard time-series forecasting and classification tasks, where it matches or exceeds existing attention-based models. Together, our contributions establish MVPA as a general-purpose attention mechanism for heterogeneous time-series and MVPFormer as the first open-source, open-weights, and open-data iEEG foundation model with state-of-the-art clinical performance. The code is available at https://github.com/IBM/multi-variate-parallel-transformer. The SWEC iEEG dataset is available at https://mb-neuro.medical-blocks.ch/public_access/databases/ieeg/swec_ieeg.
comment: The code is available at https://github.com/IBM/multi-variate-parallel-transformer. The SWEC iEEG dataset is available at https://mb-neuro.medical-blocks.ch/public_access/databases/ieeg/swec_ieeg
☆ DipSVD: Dual-importance Protected SVD for Efficient LLM Compression
The ever-increasing computational demands and deployment costs of large language models (LLMs) have spurred numerous compressing methods. Compared to quantization and unstructured pruning, SVD compression offers superior hardware compatibility and theoretical guarantees. However, existing SVD-based methods focus on the overall discrepancy between the original and compressed matrices while overlooking the protection of critical components within the matrix, which leads to inferior performance in the compressed models. This paper proposes a dual-level importance protection mechanism to enhance SVD-based compression methods: (1) local importance protection: preserving the most critical singular vectors within each weight matrix through channel-weighted data whitening; and (2) global importance protection: enabling less important layers to bear a greater portion of the compression burden through either a heuristic or optimization-based approach, thereby minimizing the impact of compression on critical layers. Extensive experiments demonstrate that DipSVD outperforms existing SVD-based compression approaches across multiple benchmarks, achieving superior model performance especially at high model compression ratios.
☆ On the ability of Deep Neural Networks to Learn Granger Causality in Multi-Variate Time Series Data
Granger Causality (GC) offers an elegant statistical framework to study the association between multivariate time series data. Linear Vector Autoregressive models (VAR) though have nice interpretation properties but have limited practical application due to underlying assumptions on the kind of associations that can be captured by these models. Numerous attempts have already been made in the literature that exploit the functional approximation power of Deep Neural Networks (DNNs) for the task of GC estimation. These methods however treat GC as a variable selection problem. We present a novel paradigm for approaching GC. We present this idea that GC is essentially linked with prediction and if a deep learning model is used to model the time series collectively or jointly, a well regularized model may learn the true granger causal structure from the data, given that there is enough training data. We propose to uncover the learned GC structure by comparing the model uncertainty or distribution of the residuals when the past of everything is used as compared to the one where a specific time series component is dropped from the model. We also compare the effect of input layer dropout on the ability of a neural network to learn granger causality from the data. We show that a well regularized model infact can learn the true GC structure from the data without explicitly adding terms in the loss function that guide the model to select variables or perform sparse regression.
☆ A Complete Loss Landscape Analysis of Regularized Deep Matrix Factorization
Despite its wide range of applications across various domains, the optimization foundations of deep matrix factorization (DMF) remain largely open. In this work, we aim to fill this gap by conducting a comprehensive study of the loss landscape of the regularized DMF problem. Toward this goal, we first provide a closed-form expression of all critical points. Building on this, we establish precise conditions under which a critical point is a local minimizer, a global minimizer, a strict saddle point, or a non-strict saddle point. Leveraging these results, we derive a necessary and sufficient condition under which each critical point is either a local minimizer or a strict saddle point. This provides insights into why gradient-based methods almost always converge to a local minimizer of the regularized DMF problem. Finally, we conduct numerical experiments to visualize its loss landscape under different settings to support our theory.
comment: 35 pages, 3 figures
☆ Feature Hallucination for Self-supervised Action Recognition
Understanding human actions in videos requires more than raw pixel analysis; it relies on high-level semantic reasoning and effective integration of multimodal features. We propose a deep translational action recognition framework that enhances recognition accuracy by jointly predicting action concepts and auxiliary features from RGB video frames. At test time, hallucination streams infer missing cues, enriching feature representations without increasing computational overhead. To focus on action-relevant regions beyond raw pixels, we introduce two novel domain-specific descriptors. Object Detection Features (ODF) aggregate outputs from multiple object detectors to capture contextual cues, while Saliency Detection Features (SDF) highlight spatial and intensity patterns crucial for action recognition. Our framework seamlessly integrates these descriptors with auxiliary modalities such as optical flow, Improved Dense Trajectories, skeleton data, and audio cues. It remains compatible with state-of-the-art architectures, including I3D, AssembleNet, Video Transformer Network, FASTER, and recent models like VideoMAE V2 and InternVideo2. To handle uncertainty in auxiliary features, we incorporate aleatoric uncertainty modeling in the hallucination step and introduce a robust loss function to mitigate feature noise. Our multimodal self-supervised action recognition framework achieves state-of-the-art performance on multiple benchmarks, including Kinetics-400, Kinetics-600, and Something-Something V2, demonstrating its effectiveness in capturing fine-grained action dynamics.
comment: Accepted for publication in International Journal of Computer Vision (IJCV)
☆ Recurrent neural network-based robust control systems with closed-loop regional incremental ISS and application to MPC design
This paper investigates the design of output-feedback schemes for systems described by a class of recurrent neural networks. We propose a procedure based on linear matrix inequalities for designing an observer and a static state-feedback controller. The algorithm leverages global and regional incremental input-to-state stability (incremental ISS) and enables the tracking of constant setpoints, ensuring robustness to disturbances and state estimation uncertainty. To address the potential limitations of regional incremental ISS, we introduce an alternative scheme in which the static law is replaced with a tube-based nonlinear model predictive controller (NMPC) that exploits regional incremental ISS properties. We show that these conditions enable the formulation of a robust NMPC law with guarantees of convergence and recursive feasibility, leading to an enlarged region of attraction. Theoretical results are validated through numerical simulations on the pH-neutralisation process benchmark, demonstrating the effectiveness of the proposed schemes.
comment: 16 pages, 7 figures, submitted to IEEE Transactions on Automatic Control (under review)
☆ Biomed-Enriched: A Biomedical Dataset Enriched with LLMs for Pretraining and Extracting Rare and Hidden Content
We introduce Biomed-Enriched, a biomedical text dataset constructed from PubMed via a two-stage annotation process. In the first stage, a large language model annotates 400K paragraphs from PubMed scientific articles, assigning scores for their type (review, study, clinical case, other), domain (clinical, biomedical, other), and educational quality. The educational quality score (rated 1 to 5) estimates how useful a paragraph is for college-level learning. These annotations are then used to fine-tune a small language model, which propagates the labels across the full PMC-OA corpus. The resulting metadata allows us to extract refined subsets, including 2M clinical case paragraphs with over 450K high-quality ones from articles with commercial-use licenses, and to construct several variants via quality filtering and domain upsampling. Clinical text is typically difficult to access due to privacy constraints, as hospital records cannot be publicly shared. Hence, our dataset provides an alternative large-scale, openly available collection of clinical cases from PubMed, making it a valuable resource for biomedical and clinical NLP. Preliminary continual-pretraining experiments with OLMo2 suggest these curated subsets enable targeted improvements, with clinical upsampling boosting performance by ~5% on MMLU ProfMed and educational quality filtering improving MedQA and MedMCQA by ~1%. Combinations of these techniques led to faster convergence, reaching same performance with a third of training tokens, indicating potential for more efficient and effective biomedical pretraining strategies.
comment: Dataset link: https://hf.co/datasets/almanach/Biomed-Enriched
☆ Producer-Fairness in Sequential Bundle Recommendation
We address fairness in the context of sequential bundle recommendation, where users are served in turn with sets of relevant and compatible items. Motivated by real-world scenarios, we formalize producer-fairness, that seeks to achieve desired exposure of different item groups across users in a recommendation session. Our formulation combines naturally with building high quality bundles. Our problem is solved in real time as users arrive. We propose an exact solution that caters to small instances of our problem. We then examine two heuristics, quality-first and fairness-first, and an adaptive variant that determines on-the-fly the right balance between bundle fairness and quality. Our experiments on three real-world datasets underscore the strengths and limitations of each solution and demonstrate their efficacy in providing fair bundle recommendations without compromising bundle quality.
☆ Permutation Equivariant Neural Controlled Differential Equations for Dynamic Graph Representation Learning
Dynamic graphs exhibit complex temporal dynamics due to the interplay between evolving node features and changing network structures. Recently, Graph Neural Controlled Differential Equations (Graph Neural CDEs) successfully adapted Neural CDEs from paths on Euclidean domains to paths on graph domains. Building on this foundation, we introduce Permutation Equivariant Neural Graph CDEs, which project Graph Neural CDEs onto permutation equivariant function spaces. This significantly reduces the model's parameter count without compromising representational power, resulting in more efficient training and improved generalisation. We empirically demonstrate the advantages of our approach through experiments on simulated dynamical systems and real-world tasks, showing improved performance in both interpolation and extrapolation scenarios.
☆ Comparative Analysis of Deep Learning Models for Crop Disease Detection: A Transfer Learning Approach
This research presents the development of an Artificial Intelligence (AI) - driven crop disease detection system designed to assist farmers in rural areas with limited resources. We aim to compare different deep learning models for a comparative analysis, focusing on their efficacy in transfer learning. By leveraging deep learning models, including EfficientNet, ResNet101, MobileNetV2, and our custom CNN, which achieved a validation accuracy of 95.76%, the system effectively classifies plant diseases. This research demonstrates the potential of transfer learning in reshaping agricultural practices, improving crop health management, and supporting sustainable farming in rural environments.
☆ Beyond-Expert Performance with Limited Demonstrations: Efficient Imitation Learning with Double Exploration
Imitation learning is a central problem in reinforcement learning where the goal is to learn a policy that mimics the expert's behavior. In practice, it is often challenging to learn the expert policy from a limited number of demonstrations accurately due to the complexity of the state space. Moreover, it is essential to explore the environment and collect data to achieve beyond-expert performance. To overcome these challenges, we propose a novel imitation learning algorithm called Imitation Learning with Double Exploration (ILDE), which implements exploration in two aspects: (1) optimistic policy optimization via an exploration bonus that rewards state-action pairs with high uncertainty to potentially improve the convergence to the expert policy, and (2) curiosity-driven exploration of the states that deviate from the demonstration trajectories to potentially yield beyond-expert performance. Empirically, we demonstrate that ILDE outperforms the state-of-the-art imitation learning algorithms in terms of sample efficiency and achieves beyond-expert performance on Atari and MuJoCo tasks with fewer demonstrations than in previous work. We also provide a theoretical justification of ILDE as an uncertainty-regularized policy optimization method with optimistic exploration, leading to a regret growing sublinearly in the number of episodes.
☆ Learning Moderately Input-Sensitive Functions: A Case Study in QR Code Decoding
The hardness of learning a function that attains a target task relates to its input-sensitivity. For example, image classification tasks are input-insensitive as minor corruptions should not affect the classification results, whereas arithmetic and symbolic computation, which have been recently attracting interest, are highly input-sensitive as each input variable connects to the computation results. This study presents the first learning-based Quick Response (QR) code decoding and investigates learning functions of medium sensitivity. Our experiments reveal that Transformers can successfully decode QR codes, even beyond the theoretical error-correction limit, by learning the structure of embedded texts. They generalize from English-rich training data to other languages and even random strings. Moreover, we observe that the Transformer-based QR decoder focuses on data bits while ignoring error-correction bits, suggesting a decoding mechanism distinct from standard QR code readers.
comment: 17 pages, 13 figures
☆ OLALa: Online Learned Adaptive Lattice Codes for Heterogeneous Federated Learning
Federated learning (FL) enables collaborative training across distributed clients without sharing raw data, often at the cost of substantial communication overhead induced by transmitting high-dimensional model updates. This overhead can be alleviated by having the clients quantize their model updates, with dithered lattice quantizers identified as an attractive scheme due to its structural simplicity and convergence-preserving properties. However, existing lattice-based FL schemes typically rely on a fixed quantization rule, which is suboptimal in heterogeneous and dynamic environments where the model updates distribution varies across users and training rounds. In this work, we propose Online Learned Adaptive Lattices (OLALa), a heterogeneous FL framework where each client can adjust its quantizer online using lightweight local computations. We first derive convergence guarantees for FL with non-fixed lattice quantizers and show that proper lattice adaptation can tighten the convergence bound. Then, we design an online learning algorithm that enables clients to tune their quantizers throughout the FL process while exchanging only a compact set of quantization parameters. Numerical experiments demonstrate that OLALa consistently improves learning performance under various quantization rates, outperforming conventional fixed-codebook and non-adaptive schemes.
comment: Under review for publication in the IEEE
☆ Distilling A Universal Expert from Clustered Federated Learning
Clustered Federated Learning (CFL) addresses the challenges posed by non-IID data by training multiple group- or cluster-specific expert models. However, existing methods often overlook the shared information across clusters, which represents the generalizable knowledge valuable to all participants in the Federated Learning (FL) system. To overcome this limitation, this paper introduces a novel FL framework that distills a universal expert model from the knowledge of multiple clusters. This universal expert captures globally shared information across all clients and is subsequently distributed to each client as the initialization for the next round of model training. The proposed FL framework operates in three iterative steps: (1) local model training at each client, (2) cluster-specific model aggregation, and (3) universal expert distillation. This three-step learning paradigm ensures the preservation of fine-grained non-IID characteristics while effectively incorporating shared knowledge across clusters. Compared to traditional gradient-based aggregation methods, the distillation-based model aggregation introduces greater flexibility in handling model heterogeneity and reduces conflicts among cluster-specific experts. Extensive experimental results demonstrate the superior performance of the proposed method across various scenarios, highlighting its potential to advance the state of CFL by balancing personalized and shared knowledge more effectively.
☆ Forensic Study of Paintings Through the Comparison of Fabrics
The study of canvas fabrics in works of art is a crucial tool for authentication, attribution and conservation. Traditional methods are based on thread density map matching, which cannot be applied when canvases do not come from contiguous positions on a roll. This paper presents a novel approach based on deep learning to assess the similarity of textiles. We introduce an automatic tool that evaluates the similarity between canvases without relying on thread density maps. A Siamese deep learning model is designed and trained to compare pairs of images by exploiting the feature representations learned from the scans. In addition, a similarity estimation method is proposed, aggregating predictions from multiple pairs of cloth samples to provide a robust similarity score. Our approach is applied to canvases from the Museo Nacional del Prado, corroborating the hypothesis that plain weave canvases, widely used in painting, can be effectively compared even when their thread densities are similar. The results demonstrate the feasibility and accuracy of the proposed method, opening new avenues for the analysis of masterpieces.
☆ X-SiT: Inherently Interpretable Surface Vision Transformers for Dementia Diagnosis MICCAI 2025
Interpretable models are crucial for supporting clinical decision-making, driving advances in their development and application for medical images. However, the nature of 3D volumetric data makes it inherently challenging to visualize and interpret intricate and complex structures like the cerebral cortex. Cortical surface renderings, on the other hand, provide a more accessible and understandable 3D representation of brain anatomy, facilitating visualization and interactive exploration. Motivated by this advantage and the widespread use of surface data for studying neurological disorders, we present the eXplainable Surface Vision Transformer (X-SiT). This is the first inherently interpretable neural network that offers human-understandable predictions based on interpretable cortical features. As part of X-SiT, we introduce a prototypical surface patch decoder for classifying surface patch embeddings, incorporating case-based reasoning with spatially corresponding cortical prototypes. The results demonstrate state-of-the-art performance in detecting Alzheimer's disease and frontotemporal dementia while additionally providing informative prototypes that align with known disease patterns and reveal classification errors.
comment: MICCAI 2025
☆ Exploration-Exploitation Tradeoff in Universal Lossy Compression
Universal compression can learn the source and adapt to it either in a batch mode (forward adaptation), or in a sequential mode (backward adaptation). We recast the sequential mode as a multi-armed bandit problem, a fundamental model in reinforcement-learning, and study the trade-off between exploration and exploitation in the lossy compression case. We show that a previously proposed "natural type selection" scheme can be cast as a reconstruction-directed MAB algorithm, for sequential lossy compression, and explain its limitations in terms of robustness and short-block performance. We then derive and analyze robust cost-directed MAB algorithms, which work at any block length.
comment: An extended version of ISIT 2025 paper
☆ Argumentative Ensembling for Robust Recourse under Model Multiplicity
In machine learning, it is common to obtain multiple equally performing models for the same prediction task, e.g., when training neural networks with different random seeds. Model multiplicity (MM) is the situation which arises when these competing models differ in their predictions for the same input, for which ensembling is often employed to determine an aggregation of the outputs. Providing recourse recommendations via counterfactual explanations (CEs) under MM thus becomes complex, since the CE may not be valid across all models, i.e., the CEs are not robust under MM. In this work, we formalise the problem of providing recourse under MM, which we name recourse-aware ensembling (RAE). We propose the idea that under MM, CEs for each individual model should be considered alongside their predictions so that the aggregated prediction and recourse are decided in tandem. Centred around this intuition, we introduce six desirable properties for solutions to this problem. For solving RAE, we propose a novel argumentative ensembling method which guarantees the robustness of CEs under MM. Specifically, our method leverages computational argumentation to explicitly represent the conflicts between models and counterfactuals regarding prediction results and CE validity. It then uses argumentation semantics to resolve the conflicts and obtain the final solution, in a manner which is parametric to the chosen semantics. Our method also allows for the specification of preferences over the models under MM, allowing further customisation of the ensemble. In a comprehensive theoretical analysis, we characterise the behaviour of argumentative ensembling with four different argumentation semantics. We then empirically demonstrate the effectiveness of our approach in satisfying desirable properties with eight instantiations of our method. (Abstract is shortened for arXiv.)
comment: arXiv admin note: substantial text overlap with arXiv:2312.15097
☆ A Transformer Based Handwriting Recognition System Jointly Using Online and Offline Features
We posit that handwriting recognition benefits from complementary cues carried by the rasterized complex glyph and the pen's trajectory, yet most systems exploit only one modality. We introduce an end-to-end network that performs early fusion of offline images and online stroke data within a shared latent space. A patch encoder converts the grayscale crop into fixed-length visual tokens, while a lightweight transformer embeds the $(x, y, \text{pen})$ sequence. Learnable latent queries attend jointly to both token streams, yielding context-enhanced stroke embeddings that are pooled and decoded under a cross-entropy loss objective. Because integration occurs before any high-level classification, temporal cues reinforce each other during representation learning, producing stronger writer independence. Comprehensive experiments on IAMOn-DB and VNOn-DB demonstrate that our approach achieves state-of-the-art accuracy, exceeding previous bests by up to 1\%. Our study also shows adaptation of this pipeline with gesturification on the ISI-Air dataset. Our code can be found here.
comment: 15 pages, 7 figures
☆ Time-series surrogates from energy consumers generated by machine learning approaches for long-term forecasting scenarios
Forecasting attracts a lot of research attention in the electricity value chain. However, most studies concentrate on short-term forecasting of generation or consumption with a focus on systems and less on individual consumers. Even more neglected is the topic of long-term forecasting of individual power consumption. Here, we provide an in-depth comparative evaluation of data-driven methods for generating synthetic time series data tailored to energy consumption long-term forecasting. High-fidelity synthetic data is crucial for a wide range of applications, including state estimations in energy systems or power grid planning. In this study, we assess and compare the performance of multiple state-of-the-art but less common techniques: a hybrid Wasserstein Generative Adversarial Network (WGAN), Denoising Diffusion Probabilistic Model (DDPM), Hidden Markov Model (HMM), and Masked Autoregressive Bernstein polynomial normalizing Flows (MABF). We analyze the ability of each method to replicate the temporal dynamics, long-range dependencies, and probabilistic transitions characteristic of individual energy consumption profiles. Our comparative evaluation highlights the strengths and limitations of: WGAN, DDPM, HMM and MABF aiding in selecting the most suitable approach for state estimations and other energy-related tasks. Our generation and analysis framework aims to enhance the accuracy and reliability of synthetic power consumption data while generating data that fulfills criteria like anonymisation - preserving privacy concerns mitigating risks of specific profiling of single customers. This study utilizes an open-source dataset from households in Germany with 15min time resolution. The generated synthetic power profiles can readily be used in applications like state estimations or consumption forecasting.
☆ Q-resafe: Assessing Safety Risks and Quantization-aware Safety Patching for Quantized Large Language Models ICML 2025
Quantized large language models (LLMs) have gained increasing attention and significance for enabling deployment in resource-constrained environments. However, emerging studies on a few calibration dataset-free quantization methods suggest that quantization may compromise the safety capabilities of LLMs, underscoring the urgent need for systematic safety evaluations and effective mitigation strategies. In this paper, we present comprehensive safety evaluations across various mainstream quantization techniques and diverse calibration datasets, utilizing widely accepted safety benchmarks. To address the identified safety vulnerabilities, we propose a quantization-aware safety patching framework, Q-resafe, to efficiently restore the safety capabilities of quantized LLMs while minimizing any adverse impact on utility. Extensive experimental results demonstrate that Q-resafe successfully re-aligns the safety of quantized LLMs with their pre-quantization counterparts, even under challenging evaluation scenarios. Project page is available at: https://github.com/Thecommonirin/Qresafe.
comment: ICML 2025
☆ FedBKD: Distilled Federated Learning to Embrace Gerneralization and Personalization on Non-IID Data
Federated learning (FL) is a decentralized collaborative machine learning (ML) technique. It provides a solution to the issues of isolated data islands and data privacy leakage in industrial ML practices. One major challenge in FL is handling the non-identical and independent distributed (non-IID) data. Current solutions either focus on constructing an all-powerful global model, or customizing personalized local models. Few of them can provide both a well-generalized global model and well-performed local models at the same time. Additionally, many FL solutions to the non-IID problem are benefited from introducing public datasets. However, this will also increase the risk of data leakage. To tackle the problems, we propose a novel data-free distillation framework, Federated Bidirectional Knowledge Distillation (FedBKD). Specifically, we train Generative Adversarial Networks (GAN) for synthetic data. During the GAN training, local models serve as discriminators and their parameters are frozen. The synthetic data is then used for bidirectional distillation between global and local models to achieve knowledge interactions so that performances for both sides are improved. We conduct extensive experiments on 4 benchmarks under different non-IID settings. The results show that FedBKD achieves SOTA performances in every case.
☆ Directed Link Prediction using GNN with Local and Global Feature Fusion
Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate neighborhood information through graph convolutions. In this work, we propose a novel graph neural network (GNN) framework to fuse feature embedding with community information. We theoretically demonstrate that such hybrid features can improve the performance of directed link prediction. To utilize such features efficiently, we also propose an approach to transform input graphs into directed line graphs so that nodes in the transformed graph can aggregate more information during graph convolutions. Experiments on benchmark datasets show that our approach outperforms the state-of-the-art in most cases when 30%, 40%, 50%, and 60% of the connected links are used as training data, respectively.
☆ Affective Priming Score: A Data-Driven Method to Detect Priming in Sequential Datasets
Affective priming exemplifies the challenge of ambiguity in affective computing. While the community has largely addressed this issue from a label-based perspective, identifying data points in the sequence affected by the priming effect, the impact of priming on data itself, particularly in physiological signals, remains underexplored. Data affected by priming can lead to misclassifications when used in learning models. This study proposes the Affective Priming Score (APS), a data-driven method to detect data points influenced by the priming effect. The APS assigns a score to each data point, quantifying the extent to which it is affected by priming. To validate this method, we apply it to the SEED and SEED-VII datasets, which contain sufficient transitions between emotional events to exhibit priming effects. We train models with the same configuration using both the original data and priming-free sequences. The misclassification rate is significantly reduced when using priming-free sequences compared to the original data. This work contributes to the broader challenge of ambiguity by identifying and mitigating priming effects at the data level, enhancing model robustness, and offering valuable insights for the design and collection of affective computing datasets.
☆ Zero-Shot Attribution for Large Language Models: A Distribution Testing Approach
A growing fraction of all code is sampled from Large Language Models (LLMs). We investigate the problem of attributing code generated by language models using hypothesis testing to leverage established techniques and guarantees. Given a set of samples $S$ and a suspect model $\mathcal{L}^*$, our goal is to assess the likelihood of $S$ originating from $\mathcal{L}^*$. Due to the curse of dimensionality, this is intractable when only samples from the LLM are given: to circumvent this, we use both samples and density estimates from the LLM, a form of access commonly available. We introduce $\mathsf{Anubis}$, a zero-shot attribution tool that frames attribution as a distribution testing problem. Our experiments on a benchmark of code samples show that $\mathsf{Anubis}$ achieves high AUROC scores ( $\ge0.9$) when distinguishing between LLMs like DeepSeek-Coder, CodeGemma, and Stable-Code using only $\approx 2000$ samples.
comment: 16 pages, 4 figures
☆ DuoGPT: Training-free Dual Sparsity through Activation-aware Pruning in LLMs
Large language models (LLMs) deliver strong performance but are difficult to deploy due to high memory and compute costs. While pruning reduces these demands, most methods ignore activation sparsity observed at runtime. We reinterpret activation sparsity as dynamic structured weight sparsity and propose DuoGPT, a unified framework that constructs dual-sparse (spMspV) workloads by combining unstructured weight pruning with activation sparsity. To preserve accuracy, we extend the Optimal Brain Compression (OBC) framework with activation-aware calibration and introduce output residuals from the dense model as correction terms. We further optimize the solution for efficient GPU execution, enabling scalability to billion-parameter LLMs. Evaluations on LLaMA-2 and LLaMA-3 show that DuoGPT outperforms state-of-the-art structured pruning methods by up to 9.17% accuracy at an iso-speedup of 1.39$\times$ compared to the baseline dense model.
☆ Causal Operator Discovery in Partial Differential Equations via Counterfactual Physics-Informed Neural Networks
We develop a principled framework for discovering causal structure in partial differential equations (PDEs) using physics-informed neural networks and counterfactual perturbations. Unlike classical residual minimization or sparse regression methods, our approach quantifies operator-level necessity through functional interventions on the governing dynamics. We introduce causal sensitivity indices and structural deviation metrics to assess the influence of candidate differential operators within neural surrogates. Theoretically, we prove exact recovery of the causal operator support under restricted isometry or mutual coherence conditions, with residual bounds guaranteeing identifiability. Empirically, we validate the framework on both synthetic and real-world datasets across climate dynamics, tumor diffusion, and ocean flows. Our method consistently recovers governing operators even under noise, redundancy, and data scarcity, outperforming standard PINNs and DeepONets in structural fidelity. This work positions causal PDE discovery as a tractable and interpretable inference task grounded in structural causal models and variational residual analysis.
☆ COIN: Uncertainty-Guarding Selective Question Answering for Foundation Models with Provable Risk Guarantees
Uncertainty quantification (UQ) for foundation models is essential to identify and mitigate potential hallucinations in automatically generated text. However, heuristic UQ approaches lack formal guarantees for key metrics such as the false discovery rate (FDR) in selective prediction. Previous work adopts the split conformal prediction (SCP) framework to ensure desired coverage of admissible answers by constructing prediction sets, but these sets often contain incorrect candidates, limiting their practical utility. To address this, we propose COIN, an uncertainty-guarding selection framework that calibrates statistically valid thresholds to filter a single generated answer per question under user-specified FDR constraints. COIN estimates the empirical error rate on a calibration set and applies confidence interval methods such as Clopper-Pearson to establish a high-probability upper bound on the true error rate (i.e., FDR). This enables the selection of the largest uncertainty threshold that ensures FDR control on test data while significantly increasing sample retention. We demonstrate COIN's robustness in risk control, strong test-time power in retaining admissible answers, and predictive efficiency under limited calibration data across both general and multimodal text generation tasks. Furthermore, we show that employing alternative upper bound constructions and UQ strategies can further boost COIN's power performance, which underscores its extensibility and adaptability to diverse application scenarios.
☆ Valid Selection among Conformal Sets
Conformal prediction offers a distribution-free framework for constructing prediction sets with coverage guarantees. In practice, multiple valid conformal prediction sets may be available, arising from different models or methodologies. However, selecting the most desirable set, such as the smallest, can invalidate the coverage guarantees. To address this challenge, we propose a stability-based approach that ensures coverage for the selected prediction set. We extend our results to the online conformal setting, propose several refinements in settings where additional structure is available, and demonstrate its effectiveness through experiments.
☆ Causal discovery in deterministic discrete LTI-DAE systems
Discovering pure causes or driver variables in deterministic LTI systems is of vital importance in the data-driven reconstruction of causal networks. A recent work by Kathari and Tangirala, proposed in 2022, formulated the causal discovery method as a constraint identification problem. The constraints are identified using a dynamic iterative PCA (DIPCA)-based approach for dynamical systems corrupted with Gaussian measurement errors. The DIPCA-based method works efficiently for dynamical systems devoid of any algebraic relations. However, several dynamical systems operate under feedback control and/or are coupled with conservation laws, leading to differential-algebraic (DAE) or mixed causal systems. In this work, a method, namely the partition of variables (PoV), for causal discovery in LTI-DAE systems is proposed. This method is superior to the method that was presented by Kathari and Tangirala (2022), as PoV also works for pure dynamical systems, which are devoid of algebraic equations. The proposed method identifies the causal drivers up to a minimal subset. PoV deploys DIPCA to first determine the number of algebraic relations ($n_a$), the number of dynamical relations ($n_d$) and the constraint matrix. Subsequently, the subsets are identified through an admissible partitioning of the constraint matrix by finding the condition number of it. Case studies are presented to demonstrate the effectiveness of the proposed method.
☆ Accept More, Reject Less: Reducing up to 19% Unnecessary Desk-Rejections over 11 Years of ICLR Data
The explosive growth of AI research has driven paper submissions at flagship AI conferences to unprecedented levels, necessitating many venues in 2025 (e.g., CVPR, ICCV, KDD, AAAI, IJCAI, WSDM) to enforce strict per-author submission limits and to desk-reject any excess papers by simple ID order. While this policy helps reduce reviewer workload, it may unintentionally discard valuable papers and penalize authors' efforts. In this paper, we ask an essential research question on whether it is possible to follow submission limits while minimizing needless rejections. We first formalize the current desk-rejection policies as an optimization problem, and then develop a practical algorithm based on linear programming relaxation and a rounding scheme. Under extensive evaluation on 11 years of real-world ICLR (International Conference on Learning Representations) data, our method preserves up to $19.23\%$ more papers without violating any author limits. Moreover, our algorithm is highly efficient in practice, with all results on ICLR data computed within at most 53.64 seconds. Our work provides a simple and practical desk-rejection strategy that significantly reduces unnecessary rejections, demonstrating strong potential to improve current CS conference submission policies.
☆ Piecewise Linear Approximation in Learned Index Structures: Theoretical and Empirical Analysis
A growing trend in the database and system communities is to augment conventional index structures, such as B+-trees, with machine learning (ML) models. Among these, error-bounded Piecewise Linear Approximation ($\epsilon$-PLA) has emerged as a popular choice due to its simplicity and effectiveness. Despite its central role in many learned indexes, the design and analysis of $\epsilon$-PLA fitting algorithms remain underexplored. In this paper, we revisit $\epsilon$-PLA from both theoretical and empirical perspectives, with a focus on its application in learned index structures. We first establish a fundamentally improved lower bound of $\Omega(\kappa \cdot \epsilon^2)$ on the expected segment coverage for existing $\epsilon$-PLA fitting algorithms, where $\kappa$ is a data-dependent constant. We then present a comprehensive benchmark of state-of-the-art $\epsilon$-PLA algorithms when used in different learned data structures. Our results highlight key trade-offs among model accuracy, model size, and query performance, providing actionable guidelines for the principled design of future learned data structures.
☆ High-Resolution Live Fuel Moisture Content (LFMC) Maps for Wildfire Risk from Multimodal Earth Observation Data ICML 2025
Wildfires are increasing in intensity and severity at an alarming rate. Recent advances in AI and publicly available satellite data enable monitoring critical wildfire risk factors globally, at high resolution and low latency. Live Fuel Moisture Content (LFMC) is a critical wildfire risk factor and is valuable for both wildfire research and operational response. However, ground-based LFMC samples are both labor intensive and costly to acquire, resulting in sparse and infrequent updates. In this work, we explore the use of a pretrained, highly-multimodal earth-observation model for generating large-scale spatially complete (wall-to-wall) LFMC maps. Our approach achieves significant improvements over previous methods using randomly initialized models (20 reduction in RMSE). We provide an automated pipeline that enables rapid generation of these LFMC maps across the United States, and demonstrate its effectiveness in two regions recently impacted by wildfire (Eaton and Palisades).
comment: 10 pages, ICML 2025 (TerraBytes)
☆ CCRS: A Zero-Shot LLM-as-a-Judge Framework for Comprehensive RAG Evaluation
RAG systems enhance LLMs by incorporating external knowledge, which is crucial for domains that demand factual accuracy and up-to-date information. However, evaluating the multifaceted quality of RAG outputs, spanning aspects such as contextual coherence, query relevance, factual correctness, and informational completeness, poses significant challenges. Existing evaluation methods often rely on simple lexical overlap metrics, which are inadequate for capturing these nuances, or involve complex multi-stage pipelines with intermediate steps like claim extraction or require finetuning specialized judge models, hindering practical efficiency. To address these limitations, we propose CCRS (Contextual Coherence and Relevance Score), a novel suite of five metrics that utilizes a single, powerful, pretrained LLM as a zero-shot, end-to-end judge. CCRS evaluates: Contextual Coherence (CC), Question Relevance (QR), Information Density (ID), Answer Correctness (AC), and Information Recall (IR). We apply CCRS to evaluate six diverse RAG system configurations on the challenging BioASQ dataset. Our analysis demonstrates that CCRS effectively discriminates between system performances, confirming, for instance, that the Mistral-7B reader outperforms Llama variants. We provide a detailed analysis of CCRS metric properties, including score distributions, convergent/discriminant validity, tie rates, population statistics, and discriminative power. Compared to the complex RAGChecker framework, CCRS offers comparable or superior discriminative power for key aspects like recall and faithfulness, while being significantly more computationally efficient. CCRS thus provides a practical, comprehensive, and efficient framework for evaluating and iteratively improving RAG systems.
comment: Accepted at LLM4Eval @ SIGIR 2025
☆ Leveraging AI Graders for Missing Score Imputation to Achieve Accurate Ability Estimation in Constructed-Response Tests
Evaluating the abilities of learners is a fundamental objective in the field of education. In particular, there is an increasing need to assess higher-order abilities such as expressive skills and logical thinking. Constructed-response tests such as short-answer and essay-based questions have become widely used as a method to meet this demand. Although these tests are effective, they require substantial manual grading, making them both labor-intensive and costly. Item response theory (IRT) provides a promising solution by enabling the estimation of ability from incomplete score data, where human raters grade only a subset of answers provided by learners across multiple test items. However, the accuracy of ability estimation declines as the proportion of missing scores increases. Although data augmentation techniques for imputing missing scores have been explored in order to address this limitation, they often struggle with inaccuracy for sparse or heterogeneous data. To overcome these challenges, this study proposes a novel method for imputing missing scores by leveraging automated scoring technologies for accurate IRT-based ability estimation. The proposed method achieves high accuracy in ability estimation while markedly reducing manual grading workload.
comment: Accepted to EvalLAC'25: 2nd Workshop on Automatic Evaluation of Learning and Assessment Content, held at AIED 2025, Palermo, Italy. This is the camera-ready version submitted to CEUR Workshop Proceedings
☆ Extracting Interpretable Models from Tree Ensembles: Computational and Statistical Perspectives
Tree ensembles are non-parametric methods widely recognized for their accuracy and ability to capture complex interactions. While these models excel at prediction, they are difficult to interpret and may fail to uncover useful relationships in the data. We propose an estimator to extract compact sets of decision rules from tree ensembles. The extracted models are accurate and can be manually examined to reveal relationships between the predictors and the response. A key novelty of our estimator is the flexibility to jointly control the number of rules extracted and the interaction depth of each rule, which improves accuracy. We develop a tailored exact algorithm to efficiently solve optimization problems underlying our estimator and an approximate algorithm for computing regularization paths, sequences of solutions that correspond to varying model sizes. We also establish novel non-asymptotic prediction error bounds for our proposed approach, comparing it to an oracle that chooses the best data-dependent linear combination of the rules in the ensemble subject to the same complexity constraint as our estimator. The bounds illustrate that the large-sample predictive performance of our estimator is on par with that of the oracle. Through experiments, we demonstrate that our estimator outperforms existing algorithms for rule extraction.
☆ Autonomous Cyber Resilience via a Co-Evolutionary Arms Race within a Fortified Digital Twin Sandbox
The convergence of IT and OT has created hyper-connected ICS, exposing critical infrastructure to a new class of adaptive, intelligent adversaries that render static defenses obsolete. Existing security paradigms often fail to address a foundational "Trinity of Trust," comprising the fidelity of the system model, the integrity of synchronizing data, and the resilience of the analytical engine against sophisticated evasion. This paper introduces the ARC framework, a method for achieving analytical resilience through an autonomous, closed-loop hardening process. ARC establishes a perpetual co-evolutionary arms race within the high-fidelity sandbox of a F-SCDT. A DRL agent, the "Red Agent," is formalized and incentivized to autonomously discover stealthy, physically-plausible attack paths that maximize process disruption while evading detection. Concurrently, an ensemble-based "Blue Agent" defender is continuously hardened via adversarial training against the evolving threats discovered by its adversary. This co-evolutionary dynamic forces both agents to become progressively more sophisticated, enabling the system to autonomously probe and patch its own vulnerabilities. Experimental validation on both the TEP and the SWaT testbeds demonstrates the framework's superior performance. A comprehensive ablation study, supported by extensive visualizations including ROC curves and SHAP plots, reveals that the co-evolutionary process itself is responsible for a significant performance increase in detecting novel attacks. By integrating XAI to ensure operator trust and proposing a scalable F-ARC architecture, this work presents ARC not merely as an improvement, but as a necessary paradigm shift toward dynamic, self-improving security for the future of critical infrastructure.
comment: 17 pages, 2 figures, 4 equations, 2 algorithms, 4 tables, to be published in ISPACS Conference 2025, unabridged version
☆ MEL: Multi-level Ensemble Learning for Resource-Constrained Environments
AI inference at the edge is becoming increasingly common for low-latency services. However, edge environments are power- and resource-constrained, and susceptible to failures. Conventional failure resilience approaches, such as cloud failover or compressed backups, often compromise latency or accuracy, limiting their effectiveness for critical edge inference services. In this paper, we propose Multi-Level Ensemble Learning (MEL), a new framework for resilient edge inference that simultaneously trains multiple lightweight backup models capable of operating collaboratively, refining each other when multiple servers are available, and independently under failures while maintaining good accuracy. Specifically, we formulate our approach as a multi-objective optimization problem with a loss formulation that inherently encourages diversity among individual models to promote mutually refining representations, while ensuring each model maintains good standalone performance. Empirical evaluations across vision, language, and audio datasets show that MEL provides performance comparable to original architectures while also providing fault tolerance and deployment flexibility across edge platforms. Our results show that our ensemble model, sized at 40\% of the original model, achieves similar performance, while preserving 95.6\% of ensemble accuracy in the case of failures when trained using MEL.
☆ A Survey of Predictive Maintenance Methods: An Analysis of Prognostics via Classification and Regression
Predictive maintenance (PdM) has become a crucial element of modern industrial practice. PdM plays a significant role in operational dependability and cost management by decreasing unforeseen downtime and optimizing asset life cycle management. Machine learning and deep learning have enabled more precise forecasts of equipment failure and remaining useful life (RUL). Although many studies have been conducted on PdM, there has not yet been a standalone comparative study between regression- and classification-based approaches. In this review, we look across a range of PdM methodologies, while focusing more strongly on the comparative use of classification and regression methods in prognostics. While regression-based methods typically provide estimates of RUL, classification-based methods present a forecast of the probability of failure across defined time intervals. Through a comprehensive analysis of recent literature, we highlight key advancements, challenges-such as data imbalance and high-dimensional feature spaces-and emerging trends, including hybrid approaches and AI-enabled prognostic systems. This review aims to provide researchers and practitioners with an awareness of the strengths and compromises of various PdM methods and to help identify future research and build more robust, directed adaptive maintenance systems. Future work may include a systematic review of practical aspects such as public datasets, benchmarking platforms, and open-source tools to support the advancement of PdM research.
comment: 13 pages, 7 figures
☆ Attack Smarter: Attention-Driven Fine-Grained Webpage Fingerprinting Attacks
Website Fingerprinting (WF) attacks aim to infer which websites a user is visiting by analyzing traffic patterns, thereby compromising user anonymity. Although this technique has been demonstrated to be effective in controlled experimental environments, it remains largely limited to small-scale scenarios, typically restricted to recognizing website homepages. In practical settings, however, users frequently access multiple subpages in rapid succession, often before previous content fully loads. WebPage Fingerprinting (WPF) generalizes the WF framework to large-scale environments by modeling subpages of the same site as distinct classes. These pages often share similar page elements, resulting in lower inter-class variance in traffic features. Furthermore, we consider multi-tab browsing scenarios, in which a single trace encompasses multiple categories of webpages. This leads to overlapping traffic segments, and similar features may appear in different positions within the traffic, thereby increasing the difficulty of classification. To address these challenges, we propose an attention-driven fine-grained WPF attack, named ADWPF. Specifically, during the training phase, we apply targeted augmentation to salient regions of the traffic based on attention maps, including attention cropping and attention masking. ADWPF then extracts low-dimensional features from both the original and augmented traffic and applies self-attention modules to capture the global contextual patterns of the trace. Finally, to handle the multi-tab scenario, we employ the residual attention to generate class-specific representations of webpages occurring at different temporal positions. Extensive experiments demonstrate that the proposed method consistently surpasses state-of-the-art baselines across datasets of different scales.
☆ A Modular Multitask Reasoning Framework Integrating Spatio-temporal Models and LLMs
Spatio-temporal data mining plays a pivotal role in informed decision making across diverse domains. However, existing models are often restricted to narrow tasks, lacking the capacity for multi-task inference and complex long-form reasoning that require generation of in-depth, explanatory outputs. These limitations restrict their applicability to real-world, multi-faceted decision scenarios. In this work, we introduce STReason, a novel framework that integrates the reasoning strengths of large language models (LLMs) with the analytical capabilities of spatio-temporal models for multi-task inference and execution. Without requiring task-specific finetuning, STReason leverages in-context learning to decompose complex natural language queries into modular, interpretable programs, which are then systematically executed to generate both solutions and detailed rationales. To facilitate rigorous evaluation, we construct a new benchmark dataset and propose a unified evaluation framework with metrics specifically designed for long-form spatio-temporal reasoning. Experimental results show that STReason significantly outperforms advanced LLM baselines across all metrics, particularly excelling in complex, reasoning-intensive spatio-temporal scenarios. Human evaluations further validate STReason's credibility and practical utility, demonstrating its potential to reduce expert workload and broaden the applicability to real-world spatio-temporal tasks. We believe STReason provides a promising direction for developing more capable and generalizable spatio-temporal reasoning systems.
☆ Multimodal Information Retrieval for Open World with Edit Distance Weak Supervision
Existing multi-media retrieval models either rely on creating a common subspace with modality-specific representation models or require schema mapping among modalities to measure similarities among multi-media data. Our goal is to avoid the annotation overhead incurred from considering retrieval as a supervised classification task and re-use the pretrained encoders in large language models and vision tasks. We propose "FemmIR", a framework to retrieve multimodal results relevant to information needs expressed with multimodal queries by example without any similarity label. Such identification is necessary for real-world applications where data annotations are scarce and satisfactory performance is required without fine-tuning with a common framework across applications. We curate a new dataset called MuQNOL for benchmarking progress on this task. Our technique is based on weak supervision introduced through edit distance between samples: graph edit distance can be modified to consider the cost of replacing a data sample in terms of its properties, and relevance can be measured through the implicit signal from the amount of edit cost among the objects. Unlike metric learning or encoding networks, FemmIR re-uses the high-level properties and maintains the property value and relationship constraints with a multi-level interaction score between data samples and the query example provided by the user. We empirically evaluate FemmIR on a missing person use case with MuQNOL. FemmIR performs comparably to similar retrieval systems in delivering on-demand retrieval results with exact and approximate similarities while using the existing property identifiers in the system.
comment: Submitted to ICDE'24. An earlier version of this paper appeared on TechRxiv: https://www.techrxiv.org/doi/full/10.36227/techrxiv.21990284.v1, uploaded on February 05, 2023
☆ On the Necessity of Output Distribution Reweighting for Effective Class Unlearning
In this work, we introduce an output-reweighting unlearning method, RWFT, a lightweight technique that erases an entire class from a trained classifier without full retraining. Forgetting specific classes from trained models is essential for enforcing user deletion rights and mitigating harmful or biased predictions. The full retraining is costly and existing unlearning methods fail to replicate the behavior of the retrained models when predicting samples from the unlearned class. We prove this failure by designing a variant of membership inference attacks, MIA-NN that successfully reveals the unlearned class for any of these methods. We propose a simple redistribution of the probability mass for the prediction on the samples in the forgotten class which is robust to MIA-NN. We also introduce a new metric based on the total variation (TV) distance of the prediction probabilities to quantify residual leakage to prevent future methods from susceptibility to the new attack. Through extensive experiments with state of the art baselines in machine unlearning, we show that our approach matches the results of full retraining in both metrics used for evaluation by prior work and the new metric we propose in this work. Compare to state-of-the-art methods, we gain 2.79% in previously used metrics and 111.45% in our new TV-based metric over the best existing method.
☆ Omniwise: Predicting GPU Kernels Performance with LLMs
In recent years, the rapid advancement of deep neural networks (DNNs) has revolutionized artificial intelligence, enabling models with unprecedented capabilities in understanding, generating, and processing complex data. These powerful architectures have transformed a wide range of downstream applications, tackling tasks beyond human reach. In this paper, we introduce Omniwise, the first end-to-end, self-supervised fine-tuning pipeline that applies large language models (LLMs) to GPU kernel performance prediction--a novel use case in performance profiling. Omniwise is model-agnostic and lightweight, achieving strong results even with a small 3B-parameter model. It can predict key performance metrics, including memory bandwidth, cache hit rates, GFLOPs, and arithmetic intensity, directly from kernel code without the need for code execution or profiling tools. Our approach achieves over 90% of predictions within 10% relative error on GPU kernels executed on AMD MI250 and MI300X architectures. In addition to the pipeline, we develop an online inference server and a Visual Studio Code plugin that seamlessly integrate LLM-based performance prediction into developers' workflows.
☆ Complex Model Transformations by Reinforcement Learning with Uncertain Human Guidance
Model-driven engineering problems often require complex model transformations (MTs), i.e., MTs that are chained in extensive sequences. Pertinent examples of such problems include model synchronization, automated model repair, and design space exploration. Manually developing complex MTs is an error-prone and often infeasible process. Reinforcement learning (RL) is an apt way to alleviate these issues. In RL, an autonomous agent explores the state space through trial and error to identify beneficial sequences of actions, such as MTs. However, RL methods exhibit performance issues in complex problems. In these situations, human guidance can be of high utility. In this paper, we present an approach and technical framework for developing complex MT sequences through RL, guided by potentially uncertain human advice. Our framework allows user-defined MTs to be mapped onto RL primitives, and executes them as RL programs to find optimal MT sequences. Our evaluation shows that human guidance, even if uncertain, substantially improves RL performance, and results in more efficient development of complex MTs. Through a trade-off between the certainty and timeliness of human advice, our method takes a step towards RL-driven human-in-the-loop engineering methods.
comment: Accepted for ACM/IEEE MODELS'25
☆ Empowering Digital Agriculture: A Privacy-Preserving Framework for Data Sharing and Collaborative Research
Data-driven agriculture, which integrates technology and data into agricultural practices, has the potential to improve crop yield, disease resilience, and long-term soil health. However, privacy concerns, such as adverse pricing, discrimination, and resource manipulation, deter farmers from sharing data, as it can be used against them. To address this barrier, we propose a privacy-preserving framework that enables secure data sharing and collaboration for research and development while mitigating privacy risks. The framework combines dimensionality reduction techniques (like Principal Component Analysis (PCA)) and differential privacy by introducing Laplacian noise to protect sensitive information. The proposed framework allows researchers to identify potential collaborators for a target farmer and train personalized machine learning models either on the data of identified collaborators via federated learning or directly on the aggregated privacy-protected data. It also allows farmers to identify potential collaborators based on similarities. We have validated this on real-life datasets, demonstrating robust privacy protection against adversarial attacks and utility performance comparable to a centralized system. We demonstrate how this framework can facilitate collaboration among farmers and help researchers pursue broader research objectives. The adoption of the framework can empower researchers and policymakers to leverage agricultural data responsibly, paving the way for transformative advances in data-driven agriculture. By addressing critical privacy challenges, this work supports secure data integration, fostering innovation and sustainability in agricultural systems.
comment: arXiv admin note: text overlap with arXiv:2409.06069
☆ Leaner Training, Lower Leakage: Revisiting Memorization in LLM Fine-Tuning with LoRA
Memorization in large language models (LLMs) makes them vulnerable to data extraction attacks. While pre-training memorization has been extensively studied, fewer works have explored its impact in fine-tuning, particularly for LoRA fine-tuning, a widely adopted parameter-efficient method. In this work, we re-examine memorization in fine-tuning and uncover a surprising divergence from prior findings across different fine-tuning strategies. Factors such as model scale and data duplication, which strongly influence memorization in pre-training and full fine-tuning, do not follow the same trend in LoRA fine-tuning. Using a more relaxed similarity-based memorization metric, we demonstrate that LoRA significantly reduces memorization risks compared to full fine-tuning, while still maintaining strong task performance.
☆ Multi-Objective Reinforcement Learning for Cognitive Radar Resource Management
The time allocation problem in multi-function cognitive radar systems focuses on the trade-off between scanning for newly emerging targets and tracking the previously detected targets. We formulate this as a multi-objective optimization problem and employ deep reinforcement learning to find Pareto-optimal solutions and compare deep deterministic policy gradient (DDPG) and soft actor-critic (SAC) algorithms. Our results demonstrate the effectiveness of both algorithms in adapting to various scenarios, with SAC showing improved stability and sample efficiency compared to DDPG. We further employ the NSGA-II algorithm to estimate an upper bound on the Pareto front of the considered problem. This work contributes to the development of more efficient and adaptive cognitive radar systems capable of balancing multiple competing objectives in dynamic environments.
☆ Learning-Based Resource Management in Integrated Sensing and Communication Systems
In this paper, we tackle the task of adaptive time allocation in integrated sensing and communication systems equipped with radar and communication units. The dual-functional radar-communication system's task involves allocating dwell times for tracking multiple targets and utilizing the remaining time for data transmission towards estimated target locations. We introduce a novel constrained deep reinforcement learning (CDRL) approach, designed to optimize resource allocation between tracking and communication under time budget constraints, thereby enhancing target communication quality. Our numerical results demonstrate the efficiency of our proposed CDRL framework, confirming its ability to maximize communication quality in highly dynamic environments while adhering to time constraints.
☆ Uncertainty-Aware Machine-Learning Framework for Predicting Dislocation Plasticity and Stress-Strain Response in FCC Alloys
Machine learning has significantly advanced the understanding and application of structural materials, with an increasing emphasis on integrating existing data and quantifying uncertainties in predictive modeling. This study presents a comprehensive methodology utilizing a mixed density network (MDN) model, trained on extensive experimental data from literature. This approach uniquely predicts the distribution of dislocation density, inferred as a latent variable, and the resulting stress distribution at the grain level. The incorporation of statistical parameters of those predicted distributions into a dislocation-mediated plasticity model allows for accurate stress-strain predictions with explicit uncertainty quantification. This strategy not only improves the accuracy and reliability of mechanical property predictions but also plays a vital role in optimizing alloy design, thereby facilitating the development of new materials in a rapidly evolving industry.
☆ Efficacy of Temporal Fusion Transformers for Runoff Simulation
Combining attention with recurrence has shown to be valuable in sequence modeling, including hydrological predictions. Here, we explore the strength of Temporal Fusion Transformers (TFTs) over Long Short-Term Memory (LSTM) networks in rainfall-runoff modeling. We train ten randomly initialized models, TFT and LSTM, for 531 CAMELS catchments in the US. We repeat the experiment with five subsets of the Caravan dataset, each representing catchments in the US, Australia, Brazil, Great Britain, and Chile. Then, the performance of the models, their variability regarding the catchment attributes, and the difference according to the datasets are assessed. Our findings show that TFT slightly outperforms LSTM, especially in simulating the midsection and peak of hydrographs. Furthermore, we show the ability of TFT to handle longer sequences and why it can be a better candidate for higher or larger catchments. Being an explainable AI technique, TFT identifies the key dynamic and static variables, providing valuable scientific insights. However, both TFT and LSTM exhibit a considerable drop in performance with the Caravan dataset, indicating possible data quality issues. Overall, the study highlights the potential of TFT in improving hydrological modeling and understanding.
☆ Demystifying Distributed Training of Graph Neural Networks for Link Prediction
Graph neural networks (GNNs) are powerful tools for solving graph-related problems. Distributed GNN frameworks and systems enhance the scalability of GNNs and accelerate model training, yet most are optimized for node classification. Their performance on link prediction remains underexplored. This paper demystifies distributed training of GNNs for link prediction by investigating the issue of performance degradation when each worker trains a GNN on its assigned partitioned subgraph without having access to the entire graph. We discover that the main sources of the issue come from not only the information loss caused by graph partitioning but also the ways of drawing negative samples during model training. While sharing the complete graph information with each worker resolves the issue and preserves link prediction accuracy, it incurs a high communication cost. We propose SpLPG, which effectively leverages graph sparsification to mitigate the issue of performance degradation at a reduced communication cost. Experiment results on several public real-world datasets demonstrate the effectiveness of SpLPG, which reduces the communication overhead by up to about 80% while mostly preserving link prediction accuracy.
comment: Accepted by IEEE ICDCS 2025
☆ Universal and Efficient Detection of Adversarial Data through Nonuniform Impact on Network Layers
Deep Neural Networks (DNNs) are notoriously vulnerable to adversarial input designs with limited noise budgets. While numerous successful attacks with subtle modifications to original input have been proposed, defense techniques against these attacks are relatively understudied. Existing defense approaches either focus on improving DNN robustness by negating the effects of perturbations or use a secondary model to detect adversarial data. Although equally important, the attack detection approach, which is studied in this work, provides a more practical defense compared to the robustness approach. We show that the existing detection methods are either ineffective against the state-of-the-art attack techniques or computationally inefficient for real-time processing. We propose a novel universal and efficient method to detect adversarial examples by analyzing the varying degrees of impact of attacks on different DNN layers. {Our method trains a lightweight regression model that predicts deeper-layer features from early-layer features, and uses the prediction error to detect adversarial samples.} Through theoretical arguments and extensive experiments, we demonstrate that our detection method is highly effective, computationally efficient for real-time processing, compatible with any DNN architecture, and applicable across different domains, such as image, video, and audio.
comment: arXiv admin note: substantial text overlap with arXiv:2410.17442
☆ Divide, Specialize, and Route: A New Approach to Efficient Ensemble Learning
Ensemble learning has proven effective in boosting predictive performance, but traditional methods such as bagging, boosting, and dynamic ensemble selection (DES) suffer from high computational cost and limited adaptability to heterogeneous data distributions. To address these limitations, we propose Hellsemble, a novel and interpretable ensemble framework for binary classification that leverages dataset complexity during both training and inference. Hellsemble incrementally partitions the dataset into circles of difficulty by iteratively passing misclassified instances from simpler models to subsequent ones, forming a committee of specialised base learners. Each model is trained on increasingly challenging subsets, while a separate router model learns to assign new instances to the most suitable base model based on inferred difficulty. Hellsemble achieves strong classification accuracy while maintaining computational efficiency and interpretability. Experimental results on OpenML-CC18 and Tabzilla benchmarks demonstrate that Hellsemble often outperforms classical ensemble methods. Our findings suggest that embracing instance-level difficulty offers a promising direction for constructing efficient and robust ensemble systems.
comment: 14 pages, 6 figures
☆ FINN-GL: Generalized Mixed-Precision Extensions for FPGA-Accelerated LSTMs
Recurrent neural networks (RNNs), particularly LSTMs, are effective for time-series tasks like sentiment analysis and short-term stock prediction. However, their computational complexity poses challenges for real-time deployment in resource constrained environments. While FPGAs offer a promising platform for energy-efficient AI acceleration, existing tools mainly target feed-forward networks, and LSTM acceleration typically requires full custom implementation. In this paper, we address this gap by leveraging the open-source and extensible FINN framework to enable the generalized deployment of LSTMs on FPGAs. Specifically, we leverage the Scan operator from the Open Neural Network Exchange (ONNX) specification to model the recurrent nature of LSTM computations, enabling support for mixed quantisation within them and functional verification of LSTM-based models. Furthermore, we introduce custom transformations within the FINN compiler to map the quantised ONNX computation graph to hardware blocks from the HLS kernel library of the FINN compiler and Vitis HLS. We validate the proposed tool-flow by training a quantised ConvLSTM model for a mid-price stock prediction task using the widely used dataset and generating a corresponding hardware IP of the model using our flow, targeting the XCZU7EV device. We show that the generated quantised ConvLSTM accelerator through our flow achieves a balance between performance (latency) and resource consumption, while matching (or bettering) inference accuracy of state-of-the-art models with reduced precision. We believe that the generalisable nature of the proposed flow will pave the way for resource-efficient RNN accelerator designs on FPGAs.
comment: 9 pages, 6 figures, 5 tables, Accepted for publication in IEEE FPL-2025 (https://2025.fpl.org/)
☆ GPU Kernel Scientist: An LLM-Driven Framework for Iterative Kernel Optimization ICML 2025
Optimizing GPU kernels for high performance is a complex task, often demanding deep architectural knowledge, extensive profiling, and iterative experimentation. This challenge is amplified when targeting newer or less-documented GPU architectures where traditional development aids are scarce. This paper introduces an LLM-powered "GPU Kernel Scientist," an automated methodology for iteratively refining accelerator kernels. Our methodology employs LLMs in a multi-stage, evolutionary process: (a) strategically selecting promising prior code versions as a basis for new iterations; (b) generating hypotheses for optimization experiments, based on existing code and assimilated knowledge from general GPU literature; and (c) autonomously implementing these experiments through code modification and subsequent submission to an external evaluation system, using only observed timing data as performance feedback. We detail how this approach navigates the challenges of the AMD MI300 target architecture and leverages LLMs to compensate for limited domain-specific human expertise. Since quantitative results from an ongoing performance competition were embargoed on paper submission date, we present the architectural design, operational workflow, and qualitative insights, highlighting the potential of LLM-driven agents to democratise and accelerate GPU kernel optimization, especially in resource-constrained or rapidly evolving hardware environments.
comment: 4 page paper plus Appendices. Accepted to the ES-FoMo "Efficient Systems for Foundation Models" workshop at ICML 2025
☆ The Ideation-Execution Gap: Execution Outcomes of LLM-Generated versus Human Research Ideas
Large Language Models (LLMs) have shown promise in accelerating the scientific research pipeline. A key capability for this process is the ability to generate novel research ideas, and prior studies have found settings in which LLM-generated research ideas were judged as more novel than human-expert ideas. However, a good idea should not simply appear to be novel, it should also result in better research after being executed. To test whether AI-generated ideas lead to better research outcomes, we conduct an execution study by recruiting 43 expert researchers to execute randomly-assigned ideas, either written by experts or generated by an LLM. Each expert spent over 100 hours implementing the idea and wrote a 4-page short paper to document the experiments. All the executed projects are then reviewed blindly by expert NLP researchers. Comparing the review scores of the same ideas before and after execution, the scores of the LLM-generated ideas decrease significantly more than expert-written ideas on all evaluation metrics (novelty, excitement, effectiveness, and overall; p < 0.05), closing the gap between LLM and human ideas observed at the ideation stage. When comparing the aggregated review scores from the execution study, we even observe that for many metrics there is a flip in rankings where human ideas score higher than LLM ideas. This ideation-execution gap highlights the limitations of current LLMs in generating truly effective research ideas and the challenge of evaluating research ideas in the absence of execution outcomes.
comment: main paper is 14 pages
☆ Structural System Identification via Validation and Adaptation
Estimating the governing equation parameter values is essential for integrating experimental data with scientific theory to understand, validate, and predict the dynamics of complex systems. In this work, we propose a new method for structural system identification (SI), uncertainty quantification, and validation directly from data. Inspired by generative modeling frameworks, a neural network maps random noise to physically meaningful parameters. These parameters are then used in the known equation of motion to obtain fake accelerations, which are compared to real training data via a mean square error loss. To simultaneously validate the learned parameters, we use independent validation datasets. The generated accelerations from these datasets are evaluated by a discriminator network, which determines whether the output is real or fake, and guides the parameter-generator network. Analytical and real experiments show the parameter estimation accuracy and model validation for different nonlinear structural systems.
☆ Stochastic Parameter Decomposition
A key step in reverse engineering neural networks is to decompose them into simpler parts that can be studied in relative isolation. Linear parameter decomposition -- a framework that has been proposed to resolve several issues with current decomposition methods -- decomposes neural network parameters into a sum of sparsely used vectors in parameter space. However, the current main method in this framework, Attribution-based Parameter Decomposition (APD), is impractical on account of its computational cost and sensitivity to hyperparameters. In this work, we introduce \textit{Stochastic Parameter Decomposition} (SPD), a method that is more scalable and robust to hyperparameters than APD, which we demonstrate by decomposing models that are slightly larger and more complex than was possible to decompose with APD. We also show that SPD avoids other issues, such as shrinkage of the learned parameters, and better identifies ground truth mechanisms in toy models. By bridging causal mediation analysis and network decomposition methods, this demonstration opens up new research possibilities in mechanistic interpretability by removing barriers to scaling linear parameter decomposition methods to larger models. We release a library for running SPD and reproducing our experiments at https://github.com/goodfire-ai/spd.
☆ Spiking Neural Networks for SAR Interferometric Phase Unwrapping: A Theoretical Framework for Energy-Efficient Processing
We present the first theoretical framework for applying spiking neural networks (SNNs) to synthetic aperture radar (SAR) interferometric phase unwrapping. Despite extensive research in both domains, our comprehensive literature review confirms that SNNs have never been applied to phase unwrapping, representing a significant gap in current methodologies. As Earth observation data volumes continue to grow exponentially (with missions like NISAR expected to generate 100PB in two years) energy-efficient processing becomes critical for sustainable data center operations. SNNs, with their event-driven computation model, offer potential energy savings of 30-100x compared to conventional approaches while maintaining comparable accuracy. We develop spike encoding schemes specifically designed for wrapped phase data, propose SNN architectures that leverage the spatial propagation nature of phase unwrapping, and provide theoretical analysis of computational complexity and convergence properties. Our framework demonstrates how the temporal dynamics inherent in SNNs can naturally model the spatial continuity constraints fundamental to phase unwrapping. This work opens a new research direction at the intersection of neuromorphic computing and SAR interferometry, offering a complementary approach to existing algorithms that could enable more sustainable large-scale InSAR processing.
comment: 8 pages, 2 figures, patent pending
☆ Stable Minima of ReLU Neural Networks Suffer from the Curse of Dimensionality: The Neural Shattering Phenomenon
We study the implicit bias of flatness / low (loss) curvature and its effects on generalization in two-layer overparameterized ReLU networks with multivariate inputs -- a problem well motivated by the minima stability and edge-of-stability phenomena in gradient-descent training. Existing work either requires interpolation or focuses only on univariate inputs. This paper presents new and somewhat surprising theoretical results for multivariate inputs. On two natural settings (1) generalization gap for flat solutions, and (2) mean-squared error (MSE) in nonparametric function estimation by stable minima, we prove upper and lower bounds, which establish that while flatness does imply generalization, the resulting rates of convergence necessarily deteriorate exponentially as the input dimension grows. This gives an exponential separation between the flat solutions vis-\`a-vis low-norm solutions (i.e., weight decay), which knowingly do not suffer from the curse of dimensionality. In particular, our minimax lower bound construction, based on a novel packing argument with boundary-localized ReLU neurons, reveals how flat solutions can exploit a kind of ''neural shattering'' where neurons rarely activate, but with high weight magnitudes. This leads to poor performance in high dimensions. We corroborate these theoretical findings with extensive numerical simulations. To the best of our knowledge, our analysis provides the first systematic explanation for why flat minima may fail to generalize in high dimensions.
comment: Comments Welcome!
☆ Stochastic and Non-local Closure Modeling for Nonlinear Dynamical Systems via Latent Score-based Generative Models
We propose a latent score-based generative AI framework for learning stochastic, non-local closure models and constitutive laws in nonlinear dynamical systems of computational mechanics. This work addresses a key challenge of modeling complex multiscale dynamical systems without a clear scale separation, for which numerically resolving all scales is prohibitively expensive, e.g., for engineering turbulent flows. While classical closure modeling methods leverage domain knowledge to approximate subgrid-scale phenomena, their deterministic and local assumptions can be too restrictive in regimes lacking a clear scale separation. Recent developments of diffusion-based stochastic models have shown promise in the context of closure modeling, but their prohibitive computational inference cost limits practical applications for many real-world applications. This work addresses this limitation by jointly training convolutional autoencoders with conditional diffusion models in the latent spaces, significantly reducing the dimensionality of the sampling process while preserving essential physical characteristics. Numerical results demonstrate that the joint training approach helps discover a proper latent space that not only guarantees small reconstruction errors but also ensures good performance of the diffusion model in the latent space. When integrated into numerical simulations, the proposed stochastic modeling framework via latent conditional diffusion models achieves significant computational acceleration while maintaining comparable predictive accuracy to standard diffusion models in physical spaces.
☆ Control and optimization for Neural Partial Differential Equations in Supervised Learning
Although there is a substantial body of literature on control and optimization problems for parabolic and hyperbolic systems, the specific problem of controlling and optimizing the coefficients of the associated operators within such systems has not yet been thoroughly explored. In this work, we aim to initiate a line of research in control theory focused on optimizing and controlling the coefficients of these operators-a problem that naturally arises in the context of neural networks and supervised learning. In supervised learning, the primary objective is to transport initial data toward target data through the layers of a neural network. We propose a novel perspective: neural networks can be interpreted as partial differential equations (PDEs). From this viewpoint, the control problem traditionally studied in the context of ordinary differential equations (ODEs) is reformulated as a control problem for PDEs, specifically targeting the optimization and control of coefficients in parabolic and hyperbolic operators. To the best of our knowledge, this specific problem has not yet been systematically addressed in the control theory of PDEs. To this end, we propose a dual system formulation for the control and optimization problem associated with parabolic PDEs, laying the groundwork for the development of efficient numerical schemes in future research. We also provide a theoretical proof showing that the control and optimization problem for parabolic PDEs admits minimizers. Finally, we investigate the control problem associated with hyperbolic PDEs and prove the existence of solutions for a corresponding approximated control problem.
☆ Characterization and Mitigation of Training Instabilities in Microscaling Formats
Training large language models is an expensive, compute-bound process that must be repeated as models scale, algorithms improve, and new data is collected. To address this, next-generation hardware accelerators increasingly support lower-precision arithmetic formats, such as the Microscaling (MX) formats introduced in NVIDIA's Blackwell architecture. These formats use a shared scale within blocks of parameters to extend representable range and perform forward/backward GEMM operations in reduced precision for efficiency gains. In this work, we investigate the challenges and viability of block-scaled precision formats during model training. Across nearly one thousand language models trained from scratch -- spanning compute budgets from $2 \times 10^{17}$ to $4.8 \times 10^{19}$ FLOPs and sweeping over a broad range of weight-activation precision combinations -- we consistently observe that training in MX formats exhibits sharp, stochastic instabilities in the loss, particularly at larger compute scales. To explain this phenomenon, we conduct controlled experiments and ablations on a smaller proxy model that exhibits similar behavior as the language model, sweeping across architectural settings, hyperparameters, and precision formats. These experiments motivate a simple model in which multiplicative gradient bias introduced by the quantization of layer-norm affine parameters and a small fraction of activations can trigger runaway divergence. Through \emph{in situ} intervention experiments on our proxy model, we demonstrate that instabilities can be averted or delayed by modifying precision schemes mid-training. Guided by these findings, we evaluate stabilization strategies in the LLM setting and show that certain hybrid configurations recover performance competitive with full-precision training. We release our code at https://github.com/Hither1/systems-scaling.
comment: 14 pages + appendices
☆ Multiple Streams of Relation Extraction: Enriching and Recalling in Transformers
When an LLM learns a relation during finetuning (e.g., new movie releases, corporate mergers, etc.), where does this information go? Is it extracted when the model processes an entity, recalled just-in-time before a prediction, or are there multiple separate heuristics? Existing localization approaches (e.g. activation patching) are ill-suited for this analysis because they tend to replace parts of the residual stream, potentially deleting information. To fill this gap, we propose dynamic weight-grafting between fine-tuned and pre-trained language models to show that fine-tuned language models both (1) extract relation information learned during finetuning while processing entities and (2) ``recall" this information in later layers while generating predictions. In some cases, models need both of these pathways to correctly generate finetuned information while, in other cases, a single ``enrichment" or ``recall" pathway alone is sufficient. We examine the necessity and sufficiency of these information pathways, examining what layers they occur at, how much redundancy they exhibit, and which model components are involved -- finding that the ``recall" pathway occurs via both task-specific attention mechanisms and a relation extraction step in the output of the attention and the feedforward networks at the final layers before next token prediction.
☆ A Survey of AI for Materials Science: Foundation Models, LLM Agents, Datasets, and Tools
Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are typically narrow in scope and require task-specific engineering, FMs offer cross-domain generalization and exhibit emergent capabilities. Their versatility is especially well-suited to materials science, where research challenges span diverse data types and scales. This survey provides a comprehensive overview of foundation models, agentic systems, datasets, and computational tools supporting this growing field. We introduce a task-driven taxonomy encompassing six broad application areas: data extraction, interpretation and Q\&A; atomistic simulation; property prediction; materials structure, design and discovery; process planning, discovery, and optimization; and multiscale modeling. We discuss recent advances in both unimodal and multimodal FMs, as well as emerging large language model (LLM) agents. Furthermore, we review standardized datasets, open-source tools, and autonomous experimental platforms that collectively fuel the development and integration of FMs into research workflows. We assess the early successes of foundation models and identify persistent limitations, including challenges in generalizability, interpretability, data imbalance, safety concerns, and limited multimodal fusion. Finally, we articulate future research directions centered on scalable pretraining, continual learning, data governance, and trustworthiness.
☆ Test-time Scaling Techniques in Theoretical Physics -- A Comparison of Methods on the TPBench Dataset
Large language models (LLMs) have shown strong capabilities in complex reasoning, and test-time scaling techniques can enhance their performance with comparably low cost. Many of these methods have been developed and evaluated on mathematical reasoning benchmarks such as AIME. This paper investigates whether the lessons learned from these benchmarks generalize to the domain of advanced theoretical physics. We evaluate a range of common test-time scaling methods on the TPBench physics dataset and compare their effectiveness with results on AIME. To better leverage the structure of physics problems, we develop a novel, symbolic weak-verifier framework to improve parallel scaling results. Our empirical results demonstrate that this method significantly outperforms existing test-time scaling approaches on TPBench. We also evaluate our method on AIME, confirming its effectiveness in solving advanced mathematical problems. Our findings highlight the power of step-wise symbolic verification for tackling complex scientific problems.
comment: 23 pages, 6 figures
☆ On Convolutions, Intrinsic Dimension, and Diffusion Models
The manifold hypothesis asserts that data of interest in high-dimensional ambient spaces, such as image data, lies on unknown low-dimensional submanifolds. Diffusion models (DMs) -- which operate by convolving data with progressively larger amounts of Gaussian noise and then learning to revert this process -- have risen to prominence as the most performant generative models, and are known to be able to learn distributions with low-dimensional support. For a given datum in one of these submanifolds, we should thus intuitively expect DMs to have implicitly learned its corresponding local intrinsic dimension (LID), i.e. the dimension of the submanifold it belongs to. Kamkari et al. (2024b) recently showed that this is indeed the case by linking this LID to the rate of change of the log marginal densities of the DM with respect to the amount of added noise, resulting in an LID estimator known as FLIPD. LID estimators such as FLIPD have a plethora of uses, among others they quantify the complexity of a given datum, and can be used to detect outliers, adversarial examples and AI-generated text. FLIPD achieves state-of-the-art performance at LID estimation, yet its theoretical underpinnings are incomplete since Kamkari et al. (2024b) only proved its correctness under the highly unrealistic assumption of affine submanifolds. In this work we bridge this gap by formally proving the correctness of FLIPD under realistic assumptions. Additionally, we show that an analogous result holds when Gaussian convolutions are replaced with uniform ones, and discuss the relevance of this result.
☆ Diffusion Tree Sampling: Scalable inference-time alignment of diffusion models
Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases guidance. Moreover, information from past runs is not reused to improve sample quality, resulting in inefficient use of compute. Inspired by the success of Monte Carlo Tree Search, we address these limitations by casting inference-time alignment as a search problem that reuses past computations. We introduce a tree-based approach that samples from the reward-aligned target density by propagating terminal rewards back through the diffusion chain and iteratively refining value estimates with each additional generation. Our proposed method, Diffusion Tree Sampling (DTS), produces asymptotically exact samples from the target distribution in the limit of infinite rollouts, and its greedy variant, Diffusion Tree Search (DTS$^\star$), performs a global search for high reward samples. On MNIST and CIFAR-10 class-conditional generation, DTS matches the FID of the best-performing baseline with up to $10\times$ less compute. In text-to-image generation and language completion tasks, DTS$^\star$ effectively searches for high reward samples that match best-of-N with up to $5\times$ less compute. By reusing information from previous generations, we get an anytime algorithm that turns additional compute into steadily better samples, providing a scalable approach for inference-time alignment of diffusion models.
☆ On Context-Content Uncertainty Principle
The Context-Content Uncertainty Principle (CCUP) proposes that inference under uncertainty is governed by an entropy asymmetry between context and content: high-entropy contexts must be interpreted through alignment with low-entropy, structured content. In this paper, we develop a layered computational framework that derives operational principles from this foundational asymmetry. At the base level, CCUP formalizes inference as directional entropy minimization, establishing a variational gradient that favors content-first structuring. Building upon this, we identify four hierarchical layers of operational principles: (\textbf{L1}) \emph{Core Inference Constraints}, including structure-before-specificity, asymmetric inference flow, cycle-consistent bootstrapping, and conditional compression, all shown to be mutually reducible; (\textbf{L2}) \emph{Resource Allocation Principles}, such as precision-weighted attention, asymmetric learning rates, and attractor-based memory encoding; (\textbf{L3}) \emph{Temporal Bootstrapping Dynamics}, which organize learning over time via structure-guided curricula; and (\textbf{L4}) \emph{Spatial Hierarchical Composition}, which integrates these mechanisms into self-organizing cycles of memory, inference, and planning. We present formal equivalence theorems, a dependency lattice among principles, and computational simulations demonstrating the efficiency gains of CCUP-aligned inference. This work provides a unified theoretical foundation for understanding how brains and machines minimize uncertainty through recursive structure-specificity alignment. The brain is not just an inference machine. It is a cycle-consistent entropy gradient resolver, aligning structure and specificity via path-dependent, content-seeded simulation.
☆ scMamba: A Scalable Foundation Model for Single-Cell Multi-Omics Integration Beyond Highly Variable Feature Selection
The advent of single-cell multi-omics technologies has enabled the simultaneous profiling of diverse omics layers within individual cells. Integrating such multimodal data provides unprecedented insights into cellular identity, regulatory processes, and disease mechanisms. However, it remains challenging, as current methods often rely on selecting highly variable genes or peaks during preprocessing, which may inadvertently discard crucial biological information. Here, we present scMamba, a foundation model designed to integrate single-cell multi-omics data without the need for prior feature selection while preserving genomic positional information. scMamba introduces a patch-based cell tokenization strategy that treats genomics regions as words (tokens) and cells as sentences. Building upon the concept of state space duality, scMamba distills rich biological insights from high-dimensional, sparse single-cell multi-omics data. Additionally, our novel contrastive learning approach, enhanced with cosine similarity regularization, enables superior alignment across omics layers compared to traditional methods. Systematic benchmarking across multiple datasets demonstrates that scMamba significantly outperforms state-of-the-art methods in preserving biological variation, aligning omics layers, and enhancing key downstream tasks such as clustering, cell type annotation, and trajectory inference. Our findings position scMamba as a powerful tool for large-scale single-cell multi-omics integration, capable of handling large-scale atlases and advancing biological discovery.
☆ Signatures of planets and Galactic subpopulations in solar analogs. Precise chemical abundances with neural networks
The aim of this work is to obtain precise atmospheric parameters and chemical abundances automatically for solar twins and analogs to find signatures of exoplanets, as well as to assess how peculiar the Sun is compared to these stars and to analyze any possible fine structures in the Galactic thin disk. We developed a neural network (NN) algorithm using Python to obtain these parameters for a sample of 99 solar twins and solar analogs previously studied in the literature from normalized high-quality spectra from HARPS, with a resolving power of R $\sim$ 115000 and a signal-to-noise ratio S/N > 400. We obtained precise atmospheric parameters and abundance ratios [X/Fe] of 20 chemical elements (Li, C, O, Na, Mg, Al, Si, S, Ca, Sc, Ti, V, Cr, Mn, Co, Ni, Cu, Zn, Y, and Ba). The results are in line with the literature, with average differences and standard deviations of $(2 \pm 27)$ K for T$_{\rm eff}$, $(0.00 \pm 0.06)$ dex for log g, $(0.00 \pm 0.02)$ dex for [Fe/H], $(-0.01 \pm 0.05)$ km s$^{-1}$ for microturbulence velocity, $(0.02 \pm 0.08)$ km s$^{-1}$ for the macro turbulence velocity, and $(-0.12 \pm 0.26)$ km s$^{-1}$ for the projected rotational velocity (vsin$i$). Regarding the chemical abundances, most of the elements agree with the literature within 0.01 - 0.02 dex. The abundances were corrected from the effects of the Galactic chemical evolution and analyzed with the condensation temperature (T$_{\rm cond}$) to verify whether the stars presented depletion of refractories compared to volatiles. We found that the Sun is more depleted in refractory elements compared to volatiles than 89% of the studied solar analogs, with a significance of 9.5$\sigma$ when compared to the stars without detected exoplanets. We also found the possible presence of three subpopulations in the solar analogs: one Cu-rich, one Cu-poor, and the last one slightly older and poor in Na.
comment: Accepted by A&A
♻ ☆ Data Quality in Crowdsourcing and Spamming Behavior Detection
As crowdsourcing emerges as an efficient and cost-effective method for obtaining labels for machine learning datasets, it is important to assess the quality of crowd-provided data, so as to improve analysis performance and reduce biases in subsequent machine learning tasks. Given the lack of ground truth in most cases of crowdsourcing, we refer to data quality as annotators' consistency and credibility. Unlike the simple scenarios where Kappa coefficient and intraclass correlation coefficient usually can apply, online crowdsourcing requires dealing with more complex situations. We introduce a systematic method for evaluating data quality and detecting spamming threats via variance decomposition, and we classify spammers into three categories based on their different behavioral patterns. A spammer index is proposed to assess entire data consistency, and two metrics are developed to measure crowd workers' credibility by utilizing the Markov chain and generalized random effects models. Furthermore, we showcase the practicality of our techniques and their advantages by applying them on a face verification task with both simulation and real-world data collected from two crowdsourcing platforms.
comment: Preprint paper, accepted on Behavior Research Methods. 56 pages, 14 figures
♻ ☆ Balancing the Scales: A Theoretical and Algorithmic Framework for Learning from Imbalanced Data ICML 2025
Class imbalance remains a major challenge in machine learning, especially in multi-class problems with long-tailed distributions. Existing methods, such as data resampling, cost-sensitive techniques, and logistic loss modifications, though popular and often effective, lack solid theoretical foundations. As an example, we demonstrate that cost-sensitive methods are not Bayes-consistent. This paper introduces a novel theoretical framework for analyzing generalization in imbalanced classification. We then propose a new class-imbalanced margin loss function for both binary and multi-class settings, prove its strong $H$-consistency, and derive corresponding learning guarantees based on empirical loss and a new notion of class-sensitive Rademacher complexity. Leveraging these theoretical results, we devise novel and general learning algorithms, IMMAX (Imbalanced Margin Maximization), which incorporate confidence margins and are applicable to various hypothesis sets. While our focus is theoretical, we also present extensive empirical results demonstrating the effectiveness of our algorithms compared to existing baselines.
comment: ICML 2025
♻ ☆ Probing Quantum Spin Systems with Kolmogorov-Arnold Neural Network Quantum States
Neural Quantum States (NQS) are a class of variational wave functions parametrized by neural networks (NNs) to study quantum many-body systems. In this work, we propose \texttt{SineKAN}, a NQS \textit{ansatz} based on Kolmogorov-Arnold Networks (KANs), to represent quantum mechanical wave functions as nested univariate functions. We show that \texttt{SineKAN} wavefunction with learnable sinusoidal activation functions can capture the ground state energies, fidelities and various correlation functions of the one dimensional Transverse-Field Ising model, Anisotropic Heisenberg model, and Antiferromagnetic $J_{1}-J_{2}$ model with different chain lengths. In our study of the $J_1-J_2$ model with $L=100$ sites, we find that the \texttt{SineKAN} model outperforms several previously explored neural quantum state \textit{ans\"atze}, including Restricted Boltzmann Machines (RBMs), Long Short-Term Memory models (LSTMs), and Multi-layer Perceptrons (MLP) \textit{a.k.a.} Feed Forward Neural Networks, when compared to the results obtained from the Density Matrix Renormalization Group (DMRG) algorithm. We find that \texttt{SineKAN} models can be trained to high precisions and accuracies with minimal computational costs.
comment: 16 pages, 13 figures
♻ ☆ Recycling the Web: A Method to Enhance Pre-training Data Quality and Quantity for Language Models
Scaling laws predict that the performance of large language models improves with increasing model size and data size. In practice, pre-training has been relying on massive web crawls, using almost all data sources publicly available on the internet so far. However, this pool of natural data does not grow at the same rate as the compute supply. Furthermore, the availability of high-quality texts is even more limited: data filtering pipelines often remove up to 99% of the initial web scrapes to achieve state-of-the-art. To address the "data wall" of pre-training scaling, our work explores ways to transform and recycle data discarded in existing filtering processes. We propose REWIRE, REcycling the Web with guIded REwrite, a method to enrich low-quality documents so that they could become useful for training. This in turn allows us to increase the representation of synthetic data in the final pre-training set. Experiments at 1B, 3B and 7B scales of the DCLM benchmark show that mixing high-quality raw texts and our rewritten texts lead to 1.0, 1.3 and 2.5 percentage points improvement respectively across 22 diverse tasks, compared to training on only filtered web data. Training on the raw-synthetic data mix is also more effective than having access to 2x web data. Through further analysis, we demonstrate that about 82% of the mixed in texts come from transforming lower-quality documents that would otherwise be discarded. REWIRE also outperforms related approaches of generating synthetic data, including Wikipedia-style paraphrasing, question-answer synthesizing and knowledge extraction. These results suggest that recycling web texts holds the potential for being a simple and effective approach for scaling pre-training data.
♻ ☆ Do Concept Bottleneck Models Respect Localities?
Concept-based explainability methods use human-understandable intermediaries to produce explanations for machine learning models. These methods assume concept predictions can help understand a model's internal reasoning. In this work, we assess the degree to which such an assumption is true by analyzing whether concept predictors leverage "relevant" features to make predictions, a term we call locality. Concept-based models that fail to respect localities also fail to be explainable because concept predictions are based on spurious features, making the interpretation of the concept predictions vacuous. To assess whether concept-based models respect localities, we construct and use three metrics to characterize when models respect localities, complementing our analysis with theoretical results. Each of our metrics captures a different notion of perturbation and assess whether perturbing "irrelevant" features impacts the predictions made by a concept predictors. We find that many concept-based models used in practice fail to respect localities because concept predictors cannot always clearly distinguish distinct concepts. Based on these findings, we propose suggestions for alleviating this issue.
comment: Published at TMLR
♻ ☆ From $\mathcal{O}(n^{2})$ to $\mathcal{O}(n)$ Parameters: Quantum Self-Attention in Vision Transformers for Biomedical Image Classification MICCAI 2025
We demonstrate that quantum vision transformers (QViTs), vision transformers (ViTs) with self-attention (SA) mechanisms replaced by quantum self-attention (QSA) mechanisms, can match state-of-the-art (SOTA) biomedical image classifiers while using 99.99% fewer parameters. QSAs are produced by replacing linear SA layers with parameterised quantum neural networks (QNNs), producing a QSA mechanism and reducing parameter scaling from $\mathcal{O}(n^2)$ to $\mathcal{O}(n)$. On RetinaMNIST, our ultra parameter-efficient QViT outperforms 13/14 SOTA methods including CNNs and ViTs, achieving 56.5% accuracy, just 0.88% below the top MedMamba model while using 99.99% fewer parameters (1K vs 14.5M) and 89% fewer GFLOPs. We present the first investigation of knowledge distillation (KD) from classical to quantum vision transformers in biomedical image classification, showing that QViTs maintain comparable performance to classical ViTs across eight diverse datasets spanning multiple modalities, with improved QSA parameter-efficiency. Our higher-qubit architecture benefitted more from KD pre-training, suggesting a scaling relationship between QSA parameters and KD effectiveness. These findings establish QSA as a practical architectural choice toward parameter-efficient biomedical image analysis.
comment: Submitted for EMA4MICCAI 2025
♻ ☆ LT-PINN: Lagrangian Topology-conscious Physics-informed Neural Network for Boundary-focused Engineering Optimization
Physics-informed neural networks (PINNs) have emerged as a powerful meshless tool for topology optimization, capable of simultaneously determining optimal topologies and physical solutions. However, conventional PINNs rely on density-based topology descriptions, which necessitate manual interpolation and limit their applicability to complex geometries. To address this, we propose Lagrangian topology-conscious PINNs (LT-PINNs), a novel framework for boundary-focused engineering optimization. By parameterizing the control variables of topology boundary curves as learnable parameters, LT-PINNs eliminate the need for manual interpolation and enable precise boundary determination. We further introduce specialized boundary condition loss function and topology loss function to ensure sharp and accurate boundary representations, even for intricate topologies. The accuracy and robustness of LT-PINNs are validated via two types of partial differential equations (PDEs), including elastic equation with Dirichlet boundary conditions and Laplace's equation with Neumann boundary conditions. Furthermore, we demonstrate effectiveness of LT-PINNs on more complex time-dependent and time-independent flow problems without relying on measurement data, and showcase their engineering application potential in flow velocity rearrangement, transforming a uniform upstream velocity into a sine-shaped downstream profile. The results demonstrate (1) LT-PINNs achieve substantial reductions in relative L2 errors compared with the state-of-art density topology-oriented PINNs (DT-PINNs), (2) LT-PINNs can handle arbitrary boundary conditions, making them suitable for a wide range of PDEs, and (3) LT-PINNs can infer clear topology boundaries without manual interpolation, especially for complex topologies.
♻ ☆ FluoroSAM: A Language-promptable Foundation Model for Flexible X-ray Image Segmentation
Language promptable X-ray image segmentation would enable greater flexibility for human-in-the-loop workflows in diagnostic and interventional precision medicine. Prior efforts have contributed task-specific models capable of solving problems within a narrow scope, but expanding to broader use requires additional data, annotations, and training time. Recently, language-aligned foundation models (LFMs) -- machine learning models trained on large amounts of highly variable image and text data thus enabling broad applicability -- have emerged as promising tools for automated image analysis. Existing foundation models for medical image analysis focus on scenarios and modalities where large, richly annotated datasets are available. However, the X-ray imaging modality features highly variable image appearance and applications, from diagnostic chest X-rays to interventional fluoroscopy, with varying availability of data. To pave the way toward an LFM for comprehensive and language-aligned analysis of arbitrary medical X-ray images, we introduce FluoroSAM, a language-promptable variant of the Segment Anything Model, trained from scratch on 3M synthetic X-ray images from a wide variety of human anatomies, imaging geometries, and viewing angles. These include pseudo-ground truth masks for 128 organ types and 464 tools with associated text descriptions. FluoroSAM is capable of segmenting myriad anatomical structures and tools based on natural language prompts, thanks to the novel incorporation of vector quantization (VQ) of text embeddings in the training process. We demonstrate FluoroSAM's performance quantitatively on real X-ray images and showcase on several applications how FluoroSAM is a key enabler for rich human-machine interaction in the X-ray image acquisition and analysis context. Code is available at https://github.com/arcadelab/fluorosam.
♻ ☆ On the Role of Context in Reading Time Prediction EMNLP 2024
We present a new perspective on how readers integrate context during real-time language comprehension. Our proposals build on surprisal theory, which posits that the processing effort of a linguistic unit (e.g., a word) is an affine function of its in-context information content. We first observe that surprisal is only one out of many potential ways that a contextual predictor can be derived from a language model. Another one is the pointwise mutual information (PMI) between a unit and its context, which turns out to yield the same predictive power as surprisal when controlling for unigram frequency. Moreover, both PMI and surprisal are correlated with frequency. This means that neither PMI nor surprisal contains information about context alone. In response to this, we propose a technique where we project surprisal onto the orthogonal complement of frequency, yielding a new contextual predictor that is uncorrelated with frequency. Our experiments show that the proportion of variance in reading times explained by context is a lot smaller when context is represented by the orthogonalized predictor. From an interpretability standpoint, this indicates that previous studies may have overstated the role that context has in predicting reading times.
comment: EMNLP 2024; preprocessing was corrected to exclude variance due to word skipping and the conclusions remain unchanged
♻ ☆ Rethinking Early Stopping: Refine, Then Calibrate
Machine learning classifiers often produce probabilistic predictions that are critical for accurate and interpretable decision-making in various domains. The quality of these predictions is generally evaluated with proper losses, such as cross-entropy, which decompose into two components: calibration error assesses general under/overconfidence, while refinement error measures the ability to distinguish different classes. In this paper, we present a novel variational formulation of the calibration-refinement decomposition that sheds new light on post-hoc calibration, and enables rapid estimation of the different terms. Equipped with this new perspective, we provide theoretical and empirical evidence that calibration and refinement errors are not minimized simultaneously during training. Selecting the best epoch based on validation loss thus leads to a compromise point that is suboptimal for both terms. To address this, we propose minimizing refinement error only during training (Refine,...), before minimizing calibration error post hoc, using standard techniques (...then Calibrate). Our method integrates seamlessly with any classifier and consistently improves performance across diverse classification tasks.
♻ ☆ Unlocking In-Context Learning for Natural Datasets Beyond Language Modelling
Large Language Models (LLMs) exhibit In-Context Learning (ICL), which enables the model to perform new tasks conditioning only on the examples provided in the context without updating the model's weights. While ICL offers fast adaptation across natural language tasks and domains, its emergence is less straightforward for modalities beyond text. In this work, we systematically uncover properties present in LLMs that support the emergence of ICL for autoregressive models and various modalities by promoting the learning of the needed mechanisms for ICL. We identify exact token repetitions in the training data sequences as an important factor for ICL. Such repetitions further improve stability and reduce transiency in ICL performance. Moreover, we emphasise the significance of training task difficulty for the emergence of ICL. Finally, by applying our novel insights on ICL emergence, we unlock ICL capabilities for various visual datasets and a more challenging EEG classification task in a few-shot learning regime.
♻ ☆ TabArena: A Living Benchmark for Machine Learning on Tabular Data
With the growing popularity of deep learning and foundation models for tabular data, the need for standardized and reliable benchmarks is higher than ever. However, current benchmarks are static. Their design is not updated even if flaws are discovered, model versions are updated, or new models are released. To address this, we introduce TabArena, the first continuously maintained living tabular benchmarking system. To launch TabArena, we manually curate a representative collection of datasets and well-implemented models, conduct a large-scale benchmarking study to initialize a public leaderboard, and assemble a team of experienced maintainers. Our results highlight the influence of validation method and ensembling of hyperparameter configurations to benchmark models at their full potential. While gradient-boosted trees are still strong contenders on practical tabular datasets, we observe that deep learning methods have caught up under larger time budgets with ensembling. At the same time, foundation models excel on smaller datasets. Finally, we show that ensembles across models advance the state-of-the-art in tabular machine learning and investigate the contributions of individual models. We launch TabArena with a public leaderboard, reproducible code, and maintenance protocols to create a living benchmark available at https://tabarena.ai.
comment: v2: fixed author list. 51 pages. Code available at https://tabarena.ai/code; examples at https://tabarena.ai/code-examples; dataset curation at https://tabarena.ai/data-tabular-ml-iid-study and https://tabarena.ai/dataset-curation
♻ ☆ Contextual Optimization under Covariate Shift: A Robust Approach by Intersecting Wasserstein Balls
In contextual optimization, a decision-maker leverages contextual information, often referred to as covariates, to better resolve uncertainty and make informed decisions. In this paper, we examine the challenges of contextual decision-making under covariate shift, a phenomenon where the distribution of covariates differs between the training and test environments. Such shifts can lead to inaccurate upstream estimations for test covariates that lie far from the training data, ultimately resulting in suboptimal downstream decisions. To tackle these challenges, we propose a novel approach called Intersection Wasserstein-balls DRO (IW-DRO), which integrates multiple estimation methods into the distributionally robust optimization (DRO) framework. At the core of our approach is an innovative ambiguity set defined as the intersection of two Wasserstein balls, with their centers constructed using appropriate nonparametric and parametric estimators. On the computational side, we reformulate the IW-DRO problem as a tractable convex program and develop an approximate algorithm tailored for large-scale problems to enhance computational efficiency. From a theoretical perspective, we demonstrate that IW-DRO achieves superior performance compared to single Wasserstein-ball DRO models. We further establish performance guarantees by analyzing the coverage of the intersection ambiguity set and the measure concentration of both estimators under the Wasserstein distance. Notably, we derive a finite-sample concentration result for the Nadaraya-Watson kernel estimator under covariate shift. The proposed IW-DRO framework offers practical value for decision-makers operating in uncertain environments affected by covariate shifts.
♻ ☆ Adversarial Reasoning at Jailbreaking Time ICML 2025
As large language models (LLMs) are becoming more capable and widespread, the study of their failure cases is becoming increasingly important. Recent advances in standardizing, measuring, and scaling test-time compute suggest new methodologies for optimizing models to achieve high performance on hard tasks. In this paper, we apply these advances to the task of model jailbreaking: eliciting harmful responses from aligned LLMs. We develop an adversarial reasoning approach to automatic jailbreaking that leverages a loss signal to guide the test-time compute, achieving SOTA attack success rates against many aligned LLMs, even those that aim to trade inference-time compute for adversarial robustness. Our approach introduces a new paradigm in understanding LLM vulnerabilities, laying the foundation for the development of more robust and trustworthy AI systems.
comment: Accepted to the 42nd International Conference on Machine Learning (ICML 2025)
♻ ☆ Attention with Trained Embeddings Provably Selects Important Tokens
Token embeddings play a crucial role in language modeling but, despite this practical relevance, their theoretical understanding remains limited. Our paper addresses the gap by characterizing the structure of embeddings obtained via gradient descent. Specifically, we consider a one-layer softmax attention model with a linear head for binary classification, i.e., $\texttt{Softmax}( p^\top E_X^\top ) E_X v = \frac{ \sum_{i=1}^T \exp(p^\top E_{x_i}) E_{x_i}^\top v}{\sum_{j=1}^T \exp(p^\top E_{x_{j}}) }$, where $E_X = [ E_{x_1} , \dots, E_{x_T} ]^\top$ contains the embeddings of the input sequence, $p$ is the embedding of the $\mathrm{\langle cls \rangle}$ token and $v$ the output vector. First, we show that, already after a single step of gradient training with the logistic loss, the embeddings $E_X$ capture the importance of tokens in the dataset by aligning with the output vector $v$ proportionally to the frequency with which the corresponding tokens appear in the dataset. Then, after training $p$ via gradient flow until convergence, the softmax selects the important tokens in the sentence (i.e., those that are predictive of the label), and the resulting $\mathrm{\langle cls \rangle}$ embedding maximizes the margin for such a selection. Experiments on real-world datasets (IMDB, Yelp) exhibit a phenomenology close to that unveiled by our theory.
comment: Fix mistakes in Lemma 4.2 and proof of Lemma 4.5, and some other minor changes
♻ ☆ Variational Learning Finds Flatter Solutions at the Edge of Stability
Variational Learning (VL) has recently gained popularity for training deep neural networks and is competitive to standard learning methods. Part of its empirical success can be explained by theories such as PAC-Bayes bounds, minimum description length and marginal likelihood, but there are few tools to unravel the implicit regularization in play. Here, we analyze the implicit regularization of VL through the Edge of Stability (EoS) framework. EoS has previously been used to show that gradient descent can find flat solutions and we extend this result to VL to show that it can find even flatter solutions. This is obtained by controlling the posterior covariance and the number of Monte Carlo samples from the posterior. These results are derived in a similar fashion as the standard EoS literature for deep learning, by first deriving a result for a quadratic problem and then extending it to deep neural networks. We empirically validate these findings on a wide variety of large networks, such as ResNet and ViT, to find that the theoretical results closely match the empirical ones. Ours is the first work to analyze the EoS dynamics in VL.
♻ ☆ Proximal Control of UAVs with Federated Learning for Human-Robot Collaborative Domains
The human-robot interaction (HRI) is a growing area of research. In HRI, complex command (action) classification is still an open problem that usually prevents the real applicability of such a technique. The literature presents some works that use neural networks to detect these actions. However, occlusion is still a major issue in HRI, especially when using uncrewed aerial vehicles (UAVs), since, during the robot's movement, the human operator is often out of the robot's field of view. Furthermore, in multi-robot scenarios, distributed training is also an open problem. In this sense, this work proposes an action recognition and control approach based on Long Short-Term Memory (LSTM) Deep Neural Networks with two layers in association with three densely connected layers and Federated Learning (FL) embedded in multiple drones. The FL enabled our approach to be trained in a distributed fashion, i.e., access to data without the need for cloud or other repositories, which facilitates the multi-robot system's learning. Furthermore, our multi-robot approach results also prevented occlusion situations, with experiments with real robots achieving an accuracy greater than 96%.
comment: version 2
♻ ☆ On Advancements of the Forward-Forward Algorithm
The Forward-Forward algorithm has evolved in machine learning research, tackling more complex tasks that mimic real-life applications. In the last years, it has been improved by several techniques to perform better than its original version, handling a challenging dataset like CIFAR10 without losing its flexibility and low memory usage. We have shown in our results that improvements are achieved through a combination of convolutional channel grouping, learning rate schedules, and independent block structures during training that lead to a 20\% decrease in test error percentage. Additionally, to approach further implementations on low-capacity hardware projects, we have presented a series of lighter models that achieve low test error percentages within (21$\pm$3)\% and number of trainable parameters between 164,706 and 754,386. This serves as a basis for our future study on complete verification and validation of these kinds of neural networks.
comment: This work has been submitted to the IEEE for possible publication
♻ ☆ VRAIL: Vectorized Reward-based Attribution for Interpretable Learning
We propose VRAIL (Vectorized Reward-based Attribution for Interpretable Learning), a bi-level framework for value-based reinforcement learning (RL) that learns interpretable weight representations from state features. VRAIL consists of two stages: a deep learning (DL) stage that fits an estimated value function using state features, and an RL stage that uses this to shape learning via potential-based reward transformations. The estimator is modeled in either linear or quadratic form, allowing attribution of importance to individual features and their interactions. Empirical results on the Taxi-v3 environment demonstrate that VRAIL improves training stability and convergence compared to standard DQN, without requiring environment modifications. Further analysis shows that VRAIL uncovers semantically meaningful subgoals, such as passenger possession, highlighting its ability to produce human-interpretable behavior. Our findings suggest that VRAIL serves as a general, model-agnostic framework for reward shaping that enhances both learning and interpretability.
♻ ☆ LPOSS: Label Propagation Over Patches and Pixels for Open-vocabulary Semantic Segmentation
We propose a training-free method for open-vocabulary semantic segmentation using Vision-and-Language Models (VLMs). Our approach enhances the initial per-patch predictions of VLMs through label propagation, which jointly optimizes predictions by incorporating patch-to-patch relationships. Since VLMs are primarily optimized for cross-modal alignment and not for intra-modal similarity, we use a Vision Model (VM) that is observed to better capture these relationships. We address resolution limitations inherent to patch-based encoders by applying label propagation at the pixel level as a refinement step, significantly improving segmentation accuracy near class boundaries. Our method, called LPOSS+, performs inference over the entire image, avoiding window-based processing and thereby capturing contextual interactions across the full image. LPOSS+ achieves state-of-the-art performance among training-free methods, across a diverse set of datasets. Code: https://github.com/vladan-stojnic/LPOSS
♻ ☆ Training Plug-n-Play Knowledge Modules with Deep Context Distillation
Dynamically integrating new or rapidly evolving information after (Large) Language Model pre-training remains challenging, particularly in low-data scenarios or when dealing with private and specialized documents. In-context learning and retrieval-augmented generation (RAG) face limitations, including their high inference costs and their inability to capture global document information. In this paper, we propose a way of modularizing knowledge by training document-level Knowledge Modules (KMs). KMs are lightweight components implemented as parameter-efficient LoRA modules, which are trained to store information about new documents and can be easily plugged into models on demand. We show that next-token prediction performs poorly as the training objective for KMs. We instead propose Deep Context Distillation: we learn KMs parameters such as to simulate hidden states and logits of a teacher that takes the document in context. Our method outperforms standard next-token prediction and pre-instruction training techniques, across two datasets. Finally, we highlight synergies between KMs and RAG.
comment: Preprint
♻ ☆ Fine, I'll Merge It Myself: A Multi-Fidelity Framework for Automated Model Merging
Reasoning capabilities represent a critical frontier for large language models (LLMs), but developing them requires extensive proprietary datasets and computational resources. One way to efficiently supplement capabilities with is by model merging, which offers a promising alternative by combining multiple models without retraining. However, current merging approaches rely on manually-designed strategies for merging hyperparameters, limiting the exploration of potential model combinations and requiring significant human effort. We propose an Automated Model Merging Framework that enables fine-grained exploration of merging strategies while reducing costs through multi-fidelity approximations. We support both single and multi-objective optimization and introduce two novel search spaces: layerwise fusion (LFS) and depth-wise integration (DIS). Evaluating across a number of benchmarks, we find that the search autonomously finds 1) Merges that further boost single-objective performance, even on tasks the model has already been finetuned on, and 2) Merges that optimize multi-objective frontiers across tasks. Effective merges are found with limited compute, e.g. within less than 500 search steps.
♻ ☆ Non-equilibrium Annealed Adjoint Sampler
Recently, there has been significant progress in learning-based diffusion samplers, which aim to sample from a given unnormalized density. These methods typically follow one of two paradigms: (i) formulating sampling as an unbiased stochastic optimal control (SOC) problem using a canonical reference process, or (ii) refining annealed path measures through importance-weighted sampling. Although annealing approaches have advantages in guiding samples toward high-density regions, reliance on importance sampling leads to high variance and limited scalability in practice. In this paper, we introduce the \textbf{Non-equilibrium Annealed Adjoint Sampler (NAAS)}, a novel SOC-based diffusion sampler that leverages annealed reference dynamics without resorting to importance sampling. NAAS employs a lean adjoint system inspired by adjoint matching, enabling efficient and scalable training. We demonstrate the effectiveness of our approach across a range of tasks, including sampling from classical energy landscapes and molecular Boltzmann distribution.
comment: 21 pages, 7 figures
♻ ☆ Offline Goal-Conditioned Reinforcement Learning with Projective Quasimetric Planning
Offline Goal-Conditioned Reinforcement Learning seeks to train agents to reach specified goals from previously collected trajectories. Scaling that promises to long-horizon tasks remains challenging, notably due to compounding value-estimation errors. Principled geometric offers a potential solution to address these issues. Following this insight, we introduce Projective Quasimetric Planning (ProQ), a compositional framework that learns an asymmetric distance and then repurposes it, firstly as a repulsive energy forcing a sparse set of keypoints to uniformly spread over the learned latent space, and secondly as a structured directional cost guiding towards proximal sub-goals. In particular, ProQ couples this geometry with a Lagrangian out-of-distribution detector to ensure the learned keypoints stay within reachable areas. By unifying metric learning, keypoint coverage, and goal-conditioned control, our approach produces meaningful sub-goals and robustly drives long-horizon goal-reaching on diverse a navigation benchmarks.
♻ ☆ Graph Linearization Methods for Reasoning on Graphs with Large Language Models
Large language models have evolved to process multiple modalities beyond text, such as images and audio, which motivates us to explore how to effectively leverage them for graph reasoning tasks. The key question, therefore, is how to transform graphs into linear sequences of tokens, a process we term "graph linearization", so that LLMs can handle graphs naturally. We consider that graphs should be linearized meaningfully to reflect certain properties of natural language text, such as local dependency and global alignment, in order to ease contemporary LLMs, trained on trillions of textual tokens, better understand graphs. To achieve this, we developed several graph linearization methods based on graph centrality and degeneracy. These methods are further enhanced using node relabeling techniques. The experimental results demonstrate the effectiveness of our methods compared to the random linearization baseline. Our work introduces novel graph representations suitable for LLMs, contributing to the potential integration of graph machine learning with the trend of multimodal processing using a unified transformer model.
♻ ☆ MARCO: Multi-Agent Code Optimization with Real-Time Knowledge Integration for High-Performance Computing
Large language models (LLMs) have transformed software development through code generation capabilities, yet their effectiveness for high-performance computing (HPC) remains limited. HPC code requires specialized optimizations for parallelism, memory efficiency, and architecture-specific considerations that general-purpose LLMs often overlook. We present MARCO (Multi-Agent Reactive Code Optimizer), a novel framework that enhances LLM-generated code for HPC through a specialized multi-agent architecture. MARCO employs separate agents for code generation and performance evaluation, connected by a feedback loop that progressively refines optimizations. A key innovation is MARCO's web-search component that retrieves real-time optimization techniques from recent conference proceedings and research publications, bridging the knowledge gap in pre-trained LLMs. Our extensive evaluation on the LeetCode 75 problem set demonstrates that MARCO achieves a 14.6\% average runtime reduction compared to Claude 3.5 Sonnet alone, while the integration of the web-search component yields a 30.9\% performance improvement over the base MARCO system. These results highlight the potential of multi-agent systems to address the specialized requirements of high-performance code generation, offering a cost-effective alternative to domain-specific model fine-tuning.
comment: 9 pages, 4 figures, 2 tables
♻ ☆ Physics-informed Imitative Reinforcement Learning for Real-world Driving
Recent advances in imitative reinforcement learning (IRL) have considerably enhanced the ability of autonomous agents to assimilate expert demonstrations, leading to rapid skill acquisition in a range of demanding tasks. However, such learning-based agents face significant challenges when transferring knowledge to highly dynamic closed-loop environments. Their performance is significantly impacted by the conflicting optimization objectives of imitation learning (IL) and reinforcement learning (RL), sample inefficiency, and the complexity of uncovering the hidden world model and physics. To address this challenge, we propose a physics-informed IRL that is entirely data-driven. It leverages both expert demonstration data and exploratory data with a joint optimization objective, allowing the underlying physical principles of vehicle dynamics to emerge naturally from the training process. The performance is evaluated through empirical experiments and results exceed popular IL, RL and IRL algorithms in closed-loop settings on Waymax benchmark. Our approach exhibits 37.8% reduction in collision rate and 22.2% reduction in off-road rate compared to the baseline method.
♻ ☆ Image Super-Resolution with Guarantees via Conformalized Generative Models
The increasing use of generative ML foundation models for image restoration tasks such as super-resolution calls for robust and interpretable uncertainty quantification methods. We address this need by presenting a novel approach based on conformal prediction techniques to create a 'confidence mask' capable of reliably and intuitively communicating where the generated image can be trusted. Our method is adaptable to any black-box generative model, including those locked behind an opaque API, requires only easily attainable data for calibration, and is highly customizable via the choice of a local image similarity metric. We prove strong theoretical guarantees for our method that span fidelity error control (according to our local image similarity metric), reconstruction quality, and robustness in the face of data leakage. Finally, we empirically evaluate these results and establish our method's solid performance.
comment: 17 pages, 7 figures
♻ ☆ No Free Lunch: Rethinking Internal Feedback for LLM Reasoning
Reinforcement learning has emerged as a powerful paradigm for post-training large language models (LLMs) to improve reasoning. Approaches like Reinforcement Learning from Human Feedback (RLHF) and Reinforcement Learning with Verifiable Rewards (RLVR) have shown strong results, but they require extensive external supervision. We investigate an alternative class of methods, Reinforcement Learning from Internal Feedback (RLIF), which relies solely on intrinsic model-derived signals instead of external rewards. In particular, we leverage unsupervised reward proxies such as token-level entropy, trajectory-level entropy, and self-certainty. Our theoretical analysis shows these internal objectives are partially equivalent, and we empirically evaluate various RLIF strategies on challenging math reasoning benchmarks. Experimental results demonstrate that RLIF can boost the reasoning performance of base LLMs at the beginning phase of the training, matching or surpassing RLVR techniques on these tasks. However, when training progresses, performance degrades even below the model before training. Moreover, we find that RLIF yields little improvement for instruction-tuned models, indicating diminishing returns of intrinsic feedback once an LLM is already instruction-tuned. We further analyze this limitation by mixing model weights and explain the reason of RLIF's training behaviors, providing practical guidelines for integrating internal feedback signals into LLM training. We hope our analysis of internal feedback will inform more principled and effective strategies for LLM post-training.
♻ ☆ Variational quantum regression algorithm with encoded data structure
Hybrid variational quantum algorithms (VQAs) are promising for solving practical problems such as combinatorial optimization, quantum chemistry simulation, quantum machine learning, and quantum error correction on noisy quantum computers. However, with typical random ansatz or quantum alternating operator ansatz, derived variational quantum algorithms become a black box that cannot be trusted for model interpretation, not to mention deploying as applications in informing critical decisions: the results of these variational parameters are just rotational angles for the quantum gates and have nothing to do with interpretable values that a model can provide directly. In this paper, we construct the first interpretable quantum regression algorithm, in which the quantum state exactly encodes the classical data table and the variational parameters correspond directly to the regression coefficients, which are real numbers by construction, providing a high degree of model interpretability and minimal cost to optimize due to the right expressiveness. We also take advantage of the encoded data structure to reduce the time complexity of computing the regression map. To shorten the circuit depth for nonlinear regression, our algorithm can be extended by building nonlinear features by classical preprocessing as the independent encoded column vectors. Even though the realization of compressed encoding in superconducting qubits has been achieved by the less noisy compressed encoding recently by the authors, we envision potential quantum utilities with multi-qubit gates implemented in neutral cold atoms and ions.
♻ ☆ WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry ICML 2025
Crystalline materials often exhibit a high level of symmetry. However, most generative models do not account for symmetry, but rather model each atom without any constraints on its position or element. We propose a generative model, Wyckoff Diffusion (WyckoffDiff), which generates symmetry-based descriptions of crystals. This is enabled by considering a crystal structure representation that encodes all symmetry, and we design a novel neural network architecture which enables using this representation inside a discrete generative model framework. In addition to respecting symmetry by construction, the discrete nature of our model enables fast generation. We additionally present a new metric, Fr\'echet Wrenformer Distance, which captures the symmetry aspects of the materials generated, and we benchmark WyckoffDiff against recently proposed generative models for crystal generation. As a proof-of-concept study, we use WyckoffDiff to find new materials below the convex hull of thermodynamical stability.
comment: Accepted to ICML 2025, to appear in PMLR 267. Code is available online at https://github.com/httk/wyckoffdiff
♻ ☆ Chemical knowledge-informed framework for privacy-aware retrosynthesis learning
Chemical reaction data is a pivotal asset, driving advances in competitive fields such as pharmaceuticals, materials science, and industrial chemistry. Its proprietary nature renders it sensitive, as it often includes confidential insights and competitive advantages organizations strive to protect. However, in contrast to this need for confidentiality, the current standard training paradigm for machine learning-based retrosynthesis gathers reaction data from multiple sources into one single edge to train prediction models. This paradigm poses considerable privacy risks as it necessitates broad data availability across organizational boundaries and frequent data transmission between entities, potentially exposing proprietary information to unauthorized access or interception during storage and transfer. In the present study, we introduce the chemical knowledge-informed framework (CKIF), a privacy-preserving approach for learning retrosynthesis models. CKIF enables distributed training across multiple chemical organizations without compromising the confidentiality of proprietary reaction data. Instead of gathering raw reaction data, CKIF learns retrosynthesis models through iterative, chemical knowledge-informed aggregation of model parameters. In particular, the chemical properties of predicted reactants are leveraged to quantitatively assess the observable behaviors of individual models, which in turn determines the adaptive weights used for model aggregation. On a variety of reaction datasets, CKIF outperforms several strong baselines by a clear margin.
♻ ☆ A Survey on Explainable Reinforcement Learning: Concepts, Algorithms, Challenges
Reinforcement Learning (RL) is a popular machine learning paradigm where intelligent agents interact with the environment to fulfill a long-term goal. Driven by the resurgence of deep learning, Deep RL (DRL) has witnessed great success over a wide spectrum of complex control tasks. Despite the encouraging results achieved, the deep neural network-based backbone is widely deemed as a black box that impedes practitioners to trust and employ trained agents in realistic scenarios where high security and reliability are essential. To alleviate this issue, a large volume of literature devoted to shedding light on the inner workings of the intelligent agents has been proposed, by constructing intrinsic interpretability or post-hoc explainability. In this survey, we provide a comprehensive review of existing works on eXplainable RL (XRL) and introduce a new taxonomy where prior works are clearly categorized into model-explaining, reward-explaining, state-explaining, and task-explaining methods. We also review and highlight RL methods that conversely leverage human knowledge to promote learning efficiency and performance of agents while this kind of method is often ignored in XRL field. Some challenges and opportunities in XRL are discussed. This survey intends to provide a high-level summarization of XRL and to motivate future research on more effective XRL solutions. Corresponding open source codes are collected and categorized at https://github.com/Plankson/awesome-explainable-reinforcement-learning.
♻ ☆ It's not you, it's me -- Global urban visual perception varies across demographics and personalities
Understanding people's preferences and needs is crucial for urban planning decisions, yet current approaches often combine them from multi-cultural and multi-city populations, obscuring important demographic differences and risking amplifying biases. We conducted a large-scale urban visual perception survey of streetscapes worldwide using street view imagery, examining how demographics -- including gender, age, income, education, race and ethnicity, and, for the first time, personality traits -- shape perceptions among 1,000 participants, with balanced demographics, from five countries and 45 nationalities. This dataset, introduced as Street Perception Evaluation Considering Socioeconomics (SPECS), exhibits statistically significant differences in perception scores in six traditionally used indicators (safe, lively, wealthy, beautiful, boring, and depressing) and four new ones we propose (live nearby, walk, cycle, green) among demographics and personalities. We revealed that location-based sentiments are carried over in people's preferences when comparing urban streetscapes with other cities. Further, we compared the perception scores based on where participants and streetscapes are from. We found that an off-the-shelf machine learning model trained on an existing global perception dataset tends to overestimate positive indicators and underestimate negative ones compared to human responses, suggesting that targeted intervention should consider locals' perception. Our study aspires to rectify the myopic treatment of street perception, which rarely considers demographics or personality traits.
comment: Under review
♻ ☆ Representation Learning with Parameterised Quantum Circuits for Advancing Speech Emotion Recognition
Quantum machine learning (QML) offers a promising avenue for advancing representation learning in complex signal domains. In this study, we investigate the use of parameterised quantum circuits (PQCs) for speech emotion recognition (SER) a challenging task due to the subtle temporal variations and overlapping affective states in vocal signals. We propose a hybrid quantum classical architecture that integrates PQCs into a conventional convolutional neural network (CNN), leveraging quantum properties such as superposition and entanglement to enrich emotional feature representations. Experimental evaluations on three benchmark datasets IEMOCAP, RECOLA, and MSP-IMPROV demonstrate that our hybrid model achieves improved classification performance relative to a purely classical CNN baseline, with over 50% reduction in trainable parameters. This work provides early evidence of the potential for QML to enhance emotion recognition and lays the foundation for future quantum-enabled affective computing systems.
♻ ☆ Confucius3-Math: A Lightweight High-Performance Reasoning LLM for Chinese K-12 Mathematics Learning
We introduce Confucius3-Math, an open-source large language model with 14B parameters that (1) runs efficiently on a single consumer-grade GPU; (2) achieves SOTA performances on a range of mathematical reasoning tasks, outperforming many models with significantly larger sizes. In particular, as part of our mission to enhancing education and knowledge dissemination with AI, Confucius3-Math is specifically committed to mathematics learning for Chinese K-12 students and educators. Built via post-training with large-scale reinforcement learning (RL), Confucius3-Math aligns with national curriculum and excels at solving main-stream Chinese K-12 mathematical problems with low cost. In this report we share our development recipe, the challenges we encounter and the techniques we develop to overcome them. In particular, we introduce three technical innovations: Targeted Entropy Regularization, Recent Sample Recovery and Policy-Specific Hardness Weighting. These innovations encompass a new entropy regularization, a novel data scheduling policy, and an improved group-relative advantage estimator. Collectively, they significantly stabilize the RL training, improve data efficiency, and boost performance. Our work demonstrates the feasibility of building strong reasoning models in a particular domain at low cost. We open-source our model and code at https://github.com/netease-youdao/Confucius3-Math.
♻ ☆ BINDy -- Bayesian identification of nonlinear dynamics with reversible-jump Markov-chain Monte-Carlo
Model parsimony is an important \emph{cognitive bias} in data-driven modelling that aids interpretability and helps to prevent over-fitting. Sparse identification of nonlinear dynamics (SINDy) methods are able to learn sparse representations of complex dynamics directly from data, given a basis of library functions. In this work, a novel Bayesian treatment of dictionary learning system identification, as an alternative to SINDy, is envisaged. The proposed method -- Bayesian identification of nonlinear dynamics (BINDy) -- is distinct from previous approaches in that it targets the full joint posterior distribution over both the terms in the library and their parameterisation in the model. This formulation confers the advantage that an arbitrary prior may be placed over the model structure to produce models that are sparse in the model space rather than in parameter space. Because this posterior is defined over parameter vectors that can change in dimension, the inference cannot be performed by standard techniques. Instead, a Gibbs sampler based on reversible-jump Markov-chain Monte-Carlo is proposed. BINDy is shown to compare favourably to ensemble SINDy in three benchmark case-studies. In particular, it is seen that the proposed method is better able to assign high probability to correct model terms.
♻ ☆ Bilinear MLPs enable weight-based mechanistic interpretability ICLR'25
A mechanistic understanding of how MLPs do computation in deep neural networks remains elusive. Current interpretability work can extract features from hidden activations over an input dataset but generally cannot explain how MLP weights construct features. One challenge is that element-wise nonlinearities introduce higher-order interactions and make it difficult to trace computations through the MLP layer. In this paper, we analyze bilinear MLPs, a type of Gated Linear Unit (GLU) without any element-wise nonlinearity that nevertheless achieves competitive performance. Bilinear MLPs can be fully expressed in terms of linear operations using a third-order tensor, allowing flexible analysis of the weights. Analyzing the spectra of bilinear MLP weights using eigendecomposition reveals interpretable low-rank structure across toy tasks, image classification, and language modeling. We use this understanding to craft adversarial examples, uncover overfitting, and identify small language model circuits directly from the weights alone. Our results demonstrate that bilinear layers serve as an interpretable drop-in replacement for current activation functions and that weight-based interpretability is viable for understanding deep-learning models.
comment: Accepted to ICLR'25
♻ ☆ Graph-Assisted Stitching for Offline Hierarchical Reinforcement Learning ICML 2025
Existing offline hierarchical reinforcement learning methods rely on high-level policy learning to generate subgoal sequences. However, their efficiency degrades as task horizons increase, and they lack effective strategies for stitching useful state transitions across different trajectories. We propose Graph-Assisted Stitching (GAS), a novel framework that formulates subgoal selection as a graph search problem rather than learning an explicit high-level policy. By embedding states into a Temporal Distance Representation (TDR) space, GAS clusters semantically similar states from different trajectories into unified graph nodes, enabling efficient transition stitching. A shortest-path algorithm is then applied to select subgoal sequences within the graph, while a low-level policy learns to reach the subgoals. To improve graph quality, we introduce the Temporal Efficiency (TE) metric, which filters out noisy or inefficient transition states, significantly enhancing task performance. GAS outperforms prior offline HRL methods across locomotion, navigation, and manipulation tasks. Notably, in the most stitching-critical task, it achieves a score of 88.3, dramatically surpassing the previous state-of-the-art score of 1.0. Our source code is available at: https://github.com/qortmdgh4141/GAS.
comment: ICML 2025
♻ ☆ Provably Improving Generalization of Few-Shot Models with Synthetic Data ICML 2025
Few-shot image classification remains challenging due to the scarcity of labeled training examples. Augmenting them with synthetic data has emerged as a promising way to alleviate this issue, but models trained on synthetic samples often face performance degradation due to the inherent gap between real and synthetic distributions. To address this limitation, we develop a theoretical framework that quantifies the impact of such distribution discrepancies on supervised learning, specifically in the context of image classification. More importantly, our framework suggests practical ways to generate good synthetic samples and to train a predictor with high generalization ability. Building upon this framework, we propose a novel theoretical-based algorithm that integrates prototype learning to optimize both data partitioning and model training, effectively bridging the gap between real few-shot data and synthetic data. Extensive experiments results show that our approach demonstrates superior performance compared to state-of-the-art methods, outperforming them across multiple datasets.
comment: ICML 2025. Our code is released at https://github.com/Fsoft-AIC/ProtoAug
♻ ☆ Flexible Infinite-Width Graph Convolutional Neural Networks
A common theoretical approach to understanding neural networks is to take an infinite-width limit, at which point the outputs become Gaussian process (GP) distributed. This is known as a neural network Gaussian process (NNGP). However, the NNGP kernel is fixed and tunable only through a small number of hyperparameters, thus eliminating the possibility of representation learning. This contrasts with finite-width NNs, which are often believed to perform well because they are able to flexibly learn representations for the task at hand. Thus, in simplifying NNs to make them theoretically tractable, NNGPs may eliminate precisely what makes them work well (representation learning). This motivated us to understand whether representation learning is necessary in a range of graph tasks. We develop a precise tool for this task, the graph convolutional deep kernel machine. This is very similar to an NNGP, in that it is an infinite width limit and uses kernels, but comes with a ``knob'' to control the amount of flexibility and hence representation learning. We found that representation learning gives noticeable performance improvements for heterophilous node classification tasks, but less so for homophilous node classification tasks.
comment: Major revision. Title and abstract updated. Added new analysis section on linear models and additional datasets. Paper accepted to TMLR
♻ ☆ Efficient uniform approximation using Random Vector Functional Link networks
A Random Vector Functional Link (RVFL) network is a depth-2 neural network with random inner weights and biases. Only the outer weights of such an architecture are to be learned, so the learning process boils down to a linear optimization task, allowing one to sidestep the pitfalls of nonconvex optimization problems. In this paper, we prove that an RVFL with ReLU activation functions can approximate Lipschitz continuous functions in $L_\infty$ norm. To the best of our knowledge, our result is the first approximation result in $L_\infty$ norm using nice inner weights; namely, Gaussians. We give a nonasymptotic lower bound for the number of hidden-layer nodes to achieve a given accuracy with high probability, depending on, among other things, the Lipschitz constant of the target function, the desired accuracy, and the input dimension. Our method of proof is rooted in probability theory and harmonic analysis.
comment: 21 pages, 0 figures, corrected version of the paper that appeared in the 2023 14th International conference on Sampling Theory and Applications (SampTA)
♻ ☆ Solving Linear-Gaussian Bayesian Inverse Problems with Decoupled Diffusion Sequential Monte Carlo ICML 2025
A recent line of research has exploited pre-trained generative diffusion models as priors for solving Bayesian inverse problems. We contribute to this research direction by designing a sequential Monte Carlo method for linear-Gaussian inverse problems which builds on "decoupled diffusion", where the generative process is designed such that larger updates to the sample are possible. The method is asymptotically exact and we demonstrate the effectiveness of our Decoupled Diffusion Sequential Monte Carlo (DDSMC) algorithm on both synthetic as well as protein and image data. Further, we demonstrate how the approach can be extended to discrete data.
comment: Accepted to ICML 2025, to appear in PMLR 267. Code available at https://github.com/filipekstrm/ddsmc
♻ ☆ Beyond Topological Self-Explainable GNNs: A Formal Explainability Perspective
Self-Explainable Graph Neural Networks (SE-GNNs) are popular explainable-by-design GNNs, but their explanations' properties and limitations are not well understood. Our first contribution fills this gap by formalizing the explanations extracted by some popular SE-GNNs, referred to as Minimal Explanations (MEs), and comparing them to established notions of explanations, namely Prime Implicant (PI) and faithful explanations. Our analysis reveals that MEs match PI explanations for a restricted but significant family of tasks. In general, however, they can be less informative than PI explanations and are surprisingly misaligned with widely accepted notions of faithfulness. Although faithful and PI explanations are informative, they are intractable to find and we show that they can be prohibitively large. Given these observations, a natural choice is to augment SE-GNNs with alternative modalities of explanations taking care of SE-GNNs' limitations. To this end, we propose Dual-Channel GNNs that integrate a white-box rule extractor and a standard SE-GNN, adaptively combining both channels. Our experiments show that even a simple instantiation of Dual-Channel GNNs can recover succinct rules and perform on par or better than widely used SE-GNNs.
♻ ☆ 3D variational autoencoder for fingerprinting microstructure volume elements
Microstructure quantification is an important step towards establishing structure-property relationships in materials. Machine learning-based image processing methods have been shown to outperform conventional image processing techniques and are increasingly applied to microstructure quantification tasks. In this work, we present a 3D variational autoencoder (VAE) for encoding microstructure volume elements (VEs) comprising voxelated crystallographic orientation data. Crystal symmetries in the orientation space are accounted for by mapping to the crystallographic fundamental zone as a preprocessing step, which allows for a continuous loss function to be used and improves the training convergence rate. The VAE is then used to encode a training set of VEs with an equiaxed polycrystalline microstructure with random texture. Accurate reconstructions are achieved with a relative average misorientation error of 3x10^-2 on the test dataset, for a continuous latent space with dimension 256. We show that the model generalises well to microstructures with textures, grain sizes and aspect ratios outside the training distribution. Structure-property relationships are explored through using the training set of VEs as initial configurations in various crystal plasticity (CP) simulations. Microstructural fingerprints extracted from the VAE, which parameterise the VEs in a low-dimensional latent space, are stored alongside the volume-averaged stress response, at each strain increment, to uniaxial tensile deformation from CP simulations. This is then used to train a fully connected neural network mapping the input fingerprint to the resulting stress response, which acts as a surrogate model for the CP simulation. The fingerprint-based surrogate model is shown to accurately predict the microstructural dependence in the CP stress response, with a relative mean-squared error of 2.75 MPa on unseen test data.
comment: 28 pages, 11 figures
♻ ☆ Fine-tuning machine-learned particle-flow reconstruction for new detector geometries in future colliders
We demonstrate transfer learning capabilities in a machine-learned algorithm trained for particle-flow reconstruction in high energy particle colliders. This paper presents a cross-detector fine-tuning study, where we initially pretrain the model on a large full simulation dataset from one detector design, and subsequently fine-tune the model on a sample with a different collider and detector design. Specifically, we use the Compact Linear Collider detector (CLICdet) model for the initial training set and demonstrate successful knowledge transfer to the CLIC-like detector (CLD) proposed for the Future Circular Collider in electron-positron mode. We show that with an order of magnitude less samples from the second dataset, we can achieve the same performance as a costly training from scratch, across particle-level and event-level performance metrics, including jet and missing transverse momentum resolution. Furthermore, we find that the fine-tuned model achieves comparable performance to the traditional rule-based particle-flow approach on event-level metrics after training on 100,000 CLD events, whereas a model trained from scratch requires at least 1 million CLD events to achieve similar reconstruction performance. To our knowledge, this represents the first full-simulation cross-detector transfer learning study for particle-flow reconstruction. These findings offer valuable insights towards building large foundation models that can be fine-tuned across different detector designs and geometries, helping to accelerate the development cycle for new detectors and opening the door to rapid detector design and optimization using machine learning.
comment: 20 pages, 13 figures
♻ ☆ Dual-Channel Multiplex Graph Neural Networks for Recommendation
Effective recommender systems play a crucial role in accurately capturing user and item attributes that mirror individual preferences. Some existing recommendation techniques have started to shift their focus towards modeling various types of interactive relations between users and items in real-world recommendation scenarios, such as clicks, marking favorites, and purchases on online shopping platforms. Nevertheless, these approaches still grapple with two significant challenges: (1) Insufficient modeling and exploitation of the impact of various behavior patterns formed by multiplex relations between users and items on representation learning, and (2) ignoring the effect of different relations within behavior patterns on the target relation in recommender system scenarios. In this work, we introduce a novel recommendation framework, Dual-Channel Multiplex Graph Neural Network (DCMGNN), which addresses the aforementioned challenges. It incorporates an explicit behavior pattern representation learner to capture the behavior patterns composed of multiplex user-item interactive relations, and includes a relation chain representation learner and a relation chain-aware encoder to discover the impact of various auxiliary relations on the target relation, the dependencies between different relations, and mine the appropriate order of relations in a behavior pattern. Extensive experiments on three real-world datasets demonstrate that our DCMGNN surpasses various state-of-the-art recommendation methods. It outperforms the best baselines by 10.06% and 12.15% on average across all datasets in terms of Recall@10 and NDCG@10, respectively.
♻ ☆ Gradient-Free Sequential Bayesian Experimental Design via Interacting Particle Systems
We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings, aimed at complex systems where gradient information is unavailable. Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling-both of which are derivative-free and ensemble-based. To address the computational challenges posed by nested expectations in BOED, we propose variational Gaussian and parametrized Laplace approximations that provide tractable upper and lower bounds on the Expected Information Gain (EIG). These approximations enable scalable utility estimation in high-dimensional spaces and PDE-constrained inverse problems. We demonstrate the performance of our framework through numerical experiments ranging from linear Gaussian models to PDE-based inference tasks, highlighting the method's robustness, accuracy, and efficiency in information-driven experimental design.
♻ ☆ SLEEPING-DISCO 9M: A large-scale pre-training dataset for generative music modeling
We present Sleeping-DISCO 9M, a large-scale pre-training dataset for music and song. To the best of our knowledge, there are no open-source high-quality dataset representing popular and well-known songs for generative music modeling tasks such as text-music, music-captioning, singing-voice synthesis, melody reconstruction and cross-model retrieval. Past contributions focused on isolated and constrained factors whose core perspective was to create synthetic or re-recorded music corpus (e.g. GTSinger, M4Singer) and arbitrarily large-scale audio datasets (e.g. DISCO-10M and LAIONDISCO-12M) had been another focus for the community. Unfortunately, adoption of these datasets has been below substantial in the generative music community as these datasets fail to reflect real-world music and its flavour. Our dataset changes this narrative and provides a dataset that is constructed using actual popular music and world-renowned artists.
♻ ☆ Supporting renewable energy planning and operation with data-driven high-resolution ensemble weather forecast
The planning and operation of renewable energy, especially wind power, depend crucially on accurate, timely, and high-resolution weather information. Coarse-grid global numerical weather forecasts are typically downscaled to meet these requirements, introducing challenges of scale inconsistency, process representation error, computation cost, and entanglement of distinct uncertainty sources from chaoticity, model bias, and large-scale forcing. We address these challenges by learning the climatological distribution of a target wind farm using its high-resolution numerical weather simulations. An optimal combination of this learned high-resolution climatological prior with coarse-grid large scale forecasts yields highly accurate, fine-grained, full-variable, large ensemble of weather pattern forecasts. Using observed meteorological records and wind turbine power outputs as references, the proposed methodology verifies advantageously compared to existing numerical/statistical forecasting-downscaling pipelines, regarding either deterministic/probabilistic skills or economic gains. Moreover, a 100-member, 10-day forecast with spatial resolution of 1 km and output frequency of 15 min takes < 1 hour on a moderate-end GPU, as contrast to $\mathcal{O}(10^3)$ CPU hours for conventional numerical simulation. By drastically reducing computational costs while maintaining accuracy, our method paves the way for more efficient and reliable renewable energy planning and operation.
♻ ☆ MS-TVNet:A Long-Term Time Series Prediction Method Based on Multi-Scale Dynamic Convolution
Long-term time series prediction has predominantly relied on Transformer and MLP models, while the potential of convolutional networks in this domain remains underexplored. To address this gap, we introduce a novel multi-scale time series reshape module, which effectively captures the relationships among multi-period patches and variable dependencies. Building upon this module, we propose MS-TVNet, a multi-scale 3D dynamic convolutional neural network. Through comprehensive evaluations on diverse datasets, MS-TVNet demonstrates superior performance compared to baseline models, achieving state-of-the-art (SOTA) results in long-term time series prediction. Our findings highlight the effectiveness of leveraging convolutional networks for capturing complex temporal patterns, suggesting a promising direction for future research in this field.The code is realsed on https://github.com/Curyyfaust/TVNet.
♻ ☆ Curved representational Bregman divergences and their applications
By analogy to curved exponential families in statistics, we define curved Bregman divergences as Bregman divergences restricted to nonlinear parameter subspaces. We show that the barycenter of a finite weighted set of parameters under a curved Bregman divergence amounts to the right Bregman projection onto the nonlinear subspace of the barycenter with respect to the full Bregman divergence. We demonstrate the significance of curved Bregman divergences with two examples: (1) symmetrized Bregman divergences and (2) the Kullback-Leibler divergence between circular complex normal distributions. We then consider monotonic embeddings to define representational curved Bregman divergences and show that the $\alpha$-divergences are representational curved Bregman divergences with respect to $\alpha$-embeddings of the probability simplex into the positive measure cone. As an application, we report an efficient method to calculate the intersection of a finite set of $\alpha$-divergence spheres.
comment: 12 pages, 5 figures
♻ ☆ IKDiffuser: A Generative Inverse Kinematics Solver for Multi-arm Robots via Diffusion Model
Solving Inverse Kinematics (IK) problems is fundamental to robotics, but has primarily been successful with single serial manipulators. For multi-arm robotic systems, IK remains challenging due to complex self-collisions, coupled joints, and high-dimensional redundancy. These complexities make traditional IK solvers slow, prone to failure, and lacking in solution diversity. In this paper, we present IKDiffuser, a diffusion-based model designed for fast and diverse IK solution generation for multi-arm robotic systems. IKDiffuser learns the joint distribution over the configuration space, capturing complex dependencies and enabling seamless generalization to multi-arm robotic systems of different structures. In addition, IKDiffuser can incorporate additional objectives during inference without retraining, offering versatility and adaptability for task-specific requirements. In experiments on 6 different multi-arm systems, the proposed IKDiffuser achieves superior solution accuracy, precision, diversity, and computational efficiency compared to existing solvers. The proposed IKDiffuser framework offers a scalable, unified approach to solving multi-arm IK problems, facilitating the potential of multi-arm robotic systems in real-time manipulation tasks.
comment: under review
♻ ☆ Active Learning of Deep Neural Networks via Gradient-Free Cutting Planes
Active learning methods aim to improve sample complexity in machine learning. In this work, we investigate an active learning scheme via a novel gradient-free cutting-plane training method for ReLU networks of arbitrary depth and develop a convergence theory. We demonstrate, for the first time, that cutting-plane algorithms, traditionally used in linear models, can be extended to deep neural networks despite their nonconvexity and nonlinear decision boundaries. Moreover, this training method induces the first deep active learning scheme known to achieve convergence guarantees, revealing a geometric contraction rate of the feasible set. We exemplify the effectiveness of our proposed active learning method against popular deep active learning baselines via both synthetic data experiments and sentimental classification task on real datasets.
♻ ☆ Rewarding Graph Reasoning Process makes LLMs more Generalized Reasoners KDD 2025
Despite significant advancements in Large Language Models (LLMs), developing advanced reasoning capabilities in LLMs remains a key challenge. Process Reward Models (PRMs) have demonstrated exceptional promise in enhancing reasoning by providing step-wise feedback, particularly in the context of mathematical reasoning. However, their application to broader reasoning domains remains understudied, largely due to the high costs associated with manually creating step-level supervision. In this work, we explore the potential of PRMs in graph reasoning problems - a domain that demands sophisticated multi-step reasoning and offers opportunities for automated step-level data generation using established graph algorithms. We introduce GraphSILO, the largest dataset for graph reasoning problems with fine-grained step-wise labels, built using automated Task-oriented Trajectories and Monte Carlo Tree Search (MCTS) to generate detailed reasoning steps with step-wise labels. Building upon this dataset, we train GraphPRM, the first PRM designed for graph reasoning problems, and evaluate its effectiveness in two key settings: inference-time scaling and reinforcement learning via Direct Preference Optimization (DPO). Experimental results show that GraphPRM significantly improves LLM performance across 13 graph reasoning tasks, delivering a 9% gain for Qwen2.5-7B and demonstrating transferability to new graph reasoning datasets and new reasoning domains like mathematical problem-solving. Notably, GraphPRM enhances LLM performance on GSM8K and Math500, underscoring the cross-domain applicability of graph-based reasoning rewards. Our findings highlight the potential of PRMs in advancing reasoning across diverse domains, paving the way for more versatile and effective LLMs.
comment: Accepted to KDD 2025 Research Track
♻ ☆ Counterfactual Fairness through Transforming Data Orthogonal to Bias
Machine learning models have shown exceptional prowess in solving complex issues across various domains. However, these models can sometimes exhibit biased decision-making, resulting in unequal treatment of different groups. Despite substantial research on counterfactual fairness, methods to reduce the impact of multivariate and continuous sensitive variables on decision-making outcomes are still underdeveloped. We propose a novel data pre-processing algorithm, Orthogonal to Bias (OB), which is designed to eliminate the influence of a group of continuous sensitive variables, thus promoting counterfactual fairness in machine learning applications. Our approach, based on the assumption of a jointly normal distribution within a structural causal model (SCM), demonstrates that counterfactual fairness can be achieved by ensuring the data is orthogonal to the observed sensitive variables. The OB algorithm is model-agnostic, making it applicable to a wide range of machine learning models and tasks. Additionally, it includes a sparse variant to improve numerical stability through regularization. Empirical evaluations on both simulated and real-world datasets, encompassing settings with both discrete and continuous sensitive variables, show that our methodology effectively promotes fairer outcomes without compromising accuracy.
♻ ☆ TSPulse: Dual Space Tiny Pre-Trained Models for Rapid Time-Series Analysis
The rise of time-series pre-trained models has advanced temporal representation learning, but current state-of-the-art models are often large-scale, requiring substantial compute. We introduce TSPulse, ultra-compact time-series pre-trained models with only 1M parameters, specialized to perform strongly across classification, anomaly detection, imputation, and retrieval tasks. TSPulse introduces innovations at both the architecture and task levels. At the architecture level, it employs a dual-space masked reconstruction, learning from both time and frequency domains to capture complementary signals. This is further enhanced by a dual-embedding disentanglement, generating both detailed embeddings for fine-grained analysis and high-level semantic embeddings for broader task understanding. Notably, TSPulse's semantic embeddings are robust to shifts in time, magnitude, and noise, which is important for robust retrieval. At the task level, TSPulse incorporates TSLens, a fine-tuning component enabling task-specific feature attention. It also introduces a multi-head triangulation technique that correlates deviations from multiple prediction heads, enhancing anomaly detection by fusing complementary model outputs. Additionally, a hybrid mask pretraining is proposed to improves zero-shot imputation by reducing pre-training bias. These architecture and task innovations collectively contribute to TSPulse's significant performance gains: 5-16% on the UEA classification benchmarks, +20% on the TSB-AD anomaly detection leaderboard, +50% in zero-shot imputation, and +25% in time-series retrieval. Remarkably, these results are achieved with just 1M parameters (10-100X smaller than existing SOTA models) and allow GPU-free inference, setting a new standard for efficient time-series pre-trained models. The models can be accessed from https://huggingface.co/ibm-granite/granite-timeseries-tspulse-r1
♻ ☆ Log-Linear Attention
The attention mechanism in Transformers is an important primitive for accurate and scalable sequence modeling. Its quadratic-compute and linear-memory complexity however remain significant bottlenecks. Linear attention and state-space models enable linear-time, constant-memory sequence modeling and can moreover be trained efficiently through matmul-rich parallelization across sequence length. However, at their core these models are still RNNs, and thus their use of a fixed-size hidden state to model the context is a fundamental limitation. This paper develops log-linear attention, an attention mechanism that balances linear attention's efficiency and the expressiveness of softmax attention. Log-linear attention replaces the fixed-size hidden state with a logarithmically growing set of hidden states. We show that with a particular growth function, log-linear attention admits a similarly matmul-rich parallel form whose compute cost is log-linear in sequence length. Log-linear attention is a general framework and can be applied on top of existing linear attention variants. As case studies, we instantiate log-linear variants of two recent architectures -- Mamba-2 and Gated DeltaNet -- and find they perform well compared to their linear-time variants.
♻ ☆ Evaluating Generalization and Representation Stability in Small LMs via Prompting, Fine-Tuning and Out-of-Distribution Prompts ICML
We investigate the generalization capabilities of small language models under two popular adaptation paradigms: few-shot prompting and supervised fine-tuning. While prompting is often favored for its parameter efficiency and flexibility, it remains unclear how robust this approach is in low-resource settings and under distributional shifts. This paper presents a comparative study of prompting and fine-tuning across task formats, prompt styles, and model scales, with a focus on their behavior in both in-distribution and out-of-distribution (OOD) settings. Beyond accuracy, we analyze the internal representations learned by each approach to assess the stability and abstraction of task-specific features. Our findings highlight critical differences in how small models internalize and generalize knowledge under different adaptation strategies. This work offers practical guidance for model selection in low-data regimes and contributes empirical insight into the ongoing debate over prompting versus fine-tuning. Code for the experiments is available at the following
comment: Accepted at ICML
♻ ☆ What Matters in LLM-generated Data: Diversity and Its Effect on Model Fine-Tuning
With the remarkable generative capabilities of large language models (LLMs), using LLM-generated data to train downstream models has emerged as a promising approach to mitigate data scarcity in specific domains and reduce time-consuming annotations. However, recent studies have highlighted a critical issue: iterative training on self-generated data results in model collapse, where model performance degrades over time. Despite extensive research on the implications of LLM-generated data, these works often neglect the importance of data diversity, a key factor in data quality. In this work, we aim to understand the implications of the diversity of LLM-generated data on downstream model performance. Specifically, we explore how varying levels of diversity in LLM-generated data affect downstream model performance. Additionally, we investigate the performance of models trained on data that mixes different proportions of LLM-generated data, which we refer to as synthetic data. Our experimental results show that, with minimal distribution shift, moderately diverse LLM-generated data can enhance model performance in scenarios with insufficient labeled data, whereas highly diverse generated data has a negative impact. We hope our empirical findings will offer valuable guidance for future studies on LLMs as data generators.
comment: Ongoing work
♻ ☆ BeltCrack: the First Sequential-image Industrial Conveyor Belt Crack Detection Dataset and Its Baseline with Triple-domain Feature Learning
Conveyor belts are important equipment in modern industry, widely applied in production and manufacturing. Their health is much critical to operational efficiency and safety. Cracks are a major threat to belt health. Currently, considering safety, how to intelligently detect belt cracks is catching an increasing attention. To implement the intelligent detection with machine learning, real crack samples are believed to be necessary. However, existing crack datasets primarily focus on pavement scenarios or synthetic data, no real-world industrial belt crack datasets at all. Cracks are a major threat to belt health. Furthermore, to validate usability and effectiveness, we propose a special baseline method with triple-domain ($i.e.$, time-space-frequency) feature hierarchical fusion learning for the two whole-new datasets. Experimental results demonstrate the availability and effectiveness of our dataset. Besides, they also show that our baseline is obviously superior to other similar detection methods. Our datasets and source codes are available at https://github.com/UESTC-nnLab/BeltCrack.
comment: 14 pages, 10 figures
♻ ☆ Fine-Grained Perturbation Guidance via Attention Head Selection
Recent guidance methods in diffusion models steer reverse sampling by perturbing the model to construct an implicit weak model and guide generation away from it. Among these approaches, attention perturbation has demonstrated strong empirical performance in unconditional scenarios where classifier-free guidance is not applicable. However, existing attention perturbation methods lack principled approaches for determining where perturbations should be applied, particularly in Diffusion Transformer (DiT) architectures where quality-relevant computations are distributed across layers. In this paper, we investigate the granularity of attention perturbations, ranging from the layer level down to individual attention heads, and discover that specific heads govern distinct visual concepts such as structure, style, and texture quality. Building on this insight, we propose "HeadHunter", a systematic framework for iteratively selecting attention heads that align with user-centric objectives, enabling fine-grained control over generation quality and visual attributes. In addition, we introduce SoftPAG, which linearly interpolates each selected head's attention map toward an identity matrix, providing a continuous knob to tune perturbation strength and suppress artifacts. Our approach not only mitigates the oversmoothing issues of existing layer-level perturbation but also enables targeted manipulation of specific visual styles through compositional head selection. We validate our method on modern large-scale DiT-based text-to-image models including Stable Diffusion 3 and FLUX.1, demonstrating superior performance in both general quality enhancement and style-specific guidance. Our work provides the first head-level analysis of attention perturbation in diffusion models, uncovering interpretable specialization within attention layers and enabling practical design of effective perturbation strategies.
comment: Project page: https://cvlab-kaist.github.io/HeadHunter/
♻ ☆ Understanding World or Predicting Future? A Comprehensive Survey of World Models
The concept of world models has garnered significant attention due to advancements in multimodal large language models such as GPT-4 and video generation models such as Sora, which are central to the pursuit of artificial general intelligence. This survey offers a comprehensive review of the literature on world models. Generally, world models are regarded as tools for either understanding the present state of the world or predicting its future dynamics. This review presents a systematic categorization of world models, emphasizing two primary functions: (1) constructing internal representations to understand the mechanisms of the world, and (2) predicting future states to simulate and guide decision-making. Initially, we examine the current progress in these two categories. We then explore the application of world models in key domains, including autonomous driving, robotics, and social simulacra, with a focus on how each domain utilizes these aspects. Finally, we outline key challenges and provide insights into potential future research directions. We summarize the representative papers along with their code repositories in https://github.com/tsinghua-fib-lab/World-Model.
comment: Accepted by ACM CSUR, 37 pages, 7 figures, 7 tables
♻ ☆ Federated Learning Clients Clustering with Adaptation to Data Drifts
Federated Learning (FL) trains deep models across edge devices without centralizing raw data, preserving user privacy. However, client heterogeneity slows down convergence and limits global model accuracy. Clustered FL (CFL) mitigates this by grouping clients with similar representations and training a separate model for each cluster. In practice, client data evolves over time, a phenomenon we refer to as data drift, which breaks cluster homogeneity and degrades performance. Data drift can take different forms depending on whether changes occur in the output values, the input features, or the relationship between them. We propose FIELDING, a CFL framework for handling diverse types of data drift with low overhead. FIELDING detects drift at individual clients and performs selective re-clustering to balance cluster quality and model performance, while remaining robust to malicious clients and varying levels of heterogeneity. Experiments show that FIELDING improves final model accuracy by 1.9-5.9% and achieves target accuracy 1.16x-2.23x faster than existing state-of-the-art CFL methods.
comment: 24 pages, 16 figures
♻ ☆ Quantum-Classical Hybrid Quantized Neural Network
Here in this work, we present a novel Quadratic Binary Optimization (QBO) model for quantized neural network training, enabling the use of arbitrary activation and loss functions through spline interpolation. We introduce Forward Interval Propagation (FIP), a method designed to tackle the challenges of non-linearity and the multi-layer composite structure in neural networks by discretizing activation functions into linear subintervals. This approach preserves the universal approximation properties of neural networks while allowing complex nonlinear functions to be optimized using quantum computers, thus broadening their applicability in artificial intelligence. We provide theoretical upper bounds on the approximation error and the number of Ising spins required, by deriving the sample complexity of the empirical risk minimization problem, from an optimization perspective. A significant challenge in solving the associated Quadratic Constrained Binary Optimization (QCBO) model on a large scale is the presence of numerous constraints. When employing the penalty method to handle these constraints, tuning a large number of penalty coefficients becomes a critical hyperparameter optimization problem, increasing computational complexity and potentially affecting solution quality. To address this, we employ the Quantum Conditional Gradient Descent (QCGD) algorithm, which leverages quantum computing to directly solve the QCBO problem. We prove the convergence of QCGD under a quantum oracle with randomness and bounded variance in objective value, as well as under limited precision constraints in the coefficient matrix. Additionally, we provide an upper bound on the Time-To-Solution for the QCBO solving process. Experimental results using a coherent Ising machine (CIM) demonstrate a 94.95% accuracy on the Fashion MNIST classification task, with only 1.1-bit precision.
comment: 27 pages, 5 figures, comments are welcome
♻ ☆ mSTEB: Massively Multilingual Evaluation of LLMs on Speech and Text Tasks
Large Language models (LLMs) have demonstrated impressive performance on a wide range of tasks, including in multimodal settings such as speech. However, their evaluation is often limited to English and a few high-resource languages. For low-resource languages, there is no standardized evaluation benchmark. In this paper, we address this gap by introducing mSTEB, a new benchmark to evaluate the performance of LLMs on a wide range of tasks covering language identification, text classification, question answering, and translation tasks on both speech and text modalities. We evaluated the performance of leading LLMs such as Gemini 2.0 Flash and GPT-4o (Audio) and state-of-the-art open models such as Qwen 2 Audio and Gemma 3 27B. Our evaluation shows a wide gap in performance between high-resource and low-resource languages, especially for languages spoken in Africa and Americas/Oceania. Our findings show that more investment is needed to address their under-representation in LLMs coverage.
comment: working paper
♻ ☆ Low-light Pedestrian Detection in Visible and Infrared Image Feeds: Issues and Challenges
Pedestrian detection has become a cornerstone for several high-level tasks, including autonomous driving, intelligent transportation, and traffic surveillance. There are several works focussed on pedestrian detection using visible images, mainly in the daytime. However, this task is very intriguing when the environmental conditions change to poor lighting or nighttime. Recently, new ideas have been spurred to use alternative sources, such as Far InfraRed (FIR) temperature sensor feeds for detecting pedestrians in low-light conditions. This study reviews recent developments in low-light pedestrian detection approaches. It systematically categorizes and analyses various algorithms from region-based to non-region-based and graph-based learning methodologies by highlighting their methodologies, implementation issues, and challenges. It also outlines the key benchmark datasets that can be used for research and development of advanced pedestrian detection algorithms, particularly in low-light situations.
comment: 29 pages, 4 tables, 21 figures
♻ ☆ Thought Anchors: Which LLM Reasoning Steps Matter?
Reasoning large language models have recently achieved state-of-the-art performance in many fields. However, their long-form chain-of-thought reasoning creates interpretability challenges as each generated token depends on all previous ones, making the computation harder to decompose. We argue that analyzing reasoning traces at the sentence level is a promising approach to understanding reasoning processes. We present three complementary attribution methods: (1) a black-box method measuring each sentence's counterfactual importance by comparing final answers across 100 rollouts conditioned on the model generating that sentence or one with a different meaning; (2) a white-box method of aggregating attention patterns between pairs of sentences, which identified "broadcasting" sentences that receive disproportionate attention from all future sentences via "receiver" attention heads; (3) a causal attribution method measuring logical connections between sentences by suppressing attention toward one sentence and measuring the effect on each future sentence's tokens. Each method provides evidence for the existence of thought anchors, reasoning steps that have outsized importance and that disproportionately influence the subsequent reasoning process. These thought anchors are typically planning or backtracking sentences. We provide an open-source tool (www.thought-anchors.com) for visualizing the outputs of our methods, and present a case study showing converging patterns across methods that map how a model performs multi-step reasoning. The consistency across methods demonstrates the potential of sentence-level analysis for a deeper understanding of reasoning models.
comment: Paul C. Bogdan and Uzay Macar contributed equally to this work, and their listed order was determined by coinflip. Neel Nanda and Arthur Conmy contributed equally to this work as senior authors, and their listed order was determined by coinflip
♻ ☆ Conformal Prediction with Upper and Lower Bound Models
This paper studies a Conformal Prediction (CP) methodology for building prediction intervals in a regression setting, given only deterministic lower and upper bounds on the target variable. It proposes a new CP mechanism (CPUL) that goes beyond post-processing by adopting a model selection approach over multiple nested interval construction methods. Paradoxically, many well-established CP methods, including CPUL, may fail to provide adequate coverage in regions where the bounds are tight. To remedy this limitation, the paper proposes an optimal thresholding mechanism, OMLT, that adjusts CPUL intervals in tight regions with undercoverage. The combined CPUL-OMLT is validated on large-scale learning tasks where the goal is to bound the optimal value of a parametric optimization problem. The experimental results demonstrate substantial improvements over baseline methods across various datasets.
♻ ☆ Next-token prediction capacity: general upper bounds and a lower bound for transformers
Given a sequence of tokens, such as words, the task of next-token prediction is to predict the next-token conditional probability distribution. Decoder-only transformers have become effective models for this task, but their properties are still not fully understood. In particular, the largest number of distinct context sequences that a decoder-only transformer can interpolate next-token distributions for has not been established. To fill this gap, we prove upper and lower bounds on this number, which are equal up to a multiplicative constant. We prove these bounds in the general setting where next-token distributions can be arbitrary as well as the empirical setting where they are calculated from a finite number of document sequences. Our lower bounds are for one-layer multi-head decoder-only transformers and our proofs highlight an important injectivity property satisfied by self-attention. Furthermore, we provide numerical evidence that the minimal number of parameters for memorization is sufficient for being able to train the model to the entropy lower bound.
comment: V3: added two examples, a remark, and a second experiment where only the FNN layers are trained
♻ ☆ HyperINF: Unleashing the HyperPower of the Schulz's Method for Data Influence Estimation
Influence functions provide a principled method to assess the contribution of individual training samples to a specific target. Yet, their high computational costs limit their applications on large-scale models and datasets. Existing methods proposed for influence function approximation have significantly reduced the computational overheads. However, they mostly suffer from inaccurate estimation due to the lack of strong convergence guarantees from the algorithm. The family of hyperpower methods are well-known for their rigorous convergence guarantees on matrix inverse approximation, while the matrix multiplication operation can involve intractable memory and computation costs on large-scale models. We propose HyperINF, an efficient and accurate influence function approximation method which leverages the hyperpower method, specifically Schulz's iterative algorithm. To deal with the computation-intensive matrix multiplication, we incorporate the generalized fisher information (GFIM) as a low-rank approximation of the Hessian matrix, which reduces the memory and computation overheads to constant costs independent of ranks on LoRA-tuned models. We first demonstrate the superior accuracy and stability of HyperINF compared to other baselines through a synthetic convergence simulation for matrix inversion. We further validate the efficacy of HyperINF through extensive real-world data attribution tasks, including mislabeled data detection and data selection for LLM and VLM fine-tuning. On LoRA-tuned models, HyperINF achieves superior downstream performance with minimal memory and computational overhead, while other baselines suffer from significant degradation. Our codebase is available at https://github.com/Blackzxy/HyperINF.
♻ ☆ Fairly Accurate: Fairness-aware Multi-group Target Detection in Online Discussion
Target-group detection is the task of detecting which group(s) a social media post is ``directed at or about'', with various applications, such as targeted-marketing. In this work, we focus on the fairness implications of target-group detection in the context of toxicity detection, where the perceived harm of a post often depends on which group(s) it targets. Because toxicity is highly contextual, language that appears benign in general may be harmful when targeting specific demographic groups. It is thus important to first detect which group(s) are being {\em targeted} by a post as a precursor to the subsequent task of determining whether the post is toxic given the group(s). Target-group detection is also challenging: a single post may simultaneously target one to many groups, and we must detect groups fairly in order to promote equitable treatment. We show that our proposed approach to {\em fairness-aware multi target-group detection} not only reduces bias across groups, but also achieves competitive predictive performance, outperforming existing fairness-aware baselines. To spur future research on fairness-aware target-group detection and support competitive benchmarking, we also share our code.
♻ ☆ Always Skip Attention ICCV 2025
We highlight a curious empirical result within modern Vision Transformers (ViTs). Specifically, self-attention catastrophically fails to train unless it is used in conjunction with a skip connection. This is in contrast to other elements of a ViT that continue to exhibit good performance (albeit suboptimal) when skip connections are removed. Further, we show that this critical dependence on skip connections is a relatively new phenomenon, with previous deep architectures (\eg, CNNs) exhibiting good performance in their absence. In this paper, we theoretically characterize that the self-attention mechanism is fundamentally ill-conditioned and is, therefore, uniquely dependent on skip connections for regularization. Additionally, we propose Token Graying -- a simple yet effective complement (to skip connections) that further improves the condition of input tokens. We validate our approach in both supervised and self-supervised training methods.
comment: This work has just been accepted by ICCV 2025
♻ ☆ A3 : an Analytical Low-Rank Approximation Framework for Attention
Large language models have demonstrated remarkable performance; however, their massive parameter counts make deployment highly expensive. Low-rank approximation offers a promising compression solution, yet existing approaches have two main limitations: (1) They focus on minimizing the output error of individual linear layers, without considering the architectural characteristics of Transformers, and (2) they decompose a large weight matrix into two small low-rank matrices. Consequently, these methods often fall short compared to other compression techniques like pruning and quantization, and introduce runtime overhead such as the extra GEMM kernel launches for decomposed small matrices. To address these limitations, we propose $\tt A^\tt 3$, a post-training low-rank approximation framework. $\tt A^\tt 3$ splits a Transformer layer into three functional components, namely $\tt QK$, $\tt OV$, and $\tt MLP$. For each component, $\tt A^\tt 3$ provides an analytical solution that reduces the hidden dimension size inside each component while minimizing the component's functional loss ($\it i.e.$, error in attention scores, attention outputs, and MLP outputs). This approach directly reduces model sizes, KV cache sizes, and FLOPs without introducing any runtime overheads. In addition, it provides a new narrative in advancing the optimization problem from singular linear layer loss optimization toward improved end-to-end performance. Through extensive experiments, we show that $\tt A^\tt 3$ maintains superior performance compared to SoTAs. For example, under the same reduction budget in computation and memory, our low-rank approximated LLaMA 3.1-70B achieves a perplexity of 4.69 on WikiText-2, outperforming the previous SoTA's 7.87 by 3.18. We also demonstrate the versatility of $\tt A^\tt 3$, including KV cache compression, quantization, and mixed-rank assignments for enhanced performance.
♻ ☆ High-dimensional Contextual Bandit Problem without Sparsity
In this research, we investigate the high-dimensional linear contextual bandit problem where the number of features $p$ is greater than the budget $T$, or it may even be infinite. Differing from the majority of previous works in this field, we do not impose sparsity on the regression coefficients. Instead, we rely on recent findings on overparameterized models, which enables us to analyze the performance of the minimum-norm interpolating estimator when data distributions have small effective ranks. We propose an explore-then-commit (EtC) algorithm to address this problem and examine its performance. Through our analysis, we derive the optimal rate of the ETC algorithm in terms of $T$ and show that this rate can be achieved by balancing exploration and exploitation. Moreover, we introduce an adaptive explore-then-commit (AEtC) algorithm that adaptively finds the optimal balance. We assess the performance of the proposed algorithms through a series of simulations.
♻ ☆ Subspace-Distance-Enabled Active Learning for Efficient Data-Driven Model Reduction of Parametric Dynamical Systems
In situations where the solution of a high-fidelity dynamical system needs to be evaluated repeatedly, over a vast pool of parametric configurations and in absence of access to the underlying governing equations, data-driven model reduction techniques are preferable. We propose a novel active learning approach to build a parametric data-driven reduced-order model (ROM) by greedily picking the most important parameter samples from the parameter domain. As a result, during the ROM construction phase, the number of high-fidelity solutions dynamically grow in a principled fashion. The high-fidelity solution snapshots are expressed in several parameter-specific linear subspaces, with the help of proper orthogonal decomposition (POD), and the relative distance between these subspaces is used as a guiding mechanism to perform active learning. For successfully achieving this, we provide a distance measure to evaluate the similarity between pairs of linear subspaces with different dimensions, and also show that this distance measure is a metric. The usability of the proposed subspace-distance-enabled active learning (SDE-AL) framework is demonstrated by augmenting two existing non-intrusive reduced-order modeling approaches, and providing their active-learning-driven (ActLearn) extensions, namely, SDE-ActLearn-POD-KSNN, and SDE-ActLearn-POD-NN. Furthermore, we report positive results for two parametric physical models, highlighting the efficiency of the proposed SDE-AL approach.
comment: 31 pages, 10 figures, 4 tables; v2: minor improvements
♻ ☆ InterFormer: Effective Heterogeneous Interaction Learning for Click-Through Rate Prediction
Click-through rate (CTR) prediction, which predicts the probability of a user clicking an ad, is a fundamental task in recommender systems. The emergence of heterogeneous information, such as user profile and behavior sequences, depicts user interests from different aspects. A mutually beneficial integration of heterogeneous information is the cornerstone towards the success of CTR prediction. However, most of the existing methods suffer from two fundamental limitations, including (1) insufficient inter-mode interaction due to the unidirectional information flow between modes, and (2) aggressive information aggregation caused by early summarization, resulting in excessive information loss. To address the above limitations, we propose a novel module named InterFormer to learn heterogeneous information interaction in an interleaving style. To achieve better interaction learning, InterFormer enables bidirectional information flow for mutually beneficial learning across different modes. To avoid aggressive information aggregation, we retain complete information in each data mode and use a separate bridging arch for effective information selection and summarization. Our proposed InterFormer achieves state-of-the-art performance on three public datasets and a large-scale industrial dataset.
comment: 11 pages, 6 figures
♻ ☆ From Tiny Machine Learning to Tiny Deep Learning: A Survey
The rapid growth of edge devices has driven the demand for deploying artificial intelligence (AI) at the edge, giving rise to Tiny Machine Learning (TinyML) and its evolving counterpart, Tiny Deep Learning (TinyDL). While TinyML initially focused on enabling simple inference tasks on microcontrollers, the emergence of TinyDL marks a paradigm shift toward deploying deep learning models on severely resource-constrained hardware. This survey presents a comprehensive overview of the transition from TinyML to TinyDL, encompassing architectural innovations, hardware platforms, model optimization techniques, and software toolchains. We analyze state-of-the-art methods in quantization, pruning, and neural architecture search (NAS), and examine hardware trends from MCUs to dedicated neural accelerators. Furthermore, we categorize software deployment frameworks, compilers, and AutoML tools enabling practical on-device learning. Applications across domains such as computer vision, audio recognition, healthcare, and industrial monitoring are reviewed to illustrate the real-world impact of TinyDL. Finally, we identify emerging directions including neuromorphic computing, federated TinyDL, edge-native foundation models, and domain-specific co-design approaches. This survey aims to serve as a foundational resource for researchers and practitioners, offering a holistic view of the ecosystem and laying the groundwork for future advancements in edge AI.
♻ ☆ Reducing Biases in Record Matching Through Scores Calibration
Record matching is the task of identifying records that refer to the same real-world entity across datasets. While most existing models optimize for accuracy, fairness has become an important concern due to the potential for unequal outcomes across demographic groups. Prior work typically focuses on binary outcomes evaluated at fixed decision thresholds. However, such evaluations can miss biases in matching scores--biases that persist across thresholds and affect downstream tasks. We propose a threshold-independent framework for measuring and reducing score bias, defined as disparities in the distribution of matching scores across groups. We show that several state-of-the-art matching methods exhibit substantial score bias, even when appearing fair under standard threshold-based metrics. To address this, we introduce two post-processing score calibration algorithms. The first, calib, aligns group-wise score distributions using the Wasserstein barycenter, targeting demographic parity. The second, ccalib, conditions on predicted labels to further reduce label-dependent biases, such as equal opportunity. Both methods are model-agnostic and require no access to model training data. calib also offers theoretical guarantees, ensuring reduced bias with minimal deviation from original scores. Experiments across real-world datasets and matching models confirm that calib and ccalib substantially reduce score bias while minimally impacting model accuracy.
♻ ☆ Discovering Global False Negatives On the Fly for Self-supervised Contrastive Learning ICML 2025
In self-supervised contrastive learning, negative pairs are typically constructed using an anchor image and a sample drawn from the entire dataset, excluding the anchor. However, this approach can result in the creation of negative pairs with similar semantics, referred to as "false negatives", leading to their embeddings being falsely pushed apart. To address this issue, we introduce GloFND, an optimization-based approach that automatically learns on the fly the threshold for each anchor data to identify its false negatives during training. In contrast to previous methods for false negative discovery, our approach globally detects false negatives across the entire dataset rather than locally within the mini-batch. Moreover, its per-iteration computation cost remains independent of the dataset size. Experimental results on image and image-text data demonstrate the effectiveness of the proposed method. Our implementation is available at https://github.com/vibalcam/GloFND.
comment: Accepted to ICML 2025
♻ ☆ Composite Flow Matching for Reinforcement Learning with Shifted-Dynamics Data
Incorporating pre-collected offline data from a source environment can significantly improve the sample efficiency of reinforcement learning (RL), but this benefit is often challenged by discrepancies between the transition dynamics of the source and target environments. Existing methods typically address this issue by penalizing or filtering out source transitions in high dynamics-gap regions. However, their estimation of the dynamics gap often relies on KL divergence or mutual information, which can be ill-defined when the source and target dynamics have disjoint support. To overcome these limitations, we propose CompFlow, a method grounded in the theoretical connection between flow matching and optimal transport. Specifically, we model the target dynamics as a conditional flow built upon the output distribution of the source-domain flow, rather than learning it directly from a Gaussian prior. This composite structure offers two key advantages: (1) improved generalization for learning target dynamics, and (2) a principled estimation of the dynamics gap via the Wasserstein distance between source and target transitions. Leveraging our principled estimation of the dynamics gap, we further introduce an optimistic active data collection strategy that prioritizes exploration in regions of high dynamics gap, and theoretically prove that it reduces the performance disparity with the optimal policy. Empirically, CompFlow outperforms strong baselines across several RL benchmarks with shifted dynamics.
♻ ☆ Harnessing the Universal Geometry of Embeddings
We introduce the first method for translating text embeddings from one vector space to another without any paired data, encoders, or predefined sets of matches. Our unsupervised approach translates any embedding to and from a universal latent representation (i.e., a universal semantic structure conjectured by the Platonic Representation Hypothesis). Our translations achieve high cosine similarity across model pairs with different architectures, parameter counts, and training datasets. The ability to translate unknown embeddings into a different space while preserving their geometry has serious implications for the security of vector databases. An adversary with access only to embedding vectors can extract sensitive information about the underlying documents, sufficient for classification and attribute inference.
♻ ☆ TaxaDiffusion: Progressively Trained Diffusion Model for Fine-Grained Species Generation ICCV 2025
We propose TaxaDiffusion, a taxonomy-informed training framework for diffusion models to generate fine-grained animal images with high morphological and identity accuracy. Unlike standard approaches that treat each species as an independent category, TaxaDiffusion incorporates domain knowledge that many species exhibit strong visual similarities, with distinctions often residing in subtle variations of shape, pattern, and color. To exploit these relationships, TaxaDiffusion progressively trains conditioned diffusion models across different taxonomic levels -- starting from broad classifications such as Class and Order, refining through Family and Genus, and ultimately distinguishing at the Species level. This hierarchical learning strategy first captures coarse-grained morphological traits shared by species with common ancestors, facilitating knowledge transfer before refining fine-grained differences for species-level distinction. As a result, TaxaDiffusion enables accurate generation even with limited training samples per species. Extensive experiments on three fine-grained animal datasets demonstrate that outperforms existing approaches, achieving superior fidelity in fine-grained animal image generation. Project page: https://amink8.github.io/TaxaDiffusion/
comment: Accepted to ICCV 2025
♻ ☆ Advanced computer vision for extracting georeferenced vehicle trajectories from drone imagery
This paper presents a framework for extracting georeferenced vehicle trajectories from high-altitude drone imagery, addressing key challenges in urban traffic monitoring and the limitations of traditional ground-based systems. Our approach integrates several novel contributions, including a tailored object detector optimized for high-altitude bird's-eye view perspectives, a unique track stabilization method that uses detected vehicle bounding boxes as exclusion masks during image registration, and an orthophoto and master frame-based georeferencing strategy that enhances consistent alignment across multiple drone viewpoints. Additionally, our framework features robust vehicle dimension estimation and detailed road segmentation, enabling comprehensive traffic analysis. Conducted in the Songdo International Business District, South Korea, the study utilized a multi-drone experiment covering 20 intersections, capturing approximately 12TB of 4K video data over four days. The framework produced two high-quality datasets: the Songdo Traffic dataset, comprising approximately 700,000 unique vehicle trajectories, and the Songdo Vision dataset, containing over 5,000 human-annotated images with about 300,000 vehicle instances in four classes. Comparisons with high-precision sensor data from an instrumented probe vehicle highlight the accuracy and consistency of our extraction pipeline in dense urban environments. The public release of Songdo Traffic and Songdo Vision, and the complete source code for the extraction pipeline, establishes new benchmarks in data quality, reproducibility, and scalability in traffic research. Results demonstrate the potential of integrating drone technology with advanced computer vision for precise and cost-effective urban traffic monitoring, providing valuable resources for developing intelligent transportation systems and enhancing traffic management strategies.
♻ ☆ Steering Your Diffusion Policy with Latent Space Reinforcement Learning
Robotic control policies learned from human demonstrations have achieved impressive results in many real-world applications. However, in scenarios where initial performance is not satisfactory, as is often the case in novel open-world settings, such behavioral cloning (BC)-learned policies typically require collecting additional human demonstrations to further improve their behavior -- an expensive and time-consuming process. In contrast, reinforcement learning (RL) holds the promise of enabling autonomous online policy improvement, but often falls short of achieving this due to the large number of samples it typically requires. In this work we take steps towards enabling fast autonomous adaptation of BC-trained policies via efficient real-world RL. Focusing in particular on diffusion policies -- a state-of-the-art BC methodology -- we propose diffusion steering via reinforcement learning (DSRL): adapting the BC policy by running RL over its latent-noise space. We show that DSRL is highly sample efficient, requires only black-box access to the BC policy, and enables effective real-world autonomous policy improvement. Furthermore, DSRL avoids many of the challenges associated with finetuning diffusion policies, obviating the need to modify the weights of the base policy at all. We demonstrate DSRL on simulated benchmarks, real-world robotic tasks, and for adapting pretrained generalist policies, illustrating its sample efficiency and effective performance at real-world policy improvement.
♻ ☆ Revealing higher-order neural representations of uncertainty with the Noise Estimation through Reinforcement-based Diffusion (NERD) model
Studies often aim to reveal ``first-order" representations (FORs), which encode aspects of an observer's environment, such as contents or structure. A less-common target is ``higher-order" representations (HORs), which are ``about" FORs -- e.g., their strength or uncertainty -- and which may contribute to learning. HORs about uncertainty are unlikely to be direct ``read-outs" of FOR characteristics, instead reflecting noisy estimation processes incorporating prior expectations about uncertainty, but how the brain represents such expected uncertainty distributions remains largely unexplored. Here, we study ``noise expectation" HORs using neural data from a task which may require the brain to learn about its own noise: decoded neurofeedback, wherein human subjects learn to volitionally produce target neural patterns. We develop and apply a Noise Estimation through Reinforcement-based Diffusion (NERD) model to characterize how brains may undertake this process, and show that NERD offers high explanatory power for human behavior.
comment: 27 pages, 7 figures, 12 equations
♻ ☆ GASP: Efficient Black-Box Generation of Adversarial Suffixes for Jailbreaking LLMs
LLMs have shown impressive capabilities across various natural language processing tasks, yet remain vulnerable to input prompts, known as jailbreak attacks, carefully designed to bypass safety guardrails and elicit harmful responses. Traditional methods rely on manual heuristics but suffer from limited generalizability. Despite being automatic, optimization-based attacks often produce unnatural prompts that can be easily detected by safety filters or require high computational costs due to discrete token optimization. In this paper, we introduce Generative Adversarial Suffix Prompter (GASP), a novel automated framework that can efficiently generate human-readable jailbreak prompts in a fully black-box setting. In particular, GASP leverages latent Bayesian optimization to craft adversarial suffixes by efficiently exploring continuous latent embedding spaces, gradually optimizing the suffix prompter to improve attack efficacy while balancing prompt coherence via a targeted iterative refinement procedure. Through comprehensive experiments, we show that GASP can produce natural adversarial prompts, significantly improving jailbreak success over baselines, reducing training times, and accelerating inference speed, thus making it an efficient and scalable solution for red-teaming LLMs.
comment: 38 pages, 8 tables, 18 figures
♻ ☆ Backpropagation Through Time For Networks With Long-Term Dependencies
Backpropagation through time (BPTT) is a technique of updating tuned parameters within recurrent neural networks (RNNs). Several attempts at creating such an algorithm have been made including: Nth Ordered Approximations and Truncated-BPTT. These methods approximate the backpropagation gradients under the assumption that the RNN only utilises short-term dependencies. This is an acceptable assumption to make for the current state of artificial neural networks. As RNNs become more advanced, a shift towards influence by long-term dependencies is likely. Thus, a new method for backpropagation is required. We propose using the 'discrete forward sensitivity equation' and a variant of it for single and multiple interacting recurrent loops respectively. This solution is exact and also allows the network's parameters to vary between each subsequent step, however it does require the computation of a Jacobian.
comment: 8 Pages, 1 Figure; typos corrected, references added, altered section titles, added further commentary in section 2.1
Genomics 2
☆ inMOTIFin: a lightweight end-to-end simulation software for regulatory sequences
The accurate development, assessment, interpretation, and benchmarking of bioinformatics frameworks for analyzing transcriptional regulatory grammars rely on controlled simulations to validate the underlying methods. However, existing simulators often lack end-to-end flexibility or ease of integration, which limits their practical use. We present inMOTIFin, a lightweight, modular, and user-friendly Python-based software that addresses these gaps by providing versatile and efficient simulation and modification of DNA regulatory sequences. inMOTIFin enables users to simulate or modify regulatory sequences efficiently for the customizable generation of motifs and insertion of motif instances with precise control over their positions, co-occurrences, and spacing, as well as direct modification of real sequences, facilitating a comprehensive evaluation of motif-based methods and interpretation tools. We demonstrate inMOTIFin applications for the assessment of de novo motif discovery prediction, the analysis of transcription factor cooperativity, and the support of explainability analyses for deep learning models. inMOTIFin ensures robust and reproducible analyses for studying transcriptional regulatory grammars. inMOTIFin is available at PyPI https://pypi.org/project/inMOTIFin/ and Docker Hub https://hub.docker.com/r/cbgr/inmotifin. Detailed documentation is available at https://inmotifin.readthedocs.io/en/latest/. The code for use case analyses is available at https://bitbucket.org/CBGR/inmotifin_evaluation/src/main/.
♻ ☆ Harnessing the Potential of Spatial Statistics for Spatial Omics Data with pasta
Spatial omics assays allow for the molecular characterisation of cells in their spatial context. Notably, the two main technological streams, imaging-based and high-throughput sequencing-based, can give rise to very different data modalities. The characteristics of the two data types are well known in adjacent fields such as spatial statistics as point patterns and lattice data, and there is a wide range of tools available. This paper discusses the application of spatial statistics to spatially-resolved omics data and in particular, discusses various advantages, challenges, and nuances. This work is accompanied by a vignette, pasta, that showcases the usefulness of spatial statistics in biology using several R packages.
Quantitative Methods 8
☆ Behavioral Traits as Dynamical Systems: Utilizing Entropy to Analyze Longitudinal Psychometric Data in Coupled Ordinary Differential Equations
Traits such as neuroticism persist across species despite exhibiting characteristics typically regarded as maladaptive. This project presents an alternative model for understanding the stability of such traits by integrating findings from the Swedish Adoption/Twin Study on Aging (Pedersen, 2015) (SATSA) with a system of recursive, biologically inspired ordinary differential equations (ODEs). To utilize the ODEs analytically, Shannon entropy is extracted from longitudinal Likert-scale psychometric data, enabling the translation of high-dimensional behavioral responses into continuous-time dynamical systems. The model incorporates principles from evolutionary biology, including mutation-selection balance, genetic pleiotropy and metabolic constraints, and embeds environmental feedback as a recursive driver of phenotypic expression. The argument is presented that traits such as neuroticism exist not stochastically, but as emergent multistable attractors within a biologically-constrained system. This paper shows that entropy extracted from longitudinal psychometric data can be meaningfully modeled using recursive ordinary differential equations, revealing stable dynamical attractors and biologically and environmentally grounded constraints in traits often deemed maladaptive. This framework offers a scalable, mathematically grounded foundation for analyzing phenotypic expression, with the ultimate goal of biological extension for eventual multi-omic modeling of behavioral traits.
comment: 28 pages, 7 figures
☆ Papanicolaou Stain Unmixing for RGB Image Using Weighted Nucleus Sparsity and Total Variation Regularization
The Papanicolaou stain, consisting of eosin Y, hematoxylin, light Green SF yellowish, orange G, and Bismarck brown Y, provides extensive color information essential for cervical cancer screening in cytopathology. However, the visual observation of these colors is subjective and difficult to characterize. In digital image analysis, the RGB intensities are affected by staining and imaging variations, hindering direct quantification of color in Papanicolaou-stained samples. Stain unmixing is a promising alternative that quantifies the amounts of dyes. In previous work, multispectral imaging was utilized to estimate the dye amounts of Papanicolaou stain for quantitative diagnosis. Still, its application to RGB images presents a challenge since the number of dyes exceeds the three RGB channels. This paper proposes a novel Papanicolaou stain unmixing method for RGB images that incorporates three key assumptions: nonnegative stain abundances; a sparse spatial distribution of hematoxylin, which binds to nuclei; and piecewise smoothness of stain abundances. By formulating this as an optimization problem with nonnegativity, weighted nucleus sparsity, and total variation regularizations, our method achieved excellent performance in stain quantification when validated against the results of multispectral imaging. We also adopted the proposed method for discriminating lobular endocervical glandular hyperplasia (LEGH), a precancerous lesion of gastric-type adenocarcinoma of the cervix. The resulting quantification distinctly characterized differences between LEGH and normal endocervical cells with stain abundance, and a classifier based on the quantification results achieved 98.0% accuracy. This demonstrates the significant potential of RGB-based stain unmixing for quantitative diagnosis.
comment: 22 pages, 12 figures
☆ Integrating Pharmacokinetics and Pharmacodynamics Modeling with Quantum Regression for Predicting Herbal Compound Toxicity
Herbal compounds present complex toxicity profiles that are often influenced by both intrinsic chemical properties and pharmacokinetics (PK) governing absorption and clearance. In this study, we develop a quantum regression model to predict acute toxicity severity for herbal-derived compounds by integrating toxicity data from NICEATM with pharmacological features from TCMSP.
comment: Conference can be found here: https://www.american-cse.org/csce2025/program
☆ Balancing the cellular budget: lessons in metabolism from microbes to cancer
Cancer cells are often seen to prefer glycolytic metabolism over oxidative phosphorylation even in the presence of oxygen-a phenomenon termed the Warburg effect. Despite significant strides in the decades since its discovery, a clear basis is yet to be established for the Warburg effect and why cancer cells show such a preference for aerobic glycolysis. In this review, we draw on what is known about similar metabolic shifts both in normal mammalian physiology and overflow metabolism in microbes to shed new light on whether aerobic glycolysis in cancer represents some form of optimisation of cellular metabolism. From microbes to cancer, we find that metabolic shifts favouring glycolysis are sometimes driven by the need for faster growth, but the growth rate is by no means a universal goal of optimal metabolism. Instead, optimisation goals at the cellular level are often multi-faceted and any given metabolic state must be considered in the context of both its energetic costs and benefits over a range of environmental contexts. For this purpose, we identify the conceptual framework of resource allocation as a potential testbed for the investigation of the cost-benefit balance of cellular metabolic strategies. Such a framework is also readily integrated with dynamical systems modelling, making it a promising avenue for new answers to the age-old question of why cells, from cancers to microbes, choose the metabolic strategies they do.
comment: 18 pages and 1 figure Submitted to the journal BioSystems, see https://www.sciencedirect.com/special-issue/10VK46MFTR8
☆ Evaluating PDE discovery methods for multiscale modeling of biological signals
Biological systems are non-linear, include unobserved variables and the physical principles that govern their dynamics are partly unknown. This makes the characterization of their behavior very challenging. Notably, their activity occurs on multiple interdependent spatial and temporal scales that require linking mechanisms across scales. To address the challenge of bridging gaps between scales, we leverage partial differential equations (PDE) discovery. PDE discovery suggests meso-scale dynamics characteristics from micro-scale data. In this article, we present our framework combining particle-based simulations and PDE discovery and conduct preliminary experiments to assess equation discovery in controlled settings. We evaluate five state-of-the-art PDE discovery methods on particle-based simulations of calcium diffusion in astrocytes. The performances of the methods are evaluated on both the form of the discovered equation and the forecasted temporal variations of calcium concentration. Our results show that several methods accurately recover the diffusion term, highlighting the potential of PDE discovery for capturing macroscopic dynamics in biological systems from microscopic data.
♻ ☆ Effective Stimulus Propagation in Neural Circuits: Driver Node Selection
Precise control of signal propagation in modular neural networks represents a fundamental challenge in computational neuroscience. We establish a framework for identifying optimal control nodes that maximize stimulus transmission between weakly coupled neural populations. Using spiking stochastic block model networks, we systematically compare driver node selection strategies - including random sampling and topology-based centrality measures (degree, betweenness, closeness, eigenvector, harmonic, and percolation centrality) - to determine minimal control inputs for achieving inter-population synchronization. Targeted stimulation of just 10-20% of the most central neurons in the source population significantly enhances spiking propagation fidelity compared to random selection. This approach yields a 64-fold increase in signal transfer efficiency at critical inter-module connection densities. These findings establish a theoretical foundation for precision neuromodulation in biological neural systems and neurotechnology applications.
♻ ☆ Harnessing the Potential of Spatial Statistics for Spatial Omics Data with pasta
Spatial omics assays allow for the molecular characterisation of cells in their spatial context. Notably, the two main technological streams, imaging-based and high-throughput sequencing-based, can give rise to very different data modalities. The characteristics of the two data types are well known in adjacent fields such as spatial statistics as point patterns and lattice data, and there is a wide range of tools available. This paper discusses the application of spatial statistics to spatially-resolved omics data and in particular, discusses various advantages, challenges, and nuances. This work is accompanied by a vignette, pasta, that showcases the usefulness of spatial statistics in biology using several R packages.
♻ ☆ Predictive Modeling, Pattern Recognition, and Spatiotemporal Representations of Plant Growth in Simulated and Controlled Environments: A Comprehensive Review
Accurate predictions and representations of plant growth patterns in simulated and controlled environments are important for addressing various challenges in plant phenomics research. This review explores various works on state-of-the-art predictive pattern recognition techniques, focusing on the spatiotemporal modeling of plant traits and the integration of dynamic environmental interactions. We provide a comprehensive examination of deterministic, probabilistic, and generative modeling approaches, emphasizing their applications in high-throughput phenotyping and simulation-based plant growth forecasting. Key topics include regressions and neural network-based representation models for the task of forecasting, limitations of existing experiment-based deterministic approaches, and the need for dynamic frameworks that incorporate uncertainty and evolving environmental feedback. This review surveys advances in 2D and 3D structured data representations through functional-structural plant models and conditional generative models. We offer a perspective on opportunities for future works, emphasizing the integration of domain-specific knowledge to data-driven methods, improvements to available datasets, and the implementation of these techniques toward real-world applications.
Cell Behavior 2
☆ Bridging Classical Molecular Dynamics and Quantum Foundations for Comprehensive Protein Structural Analysis
The objective of this paper is to investigate the structural stability, dynamic properties, and potential interactions among Amyloid Precursor Protein (APP), Tau, and Alpha-synuclein through a series of molecular dynamics simulations that integrate publicly available structural data, detailed force-field parameters, and comprehensive analytical protocols. By focusing on these three proteins, which are each implicated in various neurodegenerative disorders, the study aims to elucidate how their conformational changes and interprotein contact sites may influence larger biological processes. Through rigorous evaluation of their folding behaviors, energetic interactions, and residue-specific functions, this work contributes to the broader understanding of protein aggregation mechanisms and offers insights that may ultimately guide therapeutic intervention strategies.
comment: Conference information can be found here: https://ieai.net/prog.html
☆ scMamba: A Scalable Foundation Model for Single-Cell Multi-Omics Integration Beyond Highly Variable Feature Selection
The advent of single-cell multi-omics technologies has enabled the simultaneous profiling of diverse omics layers within individual cells. Integrating such multimodal data provides unprecedented insights into cellular identity, regulatory processes, and disease mechanisms. However, it remains challenging, as current methods often rely on selecting highly variable genes or peaks during preprocessing, which may inadvertently discard crucial biological information. Here, we present scMamba, a foundation model designed to integrate single-cell multi-omics data without the need for prior feature selection while preserving genomic positional information. scMamba introduces a patch-based cell tokenization strategy that treats genomics regions as words (tokens) and cells as sentences. Building upon the concept of state space duality, scMamba distills rich biological insights from high-dimensional, sparse single-cell multi-omics data. Additionally, our novel contrastive learning approach, enhanced with cosine similarity regularization, enables superior alignment across omics layers compared to traditional methods. Systematic benchmarking across multiple datasets demonstrates that scMamba significantly outperforms state-of-the-art methods in preserving biological variation, aligning omics layers, and enhancing key downstream tasks such as clustering, cell type annotation, and trajectory inference. Our findings position scMamba as a powerful tool for large-scale single-cell multi-omics integration, capable of handling large-scale atlases and advancing biological discovery.
Computation and Language 95
☆ ScaleCap: Inference-Time Scalable Image Captioning via Dual-Modality Debiasing
This paper presents ScaleCap, an inference-time scalable image captioning strategy that generates comprehensive and detailed image captions. The key challenges of high-quality image captioning lie in the inherent biases of LVLMs: multimodal bias resulting in imbalanced descriptive granularity, offering detailed accounts of some elements while merely skimming over others; linguistic bias leading to hallucinated descriptions of non-existent objects. To address these issues, we propose a scalable debiased captioning strategy, which continuously enriches and calibrates the caption with increased inference budget. Specifically, we propose two novel components: heuristic question answering and contrastive sentence rating. The former generates content-specific questions based on the image and answers them to progressively inject relevant information into the caption. The latter employs sentence-level offline contrastive decoding to effectively identify and eliminate hallucinations caused by linguistic biases. With increased inference cost, more heuristic questions are raised by ScaleCap to progressively capture additional visual details, generating captions that are more accurate, balanced, and informative. Extensive modality alignment experiments demonstrate the effectiveness of ScaleCap. Annotating 450K images with ScaleCap and using them for LVLM pretraining leads to consistent performance gains across 11 widely used benchmarks. Furthermore, ScaleCap showcases superb richness and fidelity of generated captions with two additional tasks: replacing images with captions in VQA task, and reconstructing images from captions to assess semantic coverage. Code is available at https://github.com/Cooperx521/ScaleCap.
comment: Code is available at https://github.com/Cooperx521/ScaleCap
Orthogonal Finetuning Made Scalable
Orthogonal finetuning (OFT) offers highly parameter-efficient adaptation while preventing catastrophic forgetting, but its high runtime and memory demands limit practical deployment. We identify the core computational bottleneck in OFT as its weight-centric implementation, which relies on costly matrix-matrix multiplications with cubic complexity. To overcome this, we propose OFTv2, an input-centric reformulation that instead uses matrix-vector multiplications (i.e., matrix-free computation), reducing the computational cost to quadratic. We further introduce the Cayley-Neumann parameterization, an efficient orthogonal parameterization that approximates the matrix inversion in Cayley transform via a truncated Neumann series. These modifications allow OFTv2 to achieve up to 10x faster training and 3x lower GPU memory usage without compromising performance. In addition, we extend OFTv2 to support finetuning quantized foundation models and show that it outperforms the popular QLoRA in training stability, efficiency, and memory usage.
comment: Technical report (17 pages, 7 figures, project page: https://spherelab.ai/oftv2/)
☆ MAM: Modular Multi-Agent Framework for Multi-Modal Medical Diagnosis via Role-Specialized Collaboration ACL 2025
Recent advancements in medical Large Language Models (LLMs) have showcased their powerful reasoning and diagnostic capabilities. Despite their success, current unified multimodal medical LLMs face limitations in knowledge update costs, comprehensiveness, and flexibility. To address these challenges, we introduce the Modular Multi-Agent Framework for Multi-Modal Medical Diagnosis (MAM). Inspired by our empirical findings highlighting the benefits of role assignment and diagnostic discernment in LLMs, MAM decomposes the medical diagnostic process into specialized roles: a General Practitioner, Specialist Team, Radiologist, Medical Assistant, and Director, each embodied by an LLM-based agent. This modular and collaborative framework enables efficient knowledge updates and leverages existing medical LLMs and knowledge bases. Extensive experimental evaluations conducted on a wide range of publicly accessible multimodal medical datasets, incorporating text, image, audio, and video modalities, demonstrate that MAM consistently surpasses the performance of modality-specific LLMs. Notably, MAM achieves significant performance improvements ranging from 18% to 365% compared to baseline models. Our code is released at https://github.com/yczhou001/MAM.
comment: ACL 2025 Findings
☆ How Effectively Can BERT Models Interpret Context and Detect Bengali Communal Violent Text?
The spread of cyber hatred has led to communal violence, fueling aggression and conflicts between various religious, ethnic, and social groups, posing a significant threat to social harmony. Despite its critical importance, the classification of communal violent text remains an underexplored area in existing research. This study aims to enhance the accuracy of detecting text that incites communal violence, focusing specifically on Bengali textual data sourced from social media platforms. We introduce a fine-tuned BanglaBERT model tailored for this task, achieving a macro F1 score of 0.60. To address the issue of data imbalance, our dataset was expanded by adding 1,794 instances, which facilitated the development and evaluation of a fine-tuned ensemble model. This ensemble model demonstrated an improved performance, achieving a macro F1 score of 0.63, thus highlighting its effectiveness in this domain. In addition to quantitative performance metrics, qualitative analysis revealed instances where the models struggled with context understanding, leading to occasional misclassifications, even when predictions were made with high confidence. Through analyzing the cosine similarity between words, we identified certain limitations in the pre-trained BanglaBERT models, particularly in their ability to distinguish between closely related communal and non-communal terms. To further interpret the model's decisions, we applied LIME, which helped to uncover specific areas where the model struggled in understanding context, contributing to errors in classification. These findings highlight the promise of NLP and interpretability tools in reducing online communal violence. Our work contributes to the growing body of research in communal violence detection and offers a foundation for future studies aiming to refine these techniques for better accuracy and societal impact.
☆ Scaling Speculative Decoding with Lookahead Reasoning
Reasoning models excel by generating long chain-of-thoughts, but decoding the resulting thousands of tokens is slow. Token-level speculative decoding (SD) helps, but its benefit is capped, because the chance that an entire $\gamma$-token guess is correct falls exponentially as $\gamma$ grows. This means allocating more compute for longer token drafts faces an algorithmic ceiling -- making the speedup modest and hardware-agnostic. We raise this ceiling with Lookahead Reasoning, which exploits a second, step-level layer of parallelism. Our key insight is that reasoning models generate step-by-step, and each step needs only to be semantically correct, not exact token matching. In Lookahead Reasoning, a lightweight draft model proposes several future steps; the target model expands each proposal in one batched pass, and a verifier keeps semantically correct steps while letting the target regenerate any that fail. Token-level SD still operates within each reasoning step, so the two layers of parallelism multiply. We show Lookahead Reasoning lifts the peak speedup of SD both theoretically and empirically. Across GSM8K, AIME, and other benchmarks, Lookahead Reasoning improves the speedup of SD from 1.4x to 2.1x while preserving answer quality, and its speedup scales better with additional GPU throughput. Our code is available at https://github.com/hao-ai-lab/LookaheadReasoning
☆ Evaluating Compliance with Visualization Guidelines in Diagrams for Scientific Publications Using Large Vision Language Models
Diagrams are widely used to visualize data in publications. The research field of data visualization deals with defining principles and guidelines for the creation and use of these diagrams, which are often not known or adhered to by researchers, leading to misinformation caused by providing inaccurate or incomplete information. In this work, large Vision Language Models (VLMs) are used to analyze diagrams in order to identify potential problems in regards to selected data visualization principles and guidelines. To determine the suitability of VLMs for these tasks, five open source VLMs and five prompting strategies are compared using a set of questions derived from selected data visualization guidelines. The results show that the employed VLMs work well to accurately analyze diagram types (F1-score 82.49 %), 3D effects (F1-score 98.55 %), axes labels (F1-score 76.74 %), lines (RMSE 1.16), colors (RMSE 1.60) and legends (F1-score 96.64 %, RMSE 0.70), while they cannot reliably provide feedback about the image quality (F1-score 0.74 %) and tick marks/labels (F1-score 46.13 %). Among the employed VLMs, Qwen2.5VL performs best, and the summarizing prompting strategy performs best for most of the experimental questions. It is shown that VLMs can be used to automatically identify a number of potential issues in diagrams, such as missing axes labels, missing legends, and unnecessary 3D effects. The approach laid out in this work can be extended for further aspects of data visualization.
comment: Accepted at ICDAR 2025
☆ KnowRL: Exploring Knowledgeable Reinforcement Learning for Factuality
Large Language Models (LLMs), particularly slow-thinking models, often exhibit severe hallucination, outputting incorrect content due to an inability to accurately recognize knowledge boundaries during reasoning. While Reinforcement Learning (RL) can enhance complex reasoning abilities, its outcome-oriented reward mechanism often lacks factual supervision over the thinking process, further exacerbating the hallucination problem. To address the high hallucination in slow-thinking models, we propose Knowledge-enhanced RL, KnowRL. KnowRL guides models to perform fact-based slow thinking by integrating a factuality reward, based on knowledge verification, into the RL training process, helping them recognize their knowledge boundaries. KnowRL guides models to perform fact-based slow thinking by integrating a factuality reward, based on knowledge verification, into the RL training process, helping them recognize their knowledge boundaries. This targeted factual input during RL training enables the model to learn and internalize fact-based reasoning strategies. By directly rewarding adherence to facts within the reasoning steps, KnowRL fosters a more reliable thinking process. Experimental results on three hallucination evaluation datasets and two reasoning evaluation datasets demonstrate that KnowRL effectively mitigates hallucinations in slow-thinking models while maintaining their original strong reasoning capabilities. Our code is available at https://github.com/zjunlp/KnowRL.
comment: Work in progress
LLM-Based Social Simulations Require a Boundary
This position paper argues that large language model (LLM)-based social simulations should establish clear boundaries to meaningfully contribute to social science research. While LLMs offer promising capabilities for modeling human-like agents compared to traditional agent-based modeling, they face fundamental limitations that constrain their reliability for social pattern discovery. The core issue lies in LLMs' tendency towards an ``average persona'' that lacks sufficient behavioral heterogeneity, a critical requirement for simulating complex social dynamics. We examine three key boundary problems: alignment (simulated behaviors matching real-world patterns), consistency (maintaining coherent agent behavior over time), and robustness (reproducibility under varying conditions). We propose heuristic boundaries for determining when LLM-based simulations can reliably advance social science understanding. We believe that these simulations are more valuable when focusing on (1) collective patterns rather than individual trajectories, (2) agent behaviors aligning with real population averages despite limited variance, and (3) proper validation methods available for testing simulation robustness. We provide a practical checklist to guide researchers in determining the appropriate scope and claims for LLM-based social simulations.
☆ Why Do Open-Source LLMs Struggle with Data Analysis? A Systematic Empirical Study
Large Language Models (LLMs) hold promise in automating data analysis tasks, yet open-source models face significant limitations in these kinds of reasoning-intensive scenarios. In this work, we investigate strategies to enhance the data analysis capabilities of open-source LLMs. By curating a seed dataset of diverse, realistic scenarios, we evaluate models across three dimensions: data understanding, code generation, and strategic planning. Our analysis reveals three key findings: (1) Strategic planning quality serves as the primary determinant of model performance; (2) Interaction design and task complexity significantly influence reasoning capabilities; (3) Data quality demonstrates a greater impact than diversity in achieving optimal performance. We leverage these insights to develop a data synthesis methodology, demonstrating significant improvements in open-source LLMs' analytical reasoning capabilities.
comment: Work in progress
☆ Kling-Foley: Multimodal Diffusion Transformer for High-Quality Video-to-Audio Generation
We propose Kling-Foley, a large-scale multimodal Video-to-Audio generation model that synthesizes high-quality audio synchronized with video content. In Kling-Foley, we introduce multimodal diffusion transformers to model the interactions between video, audio, and text modalities, and combine it with a visual semantic representation module and an audio-visual synchronization module to enhance alignment capabilities. Specifically, these modules align video conditions with latent audio elements at the frame level, thereby improving semantic alignment and audio-visual synchronization. Together with text conditions, this integrated approach enables precise generation of video-matching sound effects. In addition, we propose a universal latent audio codec that can achieve high-quality modeling in various scenarios such as sound effects, speech, singing, and music. We employ a stereo rendering method that imbues synthesized audio with a spatial presence. At the same time, in order to make up for the incomplete types and annotations of the open-source benchmark, we also open-source an industrial-level benchmark Kling-Audio-Eval. Our experiments show that Kling-Foley trained with the flow matching objective achieves new audio-visual SOTA performance among public models in terms of distribution matching, semantic alignment, temporal alignment and audio quality.
☆ SRFT: A Single-Stage Method with Supervised and Reinforcement Fine-Tuning for Reasoning
Large language models (LLMs) have achieved remarkable progress in reasoning tasks, yet the optimal integration of Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) remains a fundamental challenge. Through comprehensive analysis of token distributions, learning dynamics, and integration mechanisms from entropy-based perspectives, we reveal key differences between these paradigms: SFT induces coarse-grained global changes to LLM policy distributions, while RL performs fine-grained selective optimizations, with entropy serving as a critical indicator of training effectiveness. Building on these observations, we propose Supervised Reinforcement Fine-Tuning (SRFT), a single-stage method that unifies both fine-tuning paradigms through entropy-aware weighting mechanisms. Our approach simultaneously applies SFT and RL to directly optimize the LLM using demonstrations and self-exploration rollouts rather than through two-stage sequential methods. Extensive experiments show that SRFT achieves 59.1% average accuracy, outperforming zero-RL methods by 9.0% on five mathematical reasoning benchmarks and 10.9% on three out-of-distribution benchmarks.
☆ Accurate, fast, cheap: Choose three. Replacing Multi-Head-Attention with Bidirectional Recurrent Attention for Long-Form ASR
Long-form speech recognition is an application area of increasing research focus. ASR models based on multi-head attention (MHA) are ill-suited to long-form ASR because of their quadratic complexity in sequence length. We build on recent work that has investigated linear complexity recurrent attention (RA) layers for ASR. We find that bidirectional RA layers can match the accuracy of MHA for both short- and long-form applications. We present a strong limited-context attention (LCA) baseline, and show that RA layers are just as accurate while being more efficient. We develop a long-form training paradigm which further improves RA performance, leading to better accuracy than LCA with 44% higher throughput. We also present Direction Dropout, a novel regularization method that improves accuracy, provides fine-grained control of the accuracy/throughput trade-off of bidirectional RA, and enables a new alternating directions decoding mode with even higher throughput.
comment: Accepted to Interspeech 2025
☆ Arabic Dialect Classification using RNNs, Transformers, and Large Language Models: A Comparative Analysis
The Arabic language is among the most popular languages in the world with a huge variety of dialects spoken in 22 countries. In this study, we address the problem of classifying 18 Arabic dialects of the QADI dataset of Arabic tweets. RNN models, Transformer models, and large language models (LLMs) via prompt engineering are created and tested. Among these, MARBERTv2 performed best with 65% accuracy and 64% F1-score. Through the use of state-of-the-art preprocessing techniques and the latest NLP models, this paper identifies the most significant linguistic issues in Arabic dialect identification. The results corroborate applications like personalized chatbots that respond in users' dialects, social media monitoring, and greater accessibility for Arabic communities.
☆ Evaluating Rare Disease Diagnostic Performance in Symptom Checkers: A Synthetic Vignette Simulation Approach
Background: Symptom Checkers (SCs) provide users with personalized medical information. To prevent performance degradation from algorithm updates, SC developers must evaluate diagnostic performance changes for individual diseases before deployment. However, acquiring sufficient evaluation data for rare diseases is difficult, and manually creating numerous clinical vignettes is costly and impractical. Objective: This study proposes and validates a novel Synthetic Vignette Simulation Approach to evaluate diagnostic performance changes for individual rare diseases following SC algorithm updates. Methods: We used disease-phenotype annotations from the Human Phenotype Ontology (HPO), a knowledge database for rare diseases, to generate synthetic vignettes. With these, we simulated SC interviews to estimate the impact of algorithm updates on real-world diagnostic performance. The method's effectiveness was evaluated retrospectively by comparing estimated values with actual metric changes using the R 2(R-squared) coefficient. Results: The experiment included eight past SC algorithm updates. For updates on diseases with frequency information in HPO (n=5), the R^2 for recall@8 change was 0.831 (p=0.031), and for precision@8 change, it was 0.78 (p=0.047), indicating the method can predict post-deployment performance. In contrast, large prediction errors occurred for diseases without frequency information (n=3), highlighting its importance. The manual effort to map HPO phenotypes to SC symptoms was approximately 2 hours per disease. Conclusions: Our method enables pre-deployment evaluation of SC algorithm changes for individual rare diseases using a publicly available, expert-created knowledge base. This transparent and low-cost approach allows developers to efficiently improve diagnostic performance for rare diseases, potentially enhancing support for early diagnosis.
☆ NEAR$^2$: A Nested Embedding Approach to Efficient Product Retrieval and Ranking
E-commerce information retrieval (IR) systems struggle to simultaneously achieve high accuracy in interpreting complex user queries and maintain efficient processing of vast product catalogs. The dual challenge lies in precisely matching user intent with relevant products while managing the computational demands of real-time search across massive inventories. In this paper, we propose a Nested Embedding Approach to product Retrieval and Ranking, called NEAR$^2$, which can achieve up to $12$ times efficiency in embedding size at inference time while introducing no extra cost in training and improving performance in accuracy for various encoder-based Transformer models. We validate our approach using different loss functions for the retrieval and ranking task, including multiple negative ranking loss and online contrastive loss, on four different test sets with various IR challenges such as short and implicit queries. Our approach achieves an improved performance over a smaller embedding dimension, compared to any existing models.
comment: This paper is accepted to the 2025 SIGIR Workshop on eCommerce
☆ Breaking Barriers: Do Reinforcement Post Training Gains Transfer To Unseen Domains?
Reinforcement post training (RPT) has recently shown promise in improving the reasoning abilities of large language models (LLMs). However, it remains unclear how well these improvements generalize to new domains, as prior work evaluates RPT models on data from the same domains used for fine-tuning. To understand the generalizability of RPT, we conduct two studies. (1) Observational: We compare a wide range of open-weight RPT models against their corresponding base models across multiple domains, including both seen and unseen domains in their fine-tuning data. (2) Interventional: we fine-tune LLMs with RPT on single domains and evaluate their performance across multiple domains. Both studies converge on the same conclusion that, although RPT brings substantial gains on tasks similar to the fine-tuning data, the gains generalize inconsistently and can vanish on domains with different reasoning patterns.
comment: 9 pages, 4 figures, 2 tables
☆ Outlier-Safe Pre-Training for Robust 4-Bit Quantization of Large Language Models
Extreme activation outliers in Large Language Models (LLMs) critically degrade quantization performance, hindering efficient on-device deployment. While channel-wise operations and adaptive gradient scaling are recognized causes, practical mitigation remains challenging. We introduce Outlier-Safe Pre-Training (OSP), a practical guideline that proactively prevents outlier formation rather than relying on post-hoc mitigation. OSP combines three key innovations: (1) the Muon optimizer, eliminating privileged bases while maintaining training efficiency; (2) Single-Scale RMSNorm, preventing channel-wise amplification; and (3) a learnable embedding projection, redistributing activation magnitudes originating from embedding matrices. We validate OSP by training a 1.4B-parameter model on 1 trillion tokens, which is the first production-scale LLM trained without such outliers. Under aggressive 4-bit quantization, our OSP model achieves a 35.7 average score across 10 benchmarks (compared to 26.5 for an Adam-trained model), with only a 2% training overhead. Remarkably, OSP models exhibit near-zero excess kurtosis (0.04) compared to extreme values (1818.56) in standard models, fundamentally altering LLM quantization behavior. Our work demonstrates that outliers are not inherent to LLMs but are consequences of training strategies, paving the way for more efficient LLM deployment. The source code and pretrained checkpoints are available at https://github.com/dmis-lab/Outlier-Safe-Pre-Training.
☆ Recurrent Visual Feature Extraction and Stereo Attentions for CT Report Generation
Generating reports for computed tomography (CT) images is a challenging task, while similar to existing studies for medical image report generation, yet has its unique characteristics, such as spatial encoding of multiple images, alignment between image volume and texts, etc. Existing solutions typically use general 2D or 3D image processing techniques to extract features from a CT volume, where they firstly compress the volume and then divide the compressed CT slices into patches for visual encoding. These approaches do not explicitly account for the transformations among CT slices, nor do they effectively integrate multi-level image features, particularly those containing specific organ lesions, to instruct CT report generation (CTRG). In considering the strong correlation among consecutive slices in CT scans, in this paper, we propose a large language model (LLM) based CTRG method with recurrent visual feature extraction and stereo attentions for hierarchical feature modeling. Specifically, we use a vision Transformer to recurrently process each slice in a CT volume, and employ a set of attentions over the encoded slices from different perspectives to selectively obtain important visual information and align them with textual features, so as to better instruct an LLM for CTRG. Experiment results and further analysis on the benchmark M3D-Cap dataset show that our method outperforms strong baseline models and achieves state-of-the-art results, demonstrating its validity and effectiveness.
comment: 7 pages, 3 figures
☆ Tailored Conversations beyond LLMs: A RL-Based Dialogue Manager
In this work, we propose a novel framework that integrates large language models (LLMs) with an RL-based dialogue manager for open-ended dialogue with a specific goal. By leveraging hierarchical reinforcement learning to model the structured phases of dialogue and employ meta-learning to enhance adaptability across diverse user profiles, our approach enhances adaptability and efficiency, enabling the system to learn from limited data, transition fluidly between dialogue phases, and personalize responses to heterogeneous patient needs. We apply our framework to Motivational Interviews, aiming to foster behavior change, and demonstrate that the proposed dialogue manager outperforms a state-of-the-art LLM baseline in terms of reward, showing a potential benefit of conditioning LLMs to create open-ended dialogue systems with specific goals.
☆ Correcting Hallucinations in News Summaries: Exploration of Self-Correcting LLM Methods with External Knowledge ACL 2025
While large language models (LLMs) have shown remarkable capabilities to generate coherent text, they suffer from the issue of hallucinations -- factually inaccurate statements. Among numerous approaches to tackle hallucinations, especially promising are the self-correcting methods. They leverage the multi-turn nature of LLMs to iteratively generate verification questions inquiring additional evidence, answer them with internal or external knowledge, and use that to refine the original response with the new corrections. These methods have been explored for encyclopedic generation, but less so for domains like news summarization. In this work, we investigate two state-of-the-art self-correcting systems by applying them to correct hallucinated summaries using evidence from three search engines. We analyze the results and provide insights into systems' performance, revealing interesting practical findings on the benefits of search engine snippets and few-shot prompts, as well as high alignment of G-Eval and human evaluation.
comment: Accepted to FEVER @ ACL 2025
☆ Social Hatred: Efficient Multimodal Detection of Hatemongers
Automatic detection of online hate speech serves as a crucial step in the detoxification of the online discourse. Moreover, accurate classification can promote a better understanding of the proliferation of hate as a social phenomenon. While most prior work focus on the detection of hateful utterances, we argue that focusing on the user level is as important, albeit challenging. In this paper we consider a multimodal aggregative approach for the detection of hate-mongers, taking into account the potentially hateful texts, user activity, and the user network. Evaluating our method on three unique datasets X (Twitter), Gab, and Parler we show that processing a user's texts in her social context significantly improves the detection of hate mongers, compared to previously used text and graph-based methods. We offer comprehensive set of results obtained in different experimental settings as well as qualitative analysis of illustrative cases. Our method can be used to improve the classification of coded messages, dog-whistling, and racial gas-lighting, as well as to inform intervention measures. Moreover, we demonstrate that our multimodal approach performs well across very different content platforms and over large datasets and networks.
comment: To be published in WOAH, July 2025. arXiv admin note: text overlap with arXiv:2409.14464
☆ ECCoT: A Framework for Enhancing Effective Cognition via Chain of Thought in Large Language Model
In the era of large-scale artificial intelligence, Large Language Models (LLMs) have made significant strides in natural language processing. However, they often lack transparency and generate unreliable outputs, raising concerns about their interpretability. To address this, the Chain of Thought (CoT) prompting method structures reasoning into step-by-step deductions. Yet, not all reasoning chains are valid, and errors can lead to unreliable conclusions. We propose ECCoT, an End-to-End Cognitive Chain of Thought Validation Framework, to evaluate and refine reasoning chains in LLMs. ECCoT integrates the Markov Random Field-Embedded Topic Model (MRF-ETM) for topic-aware CoT generation and Causal Sentence-BERT (CSBert) for causal reasoning alignment. By filtering ineffective chains using structured ordering statistics, ECCoT improves interpretability, reduces biases, and enhances the trustworthiness of LLM-based decision-making. Key contributions include the introduction of ECCoT, MRF-ETM for topic-driven CoT generation, and CSBert for causal reasoning enhancement. Code is released at: https://github.com/erwinmsmith/ECCoT.git.
☆ Fake or Real, Can Robots Tell? Evaluating Embodied Vision-Language Models on Real and 3D-Printed Objects
Robotic scene understanding increasingly relies on vision-language models (VLMs) to generate natural language descriptions of the environment. In this work, we present a comparative study of captioning strategies for tabletop scenes captured by a robotic arm equipped with an RGB camera. The robot collects images of objects from multiple viewpoints, and we evaluate several models that generate scene descriptions. We compare the performance of various captioning models, like BLIP and VLMs. Our experiments examine the trade-offs between single-view and multi-view captioning, and difference between recognising real-world and 3D printed objects. We quantitatively evaluate object identification accuracy, completeness, and naturalness of the generated captions. Results show that VLMs can be used in robotic settings where common objects need to be recognised, but fail to generalise to novel representations. Our findings provide practical insights into deploying foundation models for embodied agents in real-world settings.
☆ Has Machine Translation Evaluation Achieved Human Parity? The Human Reference and the Limits of Progress ACL 2025
In Machine Translation (MT) evaluation, metric performance is assessed based on agreement with human judgments. In recent years, automatic metrics have demonstrated increasingly high levels of agreement with humans. To gain a clearer understanding of metric performance and establish an upper bound, we incorporate human baselines in the MT meta-evaluation, that is, the assessment of MT metrics' capabilities. Our results show that human annotators are not consistently superior to automatic metrics, with state-of-the-art metrics often ranking on par with or higher than human baselines. Despite these findings suggesting human parity, we discuss several reasons for caution. Finally, we explore the broader implications of our results for the research field, asking: Can we still reliably measure improvements in MT evaluation? With this work, we aim to shed light on the limits of our ability to measure progress in the field, fostering discussion on an issue that we believe is crucial to the entire MT evaluation community.
comment: Accepted at ACL 2025 Main Conference. 24 pages
☆ RCStat: A Statistical Framework for using Relative Contextualization in Transformers
Prior work on input-token importance in auto-regressive transformers has relied on Softmax-normalized attention weights, which obscure the richer structure of pre-Softmax query-key logits. We introduce RCStat, a statistical framework that harnesses raw attention logits via Relative Contextualization (RC), a random variable measuring contextual alignment between token segments, and derive an efficient upper bound for RC. We demonstrate two applications: (i) Key-Value compression, where RC-based thresholds drive adaptive key-value eviction for substantial cache reduction with minimal quality loss; and (ii) Attribution, where RC yields higher-fidelity token-, sentence-, and chunk-level explanations than post-Softmax methods. Across question answering, summarization, and attribution benchmarks, RCStat achieves significant empirical gains, delivering state-of-the-art compression and attribution performance without any model retraining.
☆ Health Sentinel: An AI Pipeline For Real-time Disease Outbreak Detection
Early detection of disease outbreaks is crucial to ensure timely intervention by the health authorities. Due to the challenges associated with traditional indicator-based surveillance, monitoring informal sources such as online media has become increasingly popular. However, owing to the number of online articles getting published everyday, manual screening of the articles is impractical. To address this, we propose Health Sentinel. It is a multi-stage information extraction pipeline that uses a combination of ML and non-ML methods to extract events-structured information concerning disease outbreaks or other unusual health events-from online articles. The extracted events are made available to the Media Scanning and Verification Cell (MSVC) at the National Centre for Disease Control (NCDC), Delhi for analysis, interpretation and further dissemination to local agencies for timely intervention. From April 2022 till date, Health Sentinel has processed over 300 million news articles and identified over 95,000 unique health events across India of which over 3,500 events were shortlisted by the public health experts at NCDC as potential outbreaks.
☆ KnowMap: Efficient Knowledge-Driven Task Adaptation for LLMs
While Large Language Models (LLMs) possess significant capabilities in open-world agent tasks, they also face challenges in rapidly adapting to new, specialized tasks due to their reliance on static pre-trained knowledge. Traditional methods such as fine-tuning are often costly, data-intensive, and may lead to "catastrophic forgetting." Therefore, we present KnowMap, a novel approach that dynamically constructs a knowledge base from environmental and experiential data. KnowMap fine-tunes a small knowledge-embedding model to equip a larger LLM with valuable task-specific knowledge. Our experiments on the ScienceWorld benchmark demonstrate 17.71% improvement for the performance of gpt-4-turbo model. KnowMap not only provides an efficient and effective means for LLM task-adapting, but also highlights how integrating environmental and experiential knowledge can enhance LLMs' reasoning capabilities.
☆ Automatic Posology Structuration : What role for LLMs?
Automatically structuring posology instructions is essential for improving medication safety and enabling clinical decision support. In French prescriptions, these instructions are often ambiguous, irregular, or colloquial, limiting the effectiveness of classic ML pipelines. We explore the use of Large Language Models (LLMs) to convert free-text posologies into structured formats, comparing prompt-based methods and fine-tuning against a "pre-LLM" system based on Named Entity Recognition and Linking (NERL). Our results show that while prompting improves performance, only fine-tuned LLMs match the accuracy of the baseline. Through error analysis, we observe complementary strengths: NERL offers structural precision, while LLMs better handle semantic nuances. Based on this, we propose a hybrid pipeline that routes low-confidence cases from NERL (<0.8) to the LLM, selecting outputs based on confidence scores. This strategy achieves 91% structuration accuracy while minimizing latency and compute. Our results show that this hybrid approach improves structuration accuracy while limiting computational cost, offering a scalable solution for real-world clinical use.
☆ heiDS at ArchEHR-QA 2025: From Fixed-k to Query-dependent-k for Retrieval Augmented Generation ACL 2025
This paper presents the approach of our team called heiDS for the ArchEHR-QA 2025 shared task. A pipeline using a retrieval augmented generation (RAG) framework is designed to generate answers that are attributed to clinical evidence from the electronic health records (EHRs) of patients in response to patient-specific questions. We explored various components of a RAG framework, focusing on ranked list truncation (RLT) retrieval strategies and attribution approaches. Instead of using a fixed top-k RLT retrieval strategy, we employ a query-dependent-k retrieval strategy, including the existing surprise and autocut methods and two new methods proposed in this work, autocut* and elbow. The experimental results show the benefits of our strategy in producing factual and relevant answers when compared to a fixed-$k$.
comment: 12 pages, 2 figures, 6 tables, Workshop on BioNLP and Shared Tasks at ACL 2025
☆ AnTKV: Anchor Token-Aware Sub-Bit Vector Quantization for KV Cache in Large Language Models
Quantization has emerged as an effective and lightweight solution to reduce the memory footprint of the KV cache in Large Language Models (LLMs). Nevertheless, minimizing the performance degradation caused by ultra-low-bit KV cache quantization remains a significant challenge. We observe that quantizing the KV cache of different tokens has varying impacts on the quality of attention outputs. To systematically investigate this phenomenon, we perform forward error propagation analysis on attention and propose the Anchor Score (AnS) that quantifies the sensitivity of each token's KV cache to quantization-induced error. Our analysis reveals significant disparities in AnS across tokens, suggesting that preserving a small subset with full precision (FP16) of high-AnS tokens can greatly mitigate accuracy loss in aggressive quantization scenarios. Based on this insight, we introduce AnTKV, a novel framework that leverages Anchor Token-aware Vector Quantization to compress the KV cache. Furthermore, to support efficient deployment, we design and develop a triton kernel that is fully compatible with FlashAttention, enabling fast online Anchor Token selection. AnTKV enables LLaMA-3-8B to handle context lengths up to 840K tokens on a single 80GB A100 GPU, while achieving up to 3.5x higher decoding throughput compared to the FP16 baseline. Our experiment results demonstrate that AnTKV matches or outperforms prior works such as KIVI, SKVQ, KVQuant, and CQ under 4-bit settings. More importantly, AnTKV achieves significantly lower perplexity under ultra-low-bit quantization on Mistral-7B, with only 6.32 at 1-bit and 8.87 at 0.375-bit, compared to the FP16 baseline of 4.73.
☆ NaviAgent: Bilevel Planning on Tool Dependency Graphs for Function Calling
LLMs' reliance on static knowledge and fragile tool invocation severely hinders the orchestration of complex, heterogeneous toolchains, particularly at large scales. Existing methods typically use rigid single-path execution, resulting in poor error recovery and exponentially growing search spaces. We introduce NaviAgent, a graph-navigated bilevel planning architecture for robust function calling, comprising a Multi-Path Decider and Graph-Encoded Navigator. As an LLM-powered agent, the Multi-Path Decider defines a four-dimensional decision space and continuously perceives environmental states, dynamically selecting the optimal action to fully cover all tool invocation scenarios. The Graph-Encoded Navigator constructs a Tool Dependency Heterogeneous Graph (TDHG), where node embeddings explicitly fuse API schema structure with historical invocation behavior. It also integrates a novel heuristic search strategy that guides the Decider toward efficient and highly successful toolchains, even for unseen tool combinations. Experiments show that NaviAgent consistently achieves the highest task success rate (TSR) across all foundation models and task complexities, outperforming the average baselines (ReAct, ToolLLM, {\alpha}-UMI) by 13.5%, 16.4%, and 19.0% on Qwen2.5-14B, Qwen2.5-32B, and Deepseek-V3, respectively. Its execution steps are typically within one step of the most efficient baseline, ensuring a strong balance between quality and efficiency. Notably, a fine-tuned Qwen2.5-14B model achieves a TSR of 49.5%, surpassing the much larger 32B model (44.9%) under our architecture. Incorporating the Graph-Encoded Navigator further boosts TSR by an average of 2.4 points, with gains up over 9 points on complex tasks for larger models (Deepseek-V3 and GPT-4o), highlighting its essential role in toolchain orchestration.
☆ Is Long-to-Short a Free Lunch? Investigating Inconsistency and Reasoning Efficiency in LRMs
Large Reasoning Models (LRMs) have achieved remarkable performance on complex tasks by engaging in extended reasoning before producing final answers, yet this strength introduces the risk of overthinking, where excessive token generation occurs even for simple tasks. While recent work in efficient reasoning seeks to reduce reasoning length while preserving accuracy, it remains unclear whether such optimization is truly a free lunch. Drawing on the intuition that compressing reasoning may reduce the robustness of model responses and lead models to omit key reasoning steps, we investigate whether efficient reasoning strategies introduce behavioral inconsistencies. To systematically assess this, we introduce $ICBENCH$, a benchmark designed to measure inconsistency in LRMs across three dimensions: inconsistency across task settings (ITS), inconsistency between training objectives and learned behavior (TR-LB), and inconsistency between internal reasoning and self-explanations (IR-SE). Applying $ICBENCH$ to a range of open-source LRMs, we find that while larger models generally exhibit greater consistency than smaller ones, they all display widespread "scheming" behaviors, including self-disagreement, post-hoc rationalization, and the withholding of reasoning cues. Crucially, our results demonstrate that efficient reasoning strategies such as No-Thinking and Simple Token-Budget consistently increase all three defined types of inconsistency. These findings suggest that although efficient reasoning enhances token-level efficiency, further investigation is imperative to ascertain whether it concurrently introduces the risk of models evading effective supervision.
☆ Dialogic Pedagogy for Large Language Models: Aligning Conversational AI with Proven Theories of Learning
Large Language Models (LLMs) are rapidly transforming education by enabling rich conversational learning experiences. This article provides a comprehensive review of how LLM-based conversational agents are being used in higher education, with extensions to secondary and lifelong learning contexts. We synthesize existing literature on LLMs in education and theories of conversational and dialogic pedagogy - including Vygotsky's sociocultural learning (scaffolding and the Zone of Proximal Development), the Socratic method, and Laurillard's conversational framework - and examine how prompting strategies and retrieval-augmented generation (RAG) can align LLM behaviors with these pedagogical theories, and how it can support personalized, adaptive learning. We map educational theories to LLM capabilities, highlighting where LLM-driven dialogue supports established learning principles and where it challenges or falls short of traditional pedagogical assumptions. Notable gaps in applying prior theories to LLMs are identified, such as the models tendency to provide direct answers instead of fostering co-construction of knowledge, and the need to account for the constant availability and broad but non-human expertise of LLM tutors. In response, we propose practical strategies to better align LLM interactions with sound pedagogy - for example, designing prompts that encourage Socratic questioning, scaffolded guidance, and student reflection, as well as integrating retrieval mechanisms to ensure accuracy and contextual relevance. Our aim is to bridge the gap between educational theory and the emerging practice of AI-driven conversational learning, offering insights and tools for making LLM-based dialogues more educationally productive and theory-aligned.
☆ Commonsense Generation and Evaluation for Dialogue Systems using Large Language Models
This paper provides preliminary results on exploring the task of performing turn-level data augmentation for dialogue system based on different types of commonsense relationships, and the automatic evaluation of the generated synthetic turns. The proposed methodology takes advantage of the extended knowledge and zero-shot capabilities of pretrained Large Language Models (LLMs) to follow instructions, understand contextual information, and their commonsense reasoning capabilities. The approach draws inspiration from methodologies like Chain-of-Thought (CoT), applied more explicitly to the task of prompt-based generation for dialogue-based data augmentation conditioned on commonsense attributes, and the automatic evaluation of the generated dialogues. To assess the effectiveness of the proposed approach, first we extracted 200 randomly selected partial dialogues, from 5 different well-known dialogue datasets, and generate alternative responses conditioned on different event commonsense attributes. This novel dataset allows us to measure the proficiency of LLMs in generating contextually relevant commonsense knowledge, particularly up to 12 different specific ATOMIC [10] database relations. Secondly, we propose an evaluation framework to automatically detect the quality of the generated dataset inspired by the ACCENT [26] metric, which offers a nuanced approach to assess event commonsense. However, our method does not follow ACCENT's complex eventrelation tuple extraction process. Instead, we propose an instruction-based prompt for each commonsense attribute and use state-of-the-art LLMs to automatically detect the original attributes used when creating each augmented turn in the previous step. Preliminary results suggest that our approach effectively harnesses LLMs capabilities for commonsense reasoning and evaluation in dialogue systems.
☆ MuBench: Assessment of Multilingual Capabilities of Large Language Models Across 61 Languages
Multilingual large language models (LLMs) are advancing rapidly, with new models frequently claiming support for an increasing number of languages. However, existing evaluation datasets are limited and lack cross-lingual alignment, leaving assessments of multilingual capabilities fragmented in both language and skill coverage. To address this, we introduce MuBench, a benchmark covering 61 languages and evaluating a broad range of capabilities. We evaluate several state-of-the-art multilingual LLMs and find notable gaps between claimed and actual language coverage, particularly a persistent performance disparity between English and low-resource languages. Leveraging MuBench's alignment, we propose Multilingual Consistency (MLC) as a complementary metric to accuracy for analyzing performance bottlenecks and guiding model improvement. Finally, we pretrain a suite of 1.2B-parameter models on English and Chinese with 500B tokens, varying language ratios and parallel data proportions to investigate cross-lingual transfer dynamics.
☆ Can Large Language Models Capture Human Annotator Disagreements?
Human annotation variation (i.e., annotation disagreements) is common in NLP and often reflects important information such as task subjectivity and sample ambiguity. While Large Language Models (LLMs) are increasingly used for automatic annotation to reduce human effort, their evaluation often focuses on predicting the majority-voted "ground truth" labels. It is still unclear, however, whether these models also capture informative human annotation variation. Our work addresses this gap by extensively evaluating LLMs' ability to predict annotation disagreements without access to repeated human labels. Our results show that LLMs struggle with modeling disagreements, which can be overlooked by majority label-based evaluations. Notably, while RLVR-style (Reinforcement learning with verifiable rewards) reasoning generally boosts LLM performance, it degrades performance in disagreement prediction. Our findings highlight the critical need for evaluating and improving LLM annotators in disagreement modeling. Code and data at https://github.com/EdisonNi-hku/Disagreement_Prediction.
comment: Preprint Under Review
☆ TTSDS2: Resources and Benchmark for Evaluating Human-Quality Text to Speech Systems
Evaluation of Text to Speech (TTS) systems is challenging and resource-intensive. Subjective metrics such as Mean Opinion Score (MOS) are not easily comparable between works. Objective metrics are frequently used, but rarely validated against subjective ones. Both kinds of metrics are challenged by recent TTS systems capable of producing synthetic speech indistinguishable from real speech. In this work, we introduce Text to Speech Distribution Score 2 (TTSDS2), a more robust and improved version of TTSDS. Across a range of domains and languages, it is the only one out of 16 compared metrics to correlate with a Spearman correlation above 0.50 for every domain and subjective score evaluated. We also release a range of resources for evaluating synthetic speech close to real speech: A dataset with over 11,000 subjective opinion score ratings; a pipeline for continually recreating a multilingual test dataset to avoid data leakage; and a continually updated benchmark for TTS in 14 languages.
☆ Mem4Nav: Boosting Vision-and-Language Navigation in Urban Environments with a Hierarchical Spatial-Cognition Long-Short Memory System
Vision-and-Language Navigation (VLN) in large-scale urban environments requires embodied agents to ground linguistic instructions in complex scenes and recall relevant experiences over extended time horizons. Prior modular pipelines offer interpretability but lack unified memory, while end-to-end (M)LLM agents excel at fusing vision and language yet remain constrained by fixed context windows and implicit spatial reasoning. We introduce \textbf{Mem4Nav}, a hierarchical spatial-cognition long-short memory system that can augment any VLN backbone. Mem4Nav fuses a sparse octree for fine-grained voxel indexing with a semantic topology graph for high-level landmark connectivity, storing both in trainable memory tokens embedded via a reversible Transformer. Long-term memory (LTM) compresses and retains historical observations at both octree and graph nodes, while short-term memory (STM) caches recent multimodal entries in relative coordinates for real-time obstacle avoidance and local planning. At each step, STM retrieval sharply prunes dynamic context, and, when deeper history is needed, LTM tokens are decoded losslessly to reconstruct past embeddings. Evaluated on Touchdown and Map2Seq across three backbones (modular, state-of-the-art VLN with prompt-based LLM, and state-of-the-art VLN with strided-attention MLLM), Mem4Nav yields 7-13 pp gains in Task Completion, sufficient SPD reduction, and >10 pp nDTW improvement. Ablations confirm the indispensability of both the hierarchical map and dual memory modules. Our codes are open-sourced via https://github.com/tsinghua-fib-lab/Mem4Nav.
☆ Learning to Disentangle Latent Reasoning Rules with Language VAEs: A Systematic Study
Incorporating explicit reasoning rules within the latent space of language models (LMs) offers a promising pathway to enhance generalisation, interpretability, and controllability. While current Transformer-based language models have shown strong performance on Natural Language Inference (NLI) tasks, they often rely on memorisation rather than rule-based inference. This work investigates how reasoning rules can be explicitly embedded and memorised within the LMs through Language Variational Autoencoders (VAEs). We propose a complete pipeline for learning reasoning rules within Transformer-based language VAEs. This pipeline encompasses three rule-based reasoning tasks, a supporting theoretical framework, and a practical end-to-end architecture. The experiment illustrates the following findings: Disentangled reasoning: Under explicit signal supervision, reasoning rules - viewed as functional mappings - can be disentangled within the encoder's parametric space. This separation results in distinct clustering of rules in the output feature space. Prior knowledge injection: injecting reasoning information into the Query enables the model to more effectively retrieve the stored value Value from memory based on Key. This approach offers a simple method for integrating prior knowledge into decoder-only language models. Performance bottleneck: In mathematical reasoning tasks using Qwen2.5(0.5B), increasing sample count doesn't improve performance beyond a point. Moreover, ffn layers are better than attention layers at preserving the separation of reasoning rules in the model's parameters.
☆ Automated Detection of Pre-training Text in Black-box LLMs
Detecting whether a given text is a member of the pre-training data of Large Language Models (LLMs) is crucial for ensuring data privacy and copyright protection. Most existing methods rely on the LLM's hidden information (e.g., model parameters or token probabilities), making them ineffective in the black-box setting, where only input and output texts are accessible. Although some methods have been proposed for the black-box setting, they rely on massive manual efforts such as designing complicated questions or instructions. To address these issues, we propose VeilProbe, the first framework for automatically detecting LLMs' pre-training texts in a black-box setting without human intervention. VeilProbe utilizes a sequence-to-sequence mapping model to infer the latent mapping feature between the input text and the corresponding output suffix generated by the LLM. Then it performs the key token perturbations to obtain more distinguishable membership features. Additionally, considering real-world scenarios where the ground-truth training text samples are limited, a prototype-based membership classifier is introduced to alleviate the overfitting issue. Extensive evaluations on three widely used datasets demonstrate that our framework is effective and superior in the black-box setting.
comment: 13 pages
☆ Measuring and Guiding Monosemanticity
There is growing interest in leveraging mechanistic interpretability and controllability to better understand and influence the internal dynamics of large language models (LLMs). However, current methods face fundamental challenges in reliably localizing and manipulating feature representations. Sparse Autoencoders (SAEs) have recently emerged as a promising direction for feature extraction at scale, yet they, too, are limited by incomplete feature isolation and unreliable monosemanticity. To systematically quantify these limitations, we introduce Feature Monosemanticity Score (FMS), a novel metric to quantify feature monosemanticity in latent representation. Building on these insights, we propose Guided Sparse Autoencoders (G-SAE), a method that conditions latent representations on labeled concepts during training. We demonstrate that reliable localization and disentanglement of target concepts within the latent space improve interpretability, detection of behavior, and control. Specifically, our evaluations on toxicity detection, writing style identification, and privacy attribute recognition show that G-SAE not only enhances monosemanticity but also enables more effective and fine-grained steering with less quality degradation. Our findings provide actionable guidelines for measuring and advancing mechanistic interpretability and control of LLMs.
☆ Spotting Out-of-Character Behavior: Atomic-Level Evaluation of Persona Fidelity in Open-Ended Generation ACL 2025
Ensuring persona fidelity in large language models (LLMs) is essential for maintaining coherent and engaging human-AI interactions. However, LLMs often exhibit Out-of-Character (OOC) behavior, where generated responses deviate from an assigned persona, leading to inconsistencies that affect model reliability. Existing evaluation methods typically assign single scores to entire responses, struggling to capture subtle persona misalignment, particularly in long-form text generation. To address this limitation, we propose an atomic-level evaluation framework that quantifies persona fidelity at a finer granularity. Our three key metrics measure the degree of persona alignment and consistency within and across generations. Our approach enables a more precise and realistic assessment of persona fidelity by identifying subtle deviations that real users would encounter. Through our experiments, we demonstrate that our framework effectively detects persona inconsistencies that prior methods overlook. By analyzing persona fidelity across diverse tasks and personality types, we reveal how task structure and persona desirability influence model adaptability, highlighting challenges in maintaining consistent persona expression.
comment: Findings of ACL 2025; github repo: https://github.com/ddindidu/atomic-persona-evaluation/
☆ In-Context Occam's Razor: How Transformers Prefer Simpler Hypotheses on the Fly
In-context learning (ICL) enables transformers to adapt to new tasks through contextual examples without parameter updates. While existing research has typically studied ICL in fixed-complexity environments, practical language models encounter tasks spanning diverse complexity levels. This paper investigates how transformers navigate hierarchical task structures where higher-complexity categories can perfectly represent any pattern generated by simpler ones. We design well-controlled testbeds based on Markov chains and linear regression that reveal transformers not only identify the appropriate complexity level for each task but also accurately infer the corresponding parameters--even when the in-context examples are compatible with multiple complexity hypotheses. Notably, when presented with data generated by simpler processes, transformers consistently favor the least complex sufficient explanation. We theoretically explain this behavior through a Bayesian framework, demonstrating that transformers effectively implement an in-context Bayesian Occam's razor by balancing model fit against complexity penalties. We further ablate on the roles of model size, training mixture distribution, inference context length, and architecture. Finally, we validate this Occam's razor-like inductive bias on a pretrained GPT-4 model with Boolean-function tasks as case study, suggesting it may be inherent to transformers trained on diverse task distributions.
comment: 28 pages, 19 figures
☆ JCAPT: A Joint Modeling Approach for CAPT
Effective pronunciation feedback is critical in second language (L2) learning, for which computer-assisted pronunciation training (CAPT) systems often encompass two key tasks: automatic pronunciation assessment (APA) and mispronunciation detection and diagnosis (MDD). Recent work has shown that joint modeling of these two tasks can yield mutual benefits. Our unified framework leverages Mamba, a selective state space model (SSM), while integrating phonological features and think token strategies to jointly enhance interpretability and fine-grained temporal reasoning in APA and MDD. To our knowledge, this is the first study to combine phonological attribution, SSM-based modeling, and prompting in CAPT. A series of experiments conducted on the speechocean762 benchmark demonstrate that our model consistently outperforms prior methods, particularly on the MDD task.
comment: Submitted to the ISCA SLaTE-2025 Workshop
☆ Skywork-SWE: Unveiling Data Scaling Laws for Software Engineering in LLMs
Software engineering (SWE) has recently emerged as a crucial testbed for next-generation LLM agents, demanding inherent capabilities in two critical dimensions: sustained iterative problem-solving (e.g., >50 interaction rounds) and long-context dependency resolution (e.g., >32k tokens). However, the data curation process in SWE remains notoriously time-consuming, as it heavily relies on manual annotation for code file filtering and the setup of dedicated runtime environments to execute and validate unit tests. Consequently, most existing datasets are limited to only a few thousand GitHub-sourced instances. To this end, we propose an incremental, automated data-curation pipeline that systematically scales both the volume and diversity of SWE datasets. Our dataset comprises 10,169 real-world Python task instances from 2,531 distinct GitHub repositories, each accompanied by a task specified in natural language and a dedicated runtime-environment image for automated unit-test validation. We have carefully curated over 8,000 successfully runtime-validated training trajectories from our proposed SWE dataset. When fine-tuning the Skywork-SWE model on these trajectories, we uncover a striking data scaling phenomenon: the trained model's performance for software engineering capabilities in LLMs continues to improve as the data size increases, showing no signs of saturation. Notably, our Skywork-SWE model achieves 38.0% pass@1 accuracy on the SWE-bench Verified benchmark without using verifiers or multiple rollouts, establishing a new state-of-the-art (SOTA) among the Qwen2.5-Coder-32B-based LLMs built on the OpenHands agent framework. Furthermore, with the incorporation of test-time scaling techniques, the performance further improves to 47.0% accuracy, surpassing the previous SOTA results for sub-32B parameter models. We release the Skywork-SWE-32B model checkpoint to accelerate future research.
☆ EmoStage: A Framework for Accurate Empathetic Response Generation via Perspective-Taking and Phase Recognition
The rising demand for mental health care has fueled interest in AI-driven counseling systems. While large language models (LLMs) offer significant potential, current approaches face challenges, including limited understanding of clients' psychological states and counseling stages, reliance on high-quality training data, and privacy concerns associated with commercial deployment. To address these issues, we propose EmoStage, a framework that enhances empathetic response generation by leveraging the inference capabilities of open-source LLMs without additional training data. Our framework introduces perspective-taking to infer clients' psychological states and support needs, enabling the generation of emotionally resonant responses. In addition, phase recognition is incorporated to ensure alignment with the counseling process and to prevent contextually inappropriate or inopportune responses. Experiments conducted in both Japanese and Chinese counseling settings demonstrate that EmoStage improves the quality of responses generated by base models and performs competitively with data-driven methods.
☆ What Matters in LLM-generated Data: Diversity and Its Effect on Model Fine-Tuning
With the remarkable generative capabilities of large language models (LLMs), using LLM-generated data to train downstream models has emerged as a promising approach to mitigate data scarcity in specific domains and reduce time-consuming annotations. However, recent studies have highlighted a critical issue: iterative training on self-generated data results in model collapse, where model performance degrades over time. Despite extensive research on the implications of LLM-generated data, these works often neglect the importance of data diversity, a key factor in data quality. In this work, we aim to understand the implications of the diversity of LLM-generated data on downstream model performance. Specifically, we explore how varying levels of diversity in LLM-generated data affect downstream model performance. Additionally, we investigate the performance of models trained on data that mixes different proportions of LLM-generated data, which we refer to as synthetic data. Our experimental results show that, with minimal distribution shift, moderately diverse LLM-generated data can enhance model performance in scenarios with insufficient labeled data, whereas highly diverse generated data has a negative impact. We hope our empirical findings will offer valuable guidance for future studies on LLMs as data generators.
comment: Ongoing work
☆ Personality Prediction from Life Stories using Language Models
Natural Language Processing (NLP) offers new avenues for personality assessment by leveraging rich, open-ended text, moving beyond traditional questionnaires. In this study, we address the challenge of modeling long narrative interview where each exceeds 2000 tokens so as to predict Five-Factor Model (FFM) personality traits. We propose a two-step approach: first, we extract contextual embeddings using sliding-window fine-tuning of pretrained language models; then, we apply Recurrent Neural Networks (RNNs) with attention mechanisms to integrate long-range dependencies and enhance interpretability. This hybrid method effectively bridges the strengths of pretrained transformers and sequence modeling to handle long-context data. Through ablation studies and comparisons with state-of-the-art long-context models such as LLaMA and Longformer, we demonstrate improvements in prediction accuracy, efficiency, and interpretability. Our results highlight the potential of combining language-based features with long-context modeling to advance personality assessment from life narratives.
comment: 13 pages, 5 figures
☆ Augmenting Multi-Agent Communication with State Delta Trajectory
Multi-agent techniques such as role playing or multi-turn debates have been shown to be effective in improving the performance of large language models (LLMs) in downstream tasks. Despite their differences in workflows, existing LLM-based multi-agent systems mostly use natural language for agent communication. While this is appealing for its simplicity and interpretability, it also introduces inevitable information loss as one model must down sample its continuous state vectors to concrete tokens before transferring them to the other model. Such losses are particularly significant when the information to transfer is not simple facts, but reasoning logics or abstractive thoughts. To tackle this problem, we propose a new communication protocol that transfers both natural language tokens and token-wise state transition trajectory from one agent to another. Particularly, compared to the actual state value, we find that the sequence of state changes in LLMs after generating each token can better reflect the information hidden behind the inference process, so we propose a State Delta Encoding (SDE) method to represent state transition trajectories. The experimental results show that multi-agent systems with SDE achieve SOTA performance compared to other communication protocols, particularly in tasks that involve complex reasoning. This shows the potential of communication augmentation for LLM-based multi-agent systems.
comment: 22 pages, 5 figures
☆ Persona-Assigned Large Language Models Exhibit Human-Like Motivated Reasoning
Reasoning in humans is prone to biases due to underlying motivations like identity protection, that undermine rational decision-making and judgment. This motivated reasoning at a collective level can be detrimental to society when debating critical issues such as human-driven climate change or vaccine safety, and can further aggravate political polarization. Prior studies have reported that large language models (LLMs) are also susceptible to human-like cognitive biases, however, the extent to which LLMs selectively reason toward identity-congruent conclusions remains largely unexplored. Here, we investigate whether assigning 8 personas across 4 political and socio-demographic attributes induces motivated reasoning in LLMs. Testing 8 LLMs (open source and proprietary) across two reasoning tasks from human-subject studies -- veracity discernment of misinformation headlines and evaluation of numeric scientific evidence -- we find that persona-assigned LLMs have up to 9% reduced veracity discernment relative to models without personas. Political personas specifically, are up to 90% more likely to correctly evaluate scientific evidence on gun control when the ground truth is congruent with their induced political identity. Prompt-based debiasing methods are largely ineffective at mitigating these effects. Taken together, our empirical findings are the first to suggest that persona-assigned LLMs exhibit human-like motivated reasoning that is hard to mitigate through conventional debiasing prompts -- raising concerns of exacerbating identity-congruent reasoning in both LLMs and humans.
☆ Accurate and Energy Efficient: Local Retrieval-Augmented Generation Models Outperform Commercial Large Language Models in Medical Tasks
Background The increasing adoption of Artificial Intelligence (AI) in healthcare has sparked growing concerns about its environmental and ethical implications. Commercial Large Language Models (LLMs), such as ChatGPT and DeepSeek, require substantial resources, while the utilization of these systems for medical purposes raises critical issues regarding patient privacy and safety. Methods We developed a customizable Retrieval-Augmented Generation (RAG) framework for medical tasks, which monitors its energy usage and CO2 emissions. This system was then used to create RAGs based on various open-source LLMs. The tested models included both general purpose models like llama3.1:8b and medgemma-4b-it, which is medical-domain specific. The best RAGs performance and energy consumption was compared to DeepSeekV3-R1 and OpenAIs o4-mini model. A dataset of medical questions was used for the evaluation. Results Custom RAG models outperformed commercial models in accuracy and energy consumption. The RAG model built on llama3.1:8B achieved the highest accuracy (58.5%) and was significantly better than other models, including o4-mini and DeepSeekV3-R1. The llama3.1-RAG also exhibited the lowest energy consumption and CO2 footprint among all models, with a Performance per kWh of 0.52 and a total CO2 emission of 473g. Compared to o4-mini, the llama3.1-RAG achieved 2.7x times more accuracy points per kWh and 172% less electricity usage while maintaining higher accuracy. Conclusion Our study demonstrates that local LLMs can be leveraged to develop RAGs that outperform commercial, online LLMs in medical tasks, while having a smaller environmental impact. Our modular framework promotes sustainable AI development, reducing electricity usage and aligning with the UNs Sustainable Development Goals.
comment: 18 pages, 3 Figures
☆ A Spatio-Temporal Point Process for Fine-Grained Modeling of Reading Behavior ACL 2025
Reading is a process that unfolds across space and time, alternating between fixations where a reader focuses on a specific point in space, and saccades where a reader rapidly shifts their focus to a new point. An ansatz of psycholinguistics is that modeling a reader's fixations and saccades yields insight into their online sentence processing. However, standard approaches to such modeling rely on aggregated eye-tracking measurements and models that impose strong assumptions, ignoring much of the spatio-temporal dynamics that occur during reading. In this paper, we propose a more general probabilistic model of reading behavior, based on a marked spatio-temporal point process, that captures not only how long fixations last, but also where they land in space and when they take place in time. The saccades are modeled using a Hawkes process, which captures how each fixation excites the probability of a new fixation occurring near it in time and space. The duration time of fixation events is modeled as a function of fixation-specific predictors convolved across time, thus capturing spillover effects. Empirically, our Hawkes process model exhibits a better fit to human saccades than baselines. With respect to fixation durations, we observe that incorporating contextual surprisal as a predictor results in only a marginal improvement in the model's predictive accuracy. This finding suggests that surprisal theory struggles to explain fine-grained eye movements.
comment: ACL 2025
☆ Doc2Agent: Scalable Generation of Tool-Using Agents from API Documentation
REST APIs play important roles in enriching the action space of web agents, yet most API-based agents rely on curated and uniform toolsets that do not reflect the complexity of real-world APIs. Building tool-using agents for arbitrary domains remains a major challenge, as it requires reading unstructured API documentation, testing APIs and inferring correct parameters. We propose Doc2Agent, a scalable pipeline to build agents that can call Python-based tools generated from API documentation. Doc2Agent generates executable tools from API documentations and iteratively refines them using a code agent. We evaluate our approach on real-world APIs, WebArena APIs, and research APIs, producing validated tools. We achieved a 55\% relative performance improvement with 90\% lower cost compared to direct API calling on WebArena benchmark. A domain-specific agent built for glycomaterial science further demonstrates the pipeline's adaptability to complex, knowledge-rich tasks. Doc2Agent offers a generalizable solution for building tool agents from unstructured API documentation at scale.
☆ Inference Scaled GraphRAG: Improving Multi Hop Question Answering on Knowledge Graphs
Large Language Models (LLMs) have achieved impressive capabilities in language understanding and generation, yet they continue to underperform on knowledge-intensive reasoning tasks due to limited access to structured context and multi-hop information. Retrieval-Augmented Generation (RAG) partially mitigates this by grounding generation in retrieved context, but conventional RAG and GraphRAG methods often fail to capture relational structure across nodes in knowledge graphs. We introduce Inference-Scaled GraphRAG, a novel framework that enhances LLM-based graph reasoning by applying inference-time compute scaling. Our method combines sequential scaling with deep chain-of-thought graph traversal, and parallel scaling with majority voting over sampled trajectories within an interleaved reasoning-execution loop. Experiments on the GRBench benchmark demonstrate that our approach significantly improves multi-hop question answering performance, achieving substantial gains over both traditional GraphRAG and prior graph traversal baselines. These findings suggest that inference-time scaling is a practical and architecture-agnostic solution for structured knowledge reasoning with LLMs
☆ CycleDistill: Bootstrapping Machine Translation using LLMs with Cyclical Distillation
Large language models (LLMs), despite their ability to perform few-shot machine translation (MT), often lag behind dedicated MT systems trained on parallel corpora, which are crucial for high quality machine translation (MT). However, parallel corpora are often scarce or non-existent for low-resource languages. In this paper, we propose CycleDistill, a bootstrapping approach leveraging LLMs and few-shot translation to obtain high-quality MT systems. CycleDistill involves iteratively generating synthetic parallel corpora from monolingual corpora via zero- or few-shot MT, which is then used to fine-tune the model that was used for generating said data for MT. CycleDistill does not need parallel corpora beyond 1 to 4 few-shot examples, and in our experiments focusing on three Indian languages, by relying solely on monolingual corpora, it can achieve high-quality machine translation, improving upon a few-shot baseline model by over 20-30 chrF points on average in the first iteration. We also study the effect of leveraging softmax activations during the distillation process and observe mild improvements in translation quality.
♻ ☆ Entropy and type-token ratio in gigaword corpora
There are different ways of measuring diversity in complex systems. In particular, in language, lexical diversity is characterized in terms of the type-token ratio and the word entropy. We here investigate both diversity metrics in six massive linguistic datasets in English, Spanish, and Turkish, consisting of books, news articles, and tweets. These gigaword corpora correspond to languages with distinct morphological features and differ in registers and genres, thus constituting a varied testbed for a quantitative approach to lexical diversity. We unveil an empirical functional relation between entropy and type-token ratio of texts of a given corpus and language, which is a consequence of the statistical laws observed in natural language. Further, in the limit of large text lengths we find an analytical expression for this relation relying on both Zipf and Heaps laws that agrees with our empirical findings.
comment: 15 pages, 10 figures, 8 tables
♻ ☆ Words as Trigger Points in Social Media Discussions: A Large-Scale Case Study about UK Politics on Reddit
Political debates on social media sometimes flare up. From that moment on, users engage much more with one another; their communication is also more emotional and polarised. While it has been difficult to grasp such moments with computational methods, we suggest that trigger points are a useful concept to understand and ultimately model such behaviour. Established in qualitative focus group interviews to understand political polarisation (Mau, Lux, and Westheuser 2023), trigger points represent moments when individuals feel that their understanding of what is fair, normal, or appropriate in society is questioned. In the original studies, individuals show strong and negative emotional responses when certain triggering words or topics are mentioned. Our paper finds that these trigger points also exist in online debates. We examine online deliberations on Reddit between 2020 and 2022 and collect >100 million comments from subreddits related to a set of words identified as trigger points in UK politics. Analysing the comments, we find that trigger words increase user engagement and animosity, i.e., more negativity, hate speech, and controversial comments. Introducing trigger points to computational studies of online communication, our findings are relevant to researchers interested in affective computing, online deliberation, and how citizens debate politics and society in light of affective polarisation.
♻ ☆ A Foundational individual Mobility Prediction Model based on Open-Source Large Language Models
Large Language Models (LLMs) are widely applied to domain-specific tasks due to their massive general knowledge and remarkable inference capacities. Current studies on LLMs have shown immense potential in applying LLMs to model individual mobility prediction problems. However, most LLM-based mobility prediction models only train on specific datasets or use single well-designed prompts, leading to difficulty in adapting to different cities and users with diverse contexts. To fill these gaps, this paper proposes a unified fine-tuning framework to train a foundational open source LLM-based mobility prediction model. We conducted extensive experiments on six real-world mobility datasets to validate the proposed model. The results showed that the proposed model achieved the best performance in prediction accuracy and transferability over state-of-the-art models based on deep learning and LLMs.
♻ ☆ Large language models for automated scholarly paper review: A survey
Large language models (LLMs) have significantly impacted human society, influencing various domains. Among them, academia is not simply a domain affected by LLMs, but it is also the pivotal force in the development of LLMs. In academic publication, this phenomenon is represented during the incorporation of LLMs into the peer review mechanism for reviewing manuscripts. LLMs hold transformative potential for the full-scale implementation of automated scholarly paper review (ASPR), but they also pose new issues and challenges that need to be addressed. In this survey paper, we aim to provide a holistic view of ASPR in the era of LLMs. We begin with a survey to find out which LLMs are used to conduct ASPR. Then, we review what ASPR-related technological bottlenecks have been solved with the incorporation of LLM technology. After that, we move on to explore new methods, new datasets, new source code, and new online systems that come with LLMs for ASPR. Furthermore, we summarize the performance and issues of LLMs in ASPR, and investigate the attitudes and reactions of publishers and academia to ASPR. Lastly, we discuss the challenges and future directions associated with the development of LLMs for ASPR. This survey serves as an inspirational reference for the researchers and can promote the progress of ASPR for its actual implementation.
comment: Please cite the version of Information Fusion
♻ ☆ Sensitive Content Classification in Social Media: A Holistic Resource and Evaluation
The detection of sensitive content in large datasets is crucial for ensuring that shared and analysed data is free from harmful material. However, current moderation tools, such as external APIs, suffer from limitations in customisation, accuracy across diverse sensitive categories, and privacy concerns. Additionally, existing datasets and open-source models focus predominantly on toxic language, leaving gaps in detecting other sensitive categories such as substance abuse or self-harm. In this paper, we put forward a unified dataset tailored for social media content moderation across six sensitive categories: conflictual language, profanity, sexually explicit material, drug-related content, self-harm, and spam. By collecting and annotating data with consistent retrieval strategies and guidelines, we address the shortcomings of previous focalised research. Our analysis demonstrates that fine-tuning large language models (LLMs) on this novel dataset yields significant improvements in detection performance compared to open off-the-shelf models such as LLaMA, and even proprietary OpenAI models, which underperform by 10-15% overall. This limitation is even more pronounced on popular moderation APIs, which cannot be easily tailored to specific sensitive content categories, among others.
comment: Accepted at the 9th Workshop on Online Abuse and Harms (WOAH)
♻ ☆ "I know myself better, but not really greatly": How Well Can LLMs Detect and Explain LLM-Generated Texts?
Distinguishing between human- and LLM-generated texts is crucial given the risks associated with misuse of LLMs. This paper investigates detection and explanation capabilities of current LLMs across two settings: binary (human vs. LLM-generated) and ternary classification (including an ``undecided'' class). We evaluate 6 close- and open-source LLMs of varying sizes and find that self-detection (LLMs identifying their own outputs) consistently outperforms cross-detection (identifying outputs from other LLMs), though both remain suboptimal. Introducing a ternary classification framework improves both detection accuracy and explanation quality across all models. Through comprehensive quantitative and qualitative analyses using our human-annotated dataset, we identify key explanation failures, primarily reliance on inaccurate features, hallucinations, and flawed reasoning. Our findings underscore the limitations of current LLMs in self-detection and self-explanation, highlighting the need for further research to address overfitting and enhance generalizability.
comment: Under review
♻ ☆ jina-embeddings-v4: Universal Embeddings for Multimodal Multilingual Retrieval
We introduce jina-embeddings-v4, a 3.8 billion parameter multimodal embedding model that unifies text and image representations through a novel architecture supporting both single-vector and multi-vector embeddings in the late interaction style. The model incorporates task-specific Low-Rank Adaptation (LoRA) adapters to optimize performance across diverse retrieval scenarios, including query-document retrieval, semantic text similarity, and code search. Comprehensive evaluations demonstrate that jina-embeddings-v4 achieves state-of-the-art performance on both single-modal and cross-modal retrieval tasks, with particular strength in processing visually rich content such as tables, charts, diagrams, and mixed-media formats. To facilitate evaluation of this capability, we also introduce Jina-VDR, a novel benchmark specifically designed for visually rich image retrieval.
comment: 22 pages, 1-10 main, 14-22 experimental results, benchmark tables
♻ ☆ Detecting Machine-Generated Texts: Not Just "AI vs Humans" and Explainability is Complicated
As LLMs rapidly advance, increasing concerns arise regarding risks about actual authorship of texts we see online and in real world. The task of distinguishing LLM-authored texts is complicated by the nuanced and overlapping behaviors of both machines and humans. In this paper, we challenge the current practice of considering LLM-generated text detection a binary classification task of differentiating human from AI. Instead, we introduce a novel ternary text classification scheme, adding an "undecided" category for texts that could be attributed to either source, and we show that this new category is crucial to understand how to make the detection result more explainable to lay users. This research shifts the paradigm from merely classifying to explaining machine-generated texts, emphasizing need for detectors to provide clear and understandable explanations to users. Our study involves creating four new datasets comprised of texts from various LLMs and human authors. Based on new datasets, we performed binary classification tests to ascertain the most effective SOTA detection methods and identified SOTA LLMs capable of producing harder-to-detect texts. We constructed a new dataset of texts generated by two top-performing LLMs and human authors, and asked three human annotators to produce ternary labels with explanation notes. This dataset was used to investigate how three top-performing SOTA detectors behave in new ternary classification context. Our results highlight why "undecided" category is much needed from the viewpoint of explainability. Additionally, we conducted an analysis of explainability of the three best-performing detectors and the explanation notes of the human annotators, revealing insights about the complexity of explainable detection of machine-generated texts. Finally, we propose guidelines for developing future detection systems with improved explanatory power.
comment: 19 pages, 2 figures
♻ ☆ Local Look-Ahead Guidance via Verifier-in-the-Loop for Automated Theorem Proving ACL 2025
The most promising recent methods for AI reasoning require applying variants of reinforcement learning (RL) either on rolled out trajectories from the LLMs, even for the step-wise rewards, or large quantities of human-annotated trajectory data. The reliance on the rolled-out trajectory renders the compute cost and time prohibitively high. In particular, the correctness of a reasoning trajectory can typically only be judged at its completion, leading to sparse rewards in RL or requiring expensive synthetic data generation in expert iteration-like methods. In this work, we focus on the Automatic Theorem Proving (ATP) task and propose a novel verifier-in-the-loop design, which, unlike existing approaches that leverage feedback on the entire reasoning trajectory, employs an automated verifier to give intermediate feedback at each step of the reasoning process. Using Lean as the verifier, we empirically show that the step-by-step local verification produces a global improvement in the model's reasoning accuracy and efficiency.
comment: Accepted at the Findings of ACL 2025, Accepted at ICLR 2025 Workshop on Reasoning and Planning for Large Language Models
♻ ☆ Language Model Re-rankers are Fooled by Lexical Similarities
Language model (LM) re-rankers are used to refine retrieval results for retrieval-augmented generation (RAG). They are more expensive than lexical matching methods like BM25 but assumed to better process semantic information and the relations between the query and the retrieved answers. To understand whether LM re-rankers always live up to this assumption, we evaluate 6 different LM re-rankers on the NQ, LitQA2 and DRUID datasets. Our results show that LM re-rankers struggle to outperform a simple BM25 baseline on DRUID. Leveraging a novel separation metric based on BM25 scores, we explain and identify re-ranker errors stemming from lexical dissimilarities. We also investigate different methods to improve LM re-ranker performance and find these methods mainly useful for NQ. Taken together, our work identifies and explains weaknesses of LM re-rankers and points to the need for more adversarial and realistic datasets for their evaluation.
comment: Accepted to FEVER 2025
♻ ☆ Right Is Not Enough: The Pitfalls of Outcome Supervision in Training LLMs for Math Reasoning
Outcome-rewarded Large Language Models (LLMs) have demonstrated remarkable success in mathematical problem-solving. However, this success often masks a critical issue: models frequently achieve correct answers through fundamentally unsound reasoning processes, a phenomenon indicative of reward hacking. We introduce MathOlympiadEval, a new dataset with fine-grained annotations, which reveals a significant gap between LLMs' answer correctness and their low process correctness. Existing automated methods like LLM-as-a-judge struggle to reliably detect these reasoning flaws. To address this, we propose ParaStepVerifier, a novel methodology for meticulous, step-by-step verification of mathematical solutions. ParaStepVerifier identifies incorrect reasoning steps. Empirical results demonstrate that ParaStepVerifier substantially improves the accuracy of identifying flawed solutions compared to baselines, especially for complex, multi-step problems. This offers a more robust path towards evaluating and training LLMs with genuine mathematical reasoning.
♻ ☆ PATCH! {P}sychometrics-{A}ssis{T}ed Ben{CH}marking of Large Language Models against Human Populations: A Case Study of Proficiency in 8th Grade Mathematics ACL 2025
Many existing benchmarks of large (multimodal) language models (LLMs) focus on measuring LLMs' academic proficiency, often with also an interest in comparing model performance with human test takers'. While such benchmarks have proven key to the development of LLMs, they suffer from several limitations, including questionable measurement quality (e.g., Do they measure what they are supposed to in a reliable way?), lack of quality assessment on the item level (e.g., Are some items more important or difficult than others?) and unclear human population reference (e.g., To whom can the model be compared?). In response to these challenges, we propose leveraging knowledge from psychometrics -- a field dedicated to the measurement of latent variables like academic proficiency -- into LLM benchmarking. We make four primary contributions. First, we reflect on current LLM benchmark developments and contrast them with psychometrics-based test development. Second, we introduce PATCH: a novel framework for {P}sychometrics-{A}ssis{T}ed ben{CH}marking of LLMs. PATCH addresses the aforementioned limitations. In particular, PATCH enables valid comparison between LLMs and human populations. Third, we demonstrate PATCH by measuring several LLMs' proficiency in 8th grade mathematics against 56 human populations. We show that adopting a psychometrics-based approach yields evaluation outcomes that diverge from those based on current benchmarking practices. Fourth, we release 4 high-quality datasets to support measuring and comparing LLM proficiency in grade school mathematics and science with human populations.
comment: Accepted to GEM2 Workshop: Generation, Evaluation & Metrics - ACL 2025
♻ ☆ Large Language Models as Span Annotators
Span annotation is the task of localizing and classifying text spans according to custom guidelines. Annotated spans can be used to analyze and evaluate high-quality texts for which single-score metrics fail to provide actionable feedback. Until recently, span annotation was limited to human annotators or fine-tuned models. In this study, we show that large language models (LLMs) can serve as flexible and cost-effective span annotation backbones. To demonstrate their utility, we compare LLMs to skilled human annotators on three diverse span annotation tasks: evaluating data-to-text generation, identifying translation errors, and detecting propaganda techniques. We demonstrate that LLMs achieve inter-annotator agreement (IAA) comparable to human annotators at a fraction of a cost per output annotation. We also manually analyze model outputs, finding that LLMs make errors at a similar rate to human annotators. We release the dataset of more than 40k model and human annotations for further research.
♻ ☆ ConciseHint: Boosting Efficient Reasoning via Continuous Concise Hints during Generation
Recent advancements in large reasoning models (LRMs) like DeepSeek-R1 and OpenAI o1 series have achieved notable performance enhancements on complex reasoning tasks by scaling up the generation length by Chain-of-Thought (CoT). However, an emerging issue is their inclination to produce excessively verbose reasoning processes, leading to the inefficiency problem. Existing literature on improving efficiency mainly adheres to the before-reasoning paradigms such as prompting and reasoning or fine-tuning and reasoning, but ignores the promising direction of directly encouraging the model to speak concisely by intervening during the generation of reasoning. In order to fill the blank, we propose a framework dubbed ConciseHint, which continuously encourages the reasoning model to speak concisely by injecting the textual hint (manually designed or trained on the concise data) during the token generation of the reasoning process. Besides, ConciseHint is adaptive to the complexity of the query by adaptively adjusting the hint intensity, which ensures it will not undermine model performance. Experiments on the state-of-the-art LRMs, including DeepSeek-R1 and Qwen-3 series, demonstrate that our method can effectively produce concise reasoning processes while maintaining performance well. For instance, we achieve a reduction ratio of 65\% for the reasoning length on GSM8K benchmark with Qwen-3 4B with nearly no accuracy loss.
comment: Codes are available at https://github.com/tsa18/ConciseHint
♻ ☆ KAG-Thinker: Interactive Thinking and Deep Reasoning in LLMs via Knowledge-Augmented Generation
In this paper, we introduce KAG-Thinker, which upgrade KAG to a multi-turn interactive thinking and deep reasoning framework powered by a dedicated parameter-light large language model (LLM). Our approach constructs a structured thinking process for solving complex problems, enhancing the the logical coherence and contextual consistency of the reasoning process in question-answering (Q&A) tasks on domain-specific knowledge bases (KBs) within LLMs. Following the \textbf{Logical Form} guided retrieval and reasoning technology route of KAG, this framework first decomposes complex questions into independently solvable sub-problems (which are also referred to as logical forms) through \textbf{breadth decomposition}. Each such logical form is represented in two equivalent forms-natural language and logical function-and subsequently classified as either a Knowledge Retrieval or Reasoning Analysis task. Dependencies and parameter passing between these tasks are explicitly modeled via logical function interfaces. In the solving process, the Retrieval function performs retrieval tasks. It retrieves one-hop structured and unstructured information of specified knowledge unit. While the Math and Deduce functions are used to perform reasoning analysis tasks. Secondly, it is worth noting that, in the Knowledge Retrieval sub-problem tasks, LLMs and external knowledge sources are regarded as equivalent KBs. We use the \textbf{knowledge boundary} module to determine the optimal source using self-regulatory mechanisms such as confidence calibration and reflective reasoning, and use the \textbf{depth solving} module to enhance the comprehensiveness of knowledge acquisition...
♻ ☆ Benchmarking the Pedagogical Knowledge of Large Language Models
Benchmarks like Massive Multitask Language Understanding (MMLU) have played a pivotal role in evaluating AI's knowledge and abilities across diverse domains. However, existing benchmarks predominantly focus on content knowledge, leaving a critical gap in assessing models' understanding of pedagogy - the method and practice of teaching. This paper introduces The Pedagogy Benchmark, a novel dataset designed to evaluate large language models on their Cross-Domain Pedagogical Knowledge (CDPK) and Special Education Needs and Disability (SEND) pedagogical knowledge. These benchmarks are built on a carefully curated set of questions sourced from professional development exams for teachers, which cover a range of pedagogical subdomains such as teaching strategies and assessment methods. Here we outline the methodology and development of these benchmarks. We report results for 97 models, with accuracies spanning a range from 28% to 89% on the pedagogical knowledge questions. We consider the relationship between cost and accuracy and chart the progression of the Pareto value frontier over time. We provide online leaderboards at https://rebrand.ly/pedagogy which are updated with new models and allow interactive exploration and filtering based on various model properties, such as cost per token and open-vs-closed weights, as well as looking at performance in different subjects. LLMs and generative AI have tremendous potential to influence education and help to address the global learning crisis. Education-focused benchmarks are crucial to measure models' capacities to understand pedagogical concepts, respond appropriately to learners' needs, and support effective teaching practices across diverse contexts. They are needed for informing the responsible and evidence-based deployment of LLMs and LLM-based tools in educational settings, and for guiding both development and policy decisions.
♻ ☆ GeistBERT: Breathing Life into German NLP
Advances in transformer-based language models have highlighted the benefits of language-specific pre-training on high-quality corpora. In this context, German NLP stands to gain from updated architectures and modern datasets tailored to the linguistic characteristics of the German language. GeistBERT seeks to improve German language processing by incrementally training on a diverse corpus and optimizing model performance across various NLP tasks. It was pre-trained using fairseq with standard hyperparameters, initialized from GottBERT weights, and trained on a large-scale German corpus using Whole Word Masking (WWM). Based on the pre-trained model, we derived extended-input variants using Nystr\"omformer and Longformer architectures with support for sequences up to 8k tokens. While these long-context models were not evaluated on dedicated long-context benchmarks, they are included in our release. We assessed all models on NER (CoNLL 2003, GermEval 2014) and text classification (GermEval 2018 fine/coarse, 10kGNAD) using $F_1$ score and accuracy. The GeistBERT models achieved strong performance, leading all tasks among the base models and setting a new state-of-the-art (SOTA). Notably, the base models outperformed larger models in several tasks. To support the German NLP research community, we are releasing GeistBERT under the MIT license.
♻ ☆ ChatSR: Multimodal Large Language Models for Scientific Formula Discovery
Formulas are the language of communication between humans and nature. The discovery of formulas to describe natural laws from observational data is the purpose of scientific research. It is also an important research topic in artificial intelligence, which is called a symbolic regression problem. Most of the existing symbolic regression methods generate expressions directly from observed data. Although in some methods, we can inject some prior knowledge into the model by adding constraints or introducing some special character hints. However, these methods can only introduce a limited amount of prior knowledge specified in advance. Not to mention understanding natural language instructions. In this article, based on the powerful knowledge reserve and language understanding ability of multi-modal large language models, we present ChatSR, which acts like a knowledgeable human scientist, and we can tell it any prior knowledge through natural language to guide it in formula generation. By testing on 13 datasets, ChatSR not only shows state-of-the-art performance on traditional symbolic regression tasks. More notably, ChatSR can well understand the prior knowledge contained in natural language prompts and improve the quality of generated expressions. In addition, it is exciting that ChatSR has a good zero-shot capability to understand prior knowledge that is not present in the training data.
comment: 23 pages,
♻ ☆ DaMO: A Data-Efficient Multimodal Orchestrator for Temporal Reasoning with Video LLMs
Large Language Models (LLMs) have recently been extended to the video domain, enabling sophisticated video-language understanding. However, existing Video LLMs often exhibit limitations in fine-grained temporal reasoning, restricting their ability to precisely attribute responses to specific video moments, especially under constrained supervision. We introduce DaMO, a data-efficient Video LLM explicitly designed for accurate temporal reasoning and multimodal understanding. At its core, the proposed Temporal-aware Fuseformer employs a hierarchical dual-stream architecture that progressively captures temporal dynamics within each modality and effectively fuses complementary visual and audio information. To further enhance computational efficiency, DaMO integrates a global residual that reduces spatial redundancy while preserving essential semantic details. We train DaMO via a structured four-stage progressive training paradigm, incrementally equipping the model with multimodal alignment, semantic grounding, and temporal reasoning capabilities. This work also contributes multiple datasets augmented from existing ones with GPT-generated temporally grounded QA pairs for tasks requiring temporal supervision. Comprehensive experiments on temporal grounding and video QA benchmarks demonstrate that DaMO consistently surpasses prior methods, particularly in tasks demanding precise temporal alignment and reasoning. Our work establishes a promising direction for data-efficient video-language modeling.
comment: I would like to request the withdrawal of this submission because the current version contains significant errors and incomplete results. I intend to revise the manuscript thoroughly before resubmitting. I apologize for the oversight and appreciate your understanding
♻ ☆ LEVOS: Leveraging Vocabulary Overlap with Sanskrit to Generate Technical Lexicons in Indian Languages ACL2025
Translating technical terms into lexically similar, low-resource Indian languages remains a challenge due to limited parallel data and the complexity of linguistic structures. We propose a novel use-case of Sanskrit-based segments for linguistically informed translation of such terms, leveraging subword-level similarity and morphological alignment across related languages. Our approach uses character-level segmentation to identify meaningful subword units, facilitating more accurate and context-aware translation. To enable this, we utilize a Character-level Transformer model for Sanskrit Word Segmentation (CharSS), which addresses the complexities of sandhi and morpho-phonemic changes during segmentation. We observe consistent improvements in two experimental settings for technical term translation using Sanskrit-derived segments, averaging 8.46 and 6.79 chrF++ scores, respectively. Further, we conduct a post hoc human evaluation to verify the quality assessment of the translated technical terms using automated metrics. This work has important implications for the education field, especially in creating accessible, high-quality learning materials in Indian languages. By supporting the accurate and linguistically rooted translation of technical content, our approach facilitates inclusivity and aids in bridging the resource gap for learners in low-resource language communities.
comment: 20th Workshop on Innovative Use of NLP for Building Educational Applications (Co-located with ACL2025)
♻ ☆ Multilingual Tokenization through the Lens of Indian Languages: Challenges and Insights
Tokenization plays a pivotal role in multilingual NLP. However, existing tokenizers are often skewed towards high-resource languages, limiting their effectiveness for linguistically diverse and morphologically rich languages such as those in the Indian subcontinent. This paper presents a comprehensive intrinsic evaluation of tokenization strategies across 17 Indian languages. We quantify the trade-offs between bottom-up and top-down tokenizer algorithms (BPE and Unigram LM), effects of vocabulary sizes, and compare strategies of multilingual vocabulary construction such as joint and cluster-based training. We also show that extremely low-resource languages can benefit from tokenizers trained on related high-resource languages. Our study provides practical insights for building more fair, efficient, and linguistically informed tokenizers for multilingual NLP.
♻ ☆ Statistical Multicriteria Evaluation of LLM-Generated Text
Assessing the quality of LLM-generated text remains a fundamental challenge in natural language processing. Current evaluation approaches often rely on isolated metrics or simplistic aggregations that fail to capture the nuanced trade-offs between coherence, diversity, fluency, and other relevant indicators of text quality. In this work, we adapt a recently proposed framework for statistical inference based on Generalized Stochastic Dominance (GSD) that addresses three critical limitations in existing benchmarking methodologies: the inadequacy of single-metric evaluation, the incompatibility between cardinal automatic metrics and ordinal human judgments, and the lack of inferential statistical guarantees. The GSD-front approach enables simultaneous evaluation across multiple quality dimensions while respecting their different measurement scales, building upon partial orders of decoding strategies, thus avoiding arbitrary weighting of the involved metrics. By applying this framework to evaluate common decoding strategies against human-generated text, we demonstrate its ability to identify statistically significant performance differences while accounting for potential deviations from the i.i.d. assumption of the sampling design.
♻ ☆ ReDit: Reward Dithering for Improved LLM Policy Optimization
DeepSeek-R1 has successfully enhanced Large Language Model (LLM) reasoning capabilities through its rule-based reward system. While it's a ''perfect'' reward system that effectively mitigates reward hacking, such reward functions are often discrete. Our experimental observations suggest that discrete rewards can lead to gradient anomaly, unstable optimization, and slow convergence. To address this issue, we propose ReDit (Reward Dithering), a method that dithers the discrete reward signal by adding simple random noise. With this perturbed reward, exploratory gradients are continuously provided throughout the learning process, enabling smoother gradient updates and accelerating convergence. The injected noise also introduces stochasticity into flat reward regions, encouraging the model to explore novel policies and escape local optima. Experiments across diverse tasks demonstrate the effectiveness and efficiency of ReDit. On average, ReDit achieves performance comparable to vanilla GRPO with only approximately 10% the training steps, and furthermore, still exhibits a 4% performance improvement over vanilla GRPO when trained for a similar duration. Visualizations confirm significant mitigation of gradient issues with ReDit. Moreover, theoretical analyses are provided to further validate these advantages.
comment: 10 pages, 15 figures
♻ ☆ SpokenWOZ: A Large-Scale Speech-Text Benchmark for Spoken Task-Oriented Dialogue Agents NeurIPS 2023
Task-oriented dialogue (TOD) models have made significant progress in recent years. However, previous studies primarily focus on datasets written by annotators, which has resulted in a gap between academic research and real-world spoken conversation scenarios. While several small-scale spoken TOD datasets are proposed to address robustness issues such as ASR errors, they ignore the unique challenges in spoken conversation. To tackle the limitations, we introduce SpokenWOZ, a large-scale speech-text dataset for spoken TOD, containing 8 domains, 203k turns, 5.7k dialogues and 249 hours of audios from human-to-human spoken conversations. SpokenWOZ further incorporates common spoken characteristics such as word-by-word processing and reasoning in spoken language. Based on these characteristics, we present cross-turn slot and reasoning slot detection as new challenges. We conduct experiments on various baselines, including text-modal models, newly proposed dual-modal models, and LLMs, e.g., ChatGPT. The results show that the current models still have substantial room for improvement in spoken conversation, where the most advanced dialogue state tracker only achieves 25.65% in joint goal accuracy and the SOTA end-to-end model only correctly completes the user request in 52.1% of dialogues. The dataset, code, and leaderboard are available: https://spokenwoz.github.io/.
comment: NeurIPS 2023
♻ ☆ Analyzing LLMs' Knowledge Boundary Cognition Across Languages Through the Lens of Internal Representations ACL 2025
While understanding the knowledge boundaries of LLMs is crucial to prevent hallucination, research on the knowledge boundaries of LLMs has predominantly focused on English. In this work, we present the first study to analyze how LLMs recognize knowledge boundaries across different languages by probing their internal representations when processing known and unknown questions in multiple languages. Our empirical studies reveal three key findings: 1) LLMs' perceptions of knowledge boundaries are encoded in the middle to middle-upper layers across different languages. 2) Language differences in knowledge boundary perception follow a linear structure, which motivates our proposal of a training-free alignment method that effectively transfers knowledge boundary perception ability across languages, thereby helping reduce hallucination risk in low-resource languages; 3) Fine-tuning on bilingual question pair translation further enhances LLMs' recognition of knowledge boundaries across languages. Given the absence of standard testbeds for cross-lingual knowledge boundary analysis, we construct a multilingual evaluation suite comprising three representative types of knowledge boundary data. Our code and datasets are publicly available at https://github.com/DAMO-NLP-SG/LLM-Multilingual-Knowledge-Boundaries.
comment: ACL 2025 main; camera ready
♻ ☆ RAG+: Enhancing Retrieval-Augmented Generation with Application-Aware Reasoning
The integration of external knowledge through Retrieval-Augmented Generation (RAG) has become foundational in enhancing large language models (LLMs) for knowledge-intensive tasks. However, existing RAG paradigms often overlook the cognitive step of applying knowledge, leaving a gap between retrieved facts and task-specific reasoning. In this work, we introduce RAG+, a principled and modular extension that explicitly incorporates application-aware reasoning into the RAG pipeline. RAG+ constructs a dual corpus consisting of knowledge and aligned application examples, created either manually or automatically, and retrieves both jointly during inference. This design enables LLMs not only to access relevant information but also to apply it within structured, goal-oriented reasoning processes. Experiments across mathematical, legal, and medical domains, conducted on multiple models, demonstrate that RAG+ consistently outperforms standard RAG variants, achieving average improvements of 3-5%, and peak gains up to 7.5% in complex scenarios. By bridging retrieval with actionable application, RAG+ advances a more cognitively grounded framework for knowledge integration, representing a step toward more interpretable and capable LLMs.
♻ ☆ FLAT-LLM: Fine-grained Low-rank Activation Space Transformation for Large Language Model Compression
Large Language Models (LLMs) have enabled remarkable progress in natural language processing, yet their high computational and memory demands pose challenges for deployment in resource-constrained environments. Although recent low-rank decomposition methods offer a promising path for structural compression, they often suffer from accuracy degradation, expensive calibration procedures, and result in inefficient model architectures that hinder real-world inference speedups. In this paper, we propose FLAT-LLM, a fast and accurate, training-free structural compression method based on fine-grained low-rank transformations in the activation space. Specifically, we reduce the hidden dimension by transforming the weights using truncated eigenvectors computed via head-wise Principal Component Analysis (PCA), and employ an importance-based metric to adaptively allocate ranks across decoders. FLAT-LLM achieves efficient and effective weight compression without recovery fine-tuning, which could complete the calibration within a few minutes. Evaluated across 4 models and 11 datasets, FLAT-LLM outperforms structural pruning baselines in generalization and downstream performance, while delivering inference speedups over decomposition-based methods.
♻ ☆ Long-Context Generalization with Sparse Attention
Transformer-based architectures traditionally employ softmax to compute attention weights, which produces dense distributions over all tokens in a sequence. While effective in many settings, this density has been shown to be detrimental for tasks that demand precise focus on fixed-size patterns: as sequence length increases, non-informative tokens accumulate attention probability mass, leading to dispersion and representational collapse. We show in this paper that sparse attention mechanisms using $\alpha$-entmax can avoid these issues, due to their ability to assign exact zeros to irrelevant tokens. Furthermore, we introduce Adaptive-Scalable Entmax (ASEntmax), which endows $\alpha$-entmax with a learnable temperature parameter, allowing the attention distribution to interpolate between sparse (pattern-focused) and dense (softmax-like) regimes. Finally, we show that the ability to locate and generalize fixed-size patterns can be further improved through a careful design of position encodings, which impacts both dense and sparse attention methods. By integrating ASEntmax into standard transformer layers alongside proper positional encodings, we show that our models greatly outperform softmax, scalable softmax, and fixed-temperature $\alpha$-entmax baselines on long-context generalization.
♻ ☆ Evaluating Transparent Reasoning in Large Language Models for Accountable Critical Tasks NeurIPS 2024
This paper introduces REACT, a benchmark designed to rigorously evaluate the reasoning capabilities of large language models (LLMs) within accountable, high-stakes decision-making tasks in medical and legal domains. Unlike traditional benchmarks primarily focused on prediction accuracy, REACT emphasizes transparent and interpretable reasoning, requiring models to align their logic closely with expert-derived procedures. To assess whether LLM reasoning aligns closely with human experts, we annotated 511 clinical cases from the medical domain and 86 legal cases from the legal domain, each enriched with detailed expert-extracted rationales and evidence supporting each step of the reasoning process. These annotations were guided by carefully constructed reasoning graphs, which explicitly encode domain-specific inference structures and decision criteria derived by domain experts. These reasoning graphs serve not only as standards for expert annotation but also as structured guidelines enabling models to reason transparently and step-by-step. To address the scalability challenges of manual annotation, we further developed a semi-automatic annotation pipeline leveraging expert-defined reasoning graph templates to efficiently generate new graphs, exploring the potential to extend our approach into additional critical domains. Experimental results demonstrate that reasoning graphs substantially enhance the interpretability and accuracy of LLM reasoning compared to traditional baselines, although significant gaps remain relative to expert-level reasoning performance.
comment: This paper is the journal extension of our NeurIPS 2024 paper "DiReCT: Diagnostic Reasoning for Clinical Notes via Large Language Models"
Disentangling Reasoning and Knowledge in Medical Large Language Models
Medical reasoning in large language models (LLMs) aims to emulate clinicians' diagnostic thinking, but current benchmarks such as MedQA-USMLE, MedMCQA, and PubMedQA often mix reasoning with factual recall. We address this by separating 11 biomedical QA benchmarks into reasoning- and knowledge-focused subsets using a PubMedBERT classifier that reaches 81 percent accuracy, comparable to human performance. Our analysis shows that only 32.8 percent of questions require complex reasoning. We evaluate biomedical models (HuatuoGPT-o1, MedReason, m1) and general-domain models (DeepSeek-R1, o4-mini, Qwen3), finding consistent gaps between knowledge and reasoning performance. For example, HuatuoGPT-o1 scores 56.9 on knowledge but only 44.8 on reasoning. In adversarial tests where models are misled with incorrect initial reasoning, biomedical models degrade sharply, while larger or RL-trained general models show more robustness. To address this, we train BioMed-R1 using fine-tuning and reinforcement learning on reasoning-heavy examples. It achieves the strongest performance among similarly sized models. Further gains may come from incorporating clinical case reports and training with adversarial and backtracking scenarios.
♻ ☆ Process Reward Models That Think
Step-by-step verifiers -- also known as process reward models (PRMs) -- are a key ingredient for test-time scaling. PRMs require step-level supervision, making them expensive to train. This work aims to build data-efficient PRMs as verbalized step-wise reward models that verify every step in the solution by generating a verification chain-of-thought (CoT). We propose ThinkPRM, a long CoT verifier fine-tuned on orders of magnitude fewer process labels than those required by discriminative PRMs. Our approach capitalizes on the inherent reasoning abilities of long CoT models, and outperforms LLM-as-a-Judge and discriminative verifiers -- using only 1% of the process labels in PRM800K -- across several challenging benchmarks. Specifically, ThinkPRM beats the baselines on ProcessBench, MATH-500, and AIME '24 under best-of-N selection and reward-guided search. In an out-of-domain evaluation on a subset of GPQA-Diamond and LiveCodeBench, our PRM surpasses discriminative verifiers trained on the full PRM800K by 8% and 4.5%, respectively. Lastly, under the same token budget, ThinkPRM scales up verification compute more effectively compared to LLM-as-a-Judge, outperforming it by 7.2% on a subset of ProcessBench. Our work highlights the value of generative, long CoT PRMs that can scale test-time compute for verification while requiring minimal supervision for training. Our code, data, and models will be released at https://github.com/mukhal/thinkprm.
♻ ☆ The Noisy Path from Source to Citation: Measuring How Scholars Engage with Past Research ACL 2025
Academic citations are widely used for evaluating research and tracing knowledge flows. Such uses typically rely on raw citation counts and neglect variability in citation types. In particular, citations can vary in their fidelity as original knowledge from cited studies may be paraphrased, summarized, or reinterpreted, possibly wrongly, leading to variation in how much information changes from cited to citing paper. In this study, we introduce a computational pipeline to quantify citation fidelity at scale. Using full texts of papers, the pipeline identifies citations in citing papers and the corresponding claims in cited papers, and applies supervised models to measure fidelity at the sentence level. Analyzing a large-scale multi-disciplinary dataset of approximately 13 million citation sentence pairs, we find that citation fidelity is higher when authors cite papers that are 1) more recent and intellectually close, 2) more accessible, and 3) the first author has a lower H-index and the author team is medium-sized. Using a quasi-experiment, we establish the "telephone effect" - when citing papers have low fidelity to the original claim, future papers that cite the citing paper and the original have lower fidelity to the original. Our work reveals systematic differences in citation fidelity, underscoring the limitations of analyses that rely on citation quantity alone and the potential for distortion of evidence.
comment: Accepted by ACL 2025
♻ ☆ Evaluating Long Range Dependency Handling in Code Generation LLMs
As language models support larger and larger context sizes, evaluating their ability to make effective use of that context becomes increasingly important. We analyze the ability of several code generation models to handle long range dependencies using a suite of multi-step key retrieval tasks in context windows up to 8k tokens in length. The tasks progressively increase in difficulty and allow more nuanced evaluation of model capabilities than tests like the popular needle-in-the-haystack test. We find that performance degrades significantly for many models (up to 2x) when a function references another function that is defined later in the prompt. We also observe that models that use sliding window attention mechanisms have difficulty handling references further than the size of a single window. We perform simple prompt modifications using call graph information to improve multi-step retrieval performance up to 3x. Our analysis highlights ways that long-context performance needs deeper consideration beyond retrieval of single facts within a document.
comment: 36 pages, 18 figures
♻ ☆ Language Models Learn Rare Phenomena from Less Rare Phenomena: The Case of the Missing AANNs
Language models learn rare syntactic phenomena, but the extent to which this is attributable to generalization vs. memorization is a major open question. To that end, we iteratively trained transformer language models on systematically manipulated corpora which were human-scale in size, and then evaluated their learning of a rare grammatical phenomenon: the English Article+Adjective+Numeral+Noun (AANN) construction (``a beautiful five days''). We compared how well this construction was learned on the default corpus relative to a counterfactual corpus in which AANN sentences were removed. We found that AANNs were still learned better than systematically perturbed variants of the construction. Using additional counterfactual corpora, we suggest that this learning occurs through generalization from related constructions (e.g., ``a few days''). An additional experiment showed that this learning is enhanced when there is more variability in the input. Taken together, our results provide an existence proof that LMs can learn rare grammatical phenomena by generalization from less rare phenomena. Data and code: https://github.com/kanishkamisra/aannalysis.
comment: Added Corrigendum to correct 4-gram baseline performance and chance performance
♻ ☆ Can Language Models Replace Programmers for Coding? REPOCOD Says 'Not Yet'
Recently, a number of repository-level code generation benchmarks-such as CoderEval, DevEval, RepoEval, RepoBench, and LongCodeArena-have emerged to evaluate the capabilities of large language models (LLMs) beyond standalone benchmarks like HumanEval and MBPP. Thus, a natural question is, would LLMs have similar performance in real world coding tasks as their performance in these benchmarks? Unfortunately, one cannot answer this question, since these benchmarks consist of short completions, synthetic examples, or focus on limited scale repositories, failing to represent real-world coding tasks. To address these challenges, we create REPOCOD, a Python code-generation benchmark containing complex tasks with realistic dependencies in real-world large projects and appropriate metrics for evaluating source code. It includes 980 whole-function generation tasks from 11 popular projects, 50.8% of which require repository-level context. REPOCOD includes 314 developer-written test cases per instance for better evaluation. We evaluate ten LLMs on REPOCOD and find that none achieves more than 30% pass@1 on REPOCOD, indicating the necessity of building stronger LLMs that can help developers in real-world software development. In addition, we found that retrieval-augmented generation achieves better results than using target function dependencies as context.
♻ ☆ WAFFLE: Finetuning Multi-Modal Model for Automated Front-End Development
Web development involves turning UI designs into functional webpages, which can be difficult for both beginners and experienced developers due to the complexity of HTML's hierarchical structures and styles. While Large Language Models (LLMs) have shown promise in generating source code, two major challenges persist in UI-to-HTML code generation: (1) effectively representing HTML's hierarchical structure for LLMs, and (2) bridging the gap between the visual nature of UI designs and the text-based format of HTML code. To tackle these challenges, we introduce Waffle, a new fine-tuning strategy that uses a structure-aware attention mechanism to improve LLMs' understanding of HTML's structure and a contrastive fine-tuning approach to align LLMs' understanding of UI images and HTML code. Models fine-tuned with Waffle show up to 9.00 pp (percentage point) higher HTML match, 0.0982 higher CW-SSIM, 32.99 higher CLIP, and 27.12 pp higher LLEM on our new benchmark WebSight-Test and an existing benchmark Design2Code, outperforming current fine-tuning methods.
♻ ☆ When Large Language Models contradict humans? Large Language Models' Sycophantic Behaviour
Large Language Models have been demonstrating broadly satisfactory generative abilities for users, which seems to be due to the intensive use of human feedback that refines responses. Nevertheless, suggestibility inherited via human feedback improves the inclination to produce answers corresponding to users' viewpoints. This behaviour is known as sycophancy and depicts the tendency of LLMs to generate misleading responses as long as they align with humans. This phenomenon induces bias and reduces the robustness and, consequently, the reliability of these models. In this paper, we study the suggestibility of Large Language Models (LLMs) to sycophantic behaviour, analysing these tendencies via systematic human-interventions prompts over different tasks. Our investigation demonstrates that LLMs have sycophantic tendencies when answering queries that involve subjective opinions and statements that should elicit a contrary response based on facts. In contrast, when faced with math tasks or queries with an objective answer, they, at various scales, do not follow the users' hints by demonstrating confidence in generating the correct answers.
♻ ☆ FactCheckmate: Preemptively Detecting and Mitigating Hallucinations in LMs
Language models (LMs) hallucinate. We inquire: Can we detect and mitigate hallucinations before they happen? This work answers this research question in the positive, by showing that the internal representations of LMs provide rich signals that can be used for this purpose. We introduce FactCheckmate, which preemptively detects hallucinations by learning a classifier that predicts whether the LM will hallucinate, based on the model's hidden states produced over the inputs, before decoding begins. If a hallucination is detected, FactCheckmate then intervenes by adjusting the LM's hidden states such that the model will produce more factual outputs. FactCheckmate provides fresh insights that the inner workings of LMs can be revealed by their hidden states. Practically, both its detection and mitigation models are lightweight, adding little inference overhead; FactCheckmate proves a more efficient approach for mitigating hallucinations compared to many post-hoc alternatives. We evaluate FactCheckmate over LMs of different scales and model families (including Llama, Mistral, Qwen and Gemma), across a variety of QA datasets from different domains. Our results demonstrate the effectiveness of FactCheckmate, achieving over 70% preemptive detection accuracy. On average, outputs generated by LMs with intervention are 34.4% more factual compared to those without.
♻ ☆ Aug2Search: Enhancing Facebook Marketplace Search with LLM-Generated Synthetic Data Augmentation
Embedding-Based Retrieval (EBR) is an important technique in modern search engines, enabling semantic match between search queries and relevant results. However, search logging data on platforms like Facebook Marketplace lacks the diversity and details needed for effective EBR model training, limiting the models' ability to capture nuanced search patterns. To address this challenge, we propose Aug2Search, an EBR-based framework leveraging synthetic data generated by Generative AI (GenAI) models, in a multimodal and multitask approach to optimize query-product relevance. This paper investigates the capabilities of GenAI, particularly Large Language Models (LLMs), in generating high-quality synthetic data, and analyzing its impact on enhancing EBR models. We conducted experiments using eight Llama models and 100 million data points from Facebook Marketplace logs. Our synthetic data generation follows three strategies: (1) generate queries, (2) enhance product listings, and (3) generate queries from enhanced listings. We train EBR models on three different datasets: sampled engagement data or original data ((e.g., "Click" and "Listing Interactions")), synthetic data, and a mixture of both engagement and synthetic data to assess their performance across various training sets. Our findings underscore the robustness of Llama models in producing synthetic queries and listings with high coherence, relevance, and diversity, while maintaining low levels of hallucination. Aug2Search achieves an improvement of up to 4% in ROC_AUC with 100 million synthetic data samples, demonstrating the effectiveness of our approach. Moreover, our experiments reveal that with the same volume of training data, models trained exclusively on synthetic data often outperform those trained on original data only or a mixture of original and synthetic data.
♻ ☆ GlyphPattern: An Abstract Pattern Recognition Benchmark for Vision-Language Models
Vision-Language Models (VLMs) building upon the foundation of powerful large language models have made rapid progress in reasoning across visual and textual data. While VLMs perform well on vision tasks that they are trained on, our results highlight key challenges in abstract pattern recognition. We present GlyphPattern, a 954 item dataset that pairs 318 human-written descriptions of visual patterns from 40 writing systems with three visual presentation styles. GlyphPattern evaluates abstract pattern recognition in VLMs, requiring models to understand and judge natural language descriptions of visual patterns. GlyphPattern patterns are drawn from a large-scale cognitive science investigation of human writing systems; as a result, they are rich in spatial reference and compositionality. Our experiments show that GlyphPattern is challenging for state-of-the-art VLMs (GPT-4o achieves only 55% accuracy), with marginal gains from few-shot prompting. Our detailed error analysis reveals challenges at multiple levels, including visual processing, natural language understanding, and pattern generalization.
Computer Vision and Pattern Recognition 100
☆ Radial Attention: $O(n\log n)$ Sparse Attention with Energy Decay for Long Video Generation
Recent advances in diffusion models have enabled high-quality video generation, but the additional temporal dimension significantly increases computational costs, making training and inference on long videos prohibitively expensive. In this paper, we identify a phenomenon we term Spatiotemporal Energy Decay in video diffusion models: post-softmax attention scores diminish as spatial and temporal distance between tokens increase, akin to the physical decay of signal or waves over space and time in nature. Motivated by this, we propose Radial Attention, a scalable sparse attention mechanism with $O(n \log n)$ complexity that translates energy decay into exponentially decaying compute density, which is significantly more efficient than standard $O(n^2)$ dense attention and more expressive than linear attention. Specifically, Radial Attention employs a simple, static attention mask where each token attends to spatially nearby tokens, with the attention window size shrinking with temporal distance. Moreover, it allows pre-trained video diffusion models to extend their generation length with efficient LoRA-based fine-tuning. Extensive experiments show that Radial Attention maintains video quality across Wan2.1-14B, HunyuanVideo, and Mochi 1, achieving up to a 1.9$\times$ speedup over the original dense attention. With minimal tuning, it enables video generation up to 4$\times$ longer while reducing training costs by up to 4.4$\times$ compared to direct fine-tuning and accelerating inference by up to 3.7$\times$ compared to dense attention inference.
comment: Code: https://github.com/mit-han-lab/radial-attention
☆ AnimaX: Animating the Inanimate in 3D with Joint Video-Pose Diffusion Models
We present AnimaX, a feed-forward 3D animation framework that bridges the motion priors of video diffusion models with the controllable structure of skeleton-based animation. Traditional motion synthesis methods are either restricted to fixed skeletal topologies or require costly optimization in high-dimensional deformation spaces. In contrast, AnimaX effectively transfers video-based motion knowledge to the 3D domain, supporting diverse articulated meshes with arbitrary skeletons. Our method represents 3D motion as multi-view, multi-frame 2D pose maps, and enables joint video-pose diffusion conditioned on template renderings and a textual motion prompt. We introduce shared positional encodings and modality-aware embeddings to ensure spatial-temporal alignment between video and pose sequences, effectively transferring video priors to motion generation task. The resulting multi-view pose sequences are triangulated into 3D joint positions and converted into mesh animation via inverse kinematics. Trained on a newly curated dataset of 160,000 rigged sequences, AnimaX achieves state-of-the-art results on VBench in generalization, motion fidelity, and efficiency, offering a scalable solution for category-agnostic 3D animation. Project page: \href{https://anima-x.github.io/}{https://anima-x.github.io/}.
comment: Project page: https://anima-x.github.io/
☆ Unified Vision-Language-Action Model
Vision-language-action models (VLAs) have garnered significant attention for their potential in advancing robotic manipulation. However, previous approaches predominantly rely on the general comprehension capabilities of vision-language models (VLMs) to generate action signals, often overlooking the rich temporal and causal structure embedded in visual observations. In this paper, we present UniVLA, a unified and native multimodal VLA model that autoregressively models vision, language, and action signals as discrete token sequences. This formulation enables flexible multimodal tasks learning, particularly from large-scale video data. By incorporating world modeling during post-training, UniVLA captures causal dynamics from videos, facilitating effective transfer to downstream policy learning--especially for long-horizon tasks. Our approach sets new state-of-the-art results across several widely used simulation benchmarks, including CALVIN, LIBERO, and Simplenv-Bridge, significantly surpassing previous methods. For example, UniVLA achieves 95.5% average success rate on LIBERO benchmark, surpassing pi0-FAST's 85.5%. We further demonstrate its broad applicability on real-world ALOHA manipulation and autonomous driving.
comment: technical report
☆ ScaleCap: Inference-Time Scalable Image Captioning via Dual-Modality Debiasing
This paper presents ScaleCap, an inference-time scalable image captioning strategy that generates comprehensive and detailed image captions. The key challenges of high-quality image captioning lie in the inherent biases of LVLMs: multimodal bias resulting in imbalanced descriptive granularity, offering detailed accounts of some elements while merely skimming over others; linguistic bias leading to hallucinated descriptions of non-existent objects. To address these issues, we propose a scalable debiased captioning strategy, which continuously enriches and calibrates the caption with increased inference budget. Specifically, we propose two novel components: heuristic question answering and contrastive sentence rating. The former generates content-specific questions based on the image and answers them to progressively inject relevant information into the caption. The latter employs sentence-level offline contrastive decoding to effectively identify and eliminate hallucinations caused by linguistic biases. With increased inference cost, more heuristic questions are raised by ScaleCap to progressively capture additional visual details, generating captions that are more accurate, balanced, and informative. Extensive modality alignment experiments demonstrate the effectiveness of ScaleCap. Annotating 450K images with ScaleCap and using them for LVLM pretraining leads to consistent performance gains across 11 widely used benchmarks. Furthermore, ScaleCap showcases superb richness and fidelity of generated captions with two additional tasks: replacing images with captions in VQA task, and reconstructing images from captions to assess semantic coverage. Code is available at https://github.com/Cooperx521/ScaleCap.
comment: Code is available at https://github.com/Cooperx521/ScaleCap
Orthogonal Finetuning Made Scalable
Orthogonal finetuning (OFT) offers highly parameter-efficient adaptation while preventing catastrophic forgetting, but its high runtime and memory demands limit practical deployment. We identify the core computational bottleneck in OFT as its weight-centric implementation, which relies on costly matrix-matrix multiplications with cubic complexity. To overcome this, we propose OFTv2, an input-centric reformulation that instead uses matrix-vector multiplications (i.e., matrix-free computation), reducing the computational cost to quadratic. We further introduce the Cayley-Neumann parameterization, an efficient orthogonal parameterization that approximates the matrix inversion in Cayley transform via a truncated Neumann series. These modifications allow OFTv2 to achieve up to 10x faster training and 3x lower GPU memory usage without compromising performance. In addition, we extend OFTv2 to support finetuning quantized foundation models and show that it outperforms the popular QLoRA in training stability, efficiency, and memory usage.
comment: Technical report (17 pages, 7 figures, project page: https://spherelab.ai/oftv2/)
☆ A Comparative Study of NAFNet Baselines for Image Restoration
We study NAFNet (Nonlinear Activation Free Network), a simple and efficient deep learning baseline for image restoration. By using CIFAR10 images corrupted with noise and blur, we conduct an ablation study of NAFNet's core components. Our baseline model implements SimpleGate activation, Simplified Channel Activation (SCA), and LayerNormalization. We compare this baseline to different variants that replace or remove components. Quantitative results (PSNR, SSIM) and examples illustrate how each modification affects restoration performance. Our findings support the NAFNet design: the SimpleGate and simplified attention mechanisms yield better results than conventional activations and attention, while LayerNorm proves to be important for stable training. We conclude with recommendations for model design, discuss potential improvements, and future work.
☆ Active View Selector: Fast and Accurate Active View Selection with Cross Reference Image Quality Assessment
We tackle active view selection in novel view synthesis and 3D reconstruction. Existing methods like FisheRF and ActiveNeRF select the next best view by minimizing uncertainty or maximizing information gain in 3D, but they require specialized designs for different 3D representations and involve complex modelling in 3D space. Instead, we reframe this as a 2D image quality assessment (IQA) task, selecting views where current renderings have the lowest quality. Since ground-truth images for candidate views are unavailable, full-reference metrics like PSNR and SSIM are inapplicable, while no-reference metrics, such as MUSIQ and MANIQA, lack the essential multi-view context. Inspired by a recent cross-referencing quality framework CrossScore, we train a model to predict SSIM within a multi-view setup and use it to guide view selection. Our cross-reference IQA framework achieves substantial quantitative and qualitative improvements across standard benchmarks, while being agnostic to 3D representations, and runs 14-33 times faster than previous methods.
comment: Project page: https://avs.active.vision/
☆ GenHSI: Controllable Generation of Human-Scene Interaction Videos
Large-scale pre-trained video diffusion models have exhibited remarkable capabilities in diverse video generation. However, existing solutions face several challenges in using these models to generate long movie-like videos with rich human-object interactions that include unrealistic human-scene interaction, lack of subject identity preservation, and require expensive training. We propose GenHSI, a training-free method for controllable generation of long human-scene interaction videos (HSI). Taking inspiration from movie animation, our key insight is to overcome the limitations of previous work by subdividing the long video generation task into three stages: (1) script writing, (2) pre-visualization, and (3) animation. Given an image of a scene, a user description, and multiple images of a person, we use these three stages to generate long-videos that preserve human-identity and provide rich human-scene interactions. Script writing converts complex human tasks into simple atomic tasks that are used in the pre-visualization stage to generate 3D keyframes (storyboards). These 3D keyframes are rendered and animated by off-the-shelf video diffusion models for consistent long video generation with rich contacts in a 3D-aware manner. A key advantage of our work is that we alleviate the need for scanned, accurate scenes and create 3D keyframes from single-view images. We are the first to generate a long video sequence with a consistent camera pose that contains arbitrary numbers of character actions without training. Experiments demonstrate that our method can generate long videos that effectively preserve scene content and character identity with plausible human-scene interaction from a single image scene. Visit our project homepage https://kunkun0w0.github.io/project/GenHSI/ for more information.
☆ Improving Progressive Generation with Decomposable Flow Matching
Generating high-dimensional visual modalities is a computationally intensive task. A common solution is progressive generation, where the outputs are synthesized in a coarse-to-fine spectral autoregressive manner. While diffusion models benefit from the coarse-to-fine nature of denoising, explicit multi-stage architectures are rarely adopted. These architectures have increased the complexity of the overall approach, introducing the need for a custom diffusion formulation, decomposition-dependent stage transitions, add-hoc samplers, or a model cascade. Our contribution, Decomposable Flow Matching (DFM), is a simple and effective framework for the progressive generation of visual media. DFM applies Flow Matching independently at each level of a user-defined multi-scale representation (such as Laplacian pyramid). As shown by our experiments, our approach improves visual quality for both images and videos, featuring superior results compared to prior multistage frameworks. On Imagenet-1k 512px, DFM achieves 35.2% improvements in FDD scores over the base architecture and 26.4% over the best-performing baseline, under the same training compute. When applied to finetuning of large models, such as FLUX, DFM shows faster convergence speed to the training distribution. Crucially, all these advantages are achieved with a single model, architectural simplicity, and minimal modifications to existing training pipelines.
comment: Project Webpage: https://snap-research.github.io/dfm/
☆ SimpleGVR: A Simple Baseline for Latent-Cascaded Video Super-Resolution
Latent diffusion models have emerged as a leading paradigm for efficient video generation. However, as user expectations shift toward higher-resolution outputs, relying solely on latent computation becomes inadequate. A promising approach involves decoupling the process into two stages: semantic content generation and detail synthesis. The former employs a computationally intensive base model at lower resolutions, while the latter leverages a lightweight cascaded video super-resolution (VSR) model to achieve high-resolution output. In this work, we focus on studying key design principles for latter cascaded VSR models, which are underexplored currently. First, we propose two degradation strategies to generate training pairs that better mimic the output characteristics of the base model, ensuring alignment between the VSR model and its upstream generator. Second, we provide critical insights into VSR model behavior through systematic analysis of (1) timestep sampling strategies, (2) noise augmentation effects on low-resolution (LR) inputs. These findings directly inform our architectural and training innovations. Finally, we introduce interleaving temporal unit and sparse local attention to achieve efficient training and inference, drastically reducing computational overhead. Extensive experiments demonstrate the superiority of our framework over existing methods, with ablation studies confirming the efficacy of each design choice. Our work establishes a simple yet effective baseline for cascaded video super-resolution generation, offering practical insights to guide future advancements in efficient cascaded synthesis systems.
comment: Project webpage available at https://simplegvr.github.io/
☆ Bind-Your-Avatar: Multi-Talking-Character Video Generation with Dynamic 3D-mask-based Embedding Router
Recent years have witnessed remarkable advances in audio-driven talking head generation. However, existing approaches predominantly focus on single-character scenarios. While some methods can create separate conversation videos between two individuals, the critical challenge of generating unified conversation videos with multiple physically co-present characters sharing the same spatial environment remains largely unaddressed. This setting presents two key challenges: audio-to-character correspondence control and the lack of suitable datasets featuring multi-character talking videos within the same scene. To address these challenges, we introduce Bind-Your-Avatar, an MM-DiT-based model specifically designed for multi-talking-character video generation in the same scene. Specifically, we propose (1) A novel framework incorporating a fine-grained Embedding Router that binds `who' and `speak what' together to address the audio-to-character correspondence control. (2) Two methods for implementing a 3D-mask embedding router that enables frame-wise, fine-grained control of individual characters, with distinct loss functions based on observed geometric priors and a mask refinement strategy to enhance the accuracy and temporal smoothness of the predicted masks. (3) The first dataset, to the best of our knowledge, specifically constructed for multi-talking-character video generation, and accompanied by an open-source data processing pipeline, and (4) A benchmark for the dual-talking-characters video generation, with extensive experiments demonstrating superior performance over multiple state-of-the-art methods.
☆ Look to Locate: Vision-Based Multisensory Navigation with 3-D Digital Maps for GNSS-Challenged Environments
In Global Navigation Satellite System (GNSS)-denied environments such as indoor parking structures or dense urban canyons, achieving accurate and robust vehicle positioning remains a significant challenge. This paper proposes a cost-effective, vision-based multi-sensor navigation system that integrates monocular depth estimation, semantic filtering, and visual map registration (VMR) with 3-D digital maps. Extensive testing in real-world indoor and outdoor driving scenarios demonstrates the effectiveness of the proposed system, achieving sub-meter accuracy of 92% indoors and more than 80% outdoors, with consistent horizontal positioning and heading average root mean-square errors of approximately 0.98 m and 1.25 {\deg}, respectively. Compared to the baselines examined, the proposed solution significantly reduced drift and improved robustness under various conditions, achieving positioning accuracy improvements of approximately 88% on average. This work highlights the potential of cost-effective monocular vision systems combined with 3D maps for scalable, GNSS-independent navigation in land vehicles.
☆ CronusVLA: Transferring Latent Motion Across Time for Multi-Frame Prediction in Manipulation
Recent vision-language-action (VLA) models built on pretrained vision-language models (VLMs) have demonstrated strong generalization across manipulation tasks. However, they remain constrained by a single-frame observation paradigm and cannot fully benefit from the motion information offered by aggregated multi-frame historical observations, as the large vision-language backbone introduces substantial computational cost and inference latency. We propose CronusVLA, a unified framework that extends single-frame VLA models to the multi-frame paradigm through an efficient post-training stage. CronusVLA comprises three key components: (1) single-frame pretraining on large-scale embodied datasets with autoregressive action tokens prediction, which establishes an embodied vision-language foundation; (2) multi-frame encoding, adapting the prediction of vision-language backbones from discrete action tokens to motion features during post-training, and aggregating motion features from historical frames into a feature chunking; (3) cross-frame decoding, which maps the feature chunking to accurate actions via a shared decoder with cross-attention. By reducing redundant token computation and caching past motion features, CronusVLA achieves efficient inference. As an application of motion features, we further propose an action adaptation mechanism based on feature-action retrieval to improve model performance during finetuning. CronusVLA achieves state-of-the-art performance on SimplerEnv with 70.9% success rate, and 12.7% improvement over OpenVLA on LIBERO. Real-world Franka experiments also show the strong performance and robustness.
comment: 36 pages, 21 figures
☆ One Prototype Is Enough: Single-Prototype Activation for Interpretable Image Classification
In this paper, we propose ProtoSolo, a novel deep neural architecture for interpretable image classification inspired by prototypical networks such as ProtoPNet. Existing prototype networks usually rely on the collaborative decision-making of multiple prototypes to achieve the classification and interpretation of a single category. In contrast, ProtoSolo only requires the activation of a single prototype to complete the classification. This allows the network to explain each category decision by only providing the features that are most similar to the prototype of that category, significantly reducing the cognitive complexity of the explanation. Secondly, we propose a feature-based comparison method, which uses feature map instead of full-channel feature vector as the object of similarity comparison and prototype learning. This design enables ProtoSolo to utilize richer global information for classification while relying on a single prototype activation. In addition, we propose a non-prototype projection learning strategy, which preserves the information association between the prototype and the training image patches while avoiding the sharp change of the network structure caused by the projection operation, thus avoiding its negative impact on the classification performance. Experiments on the CUB-200-2011 and Stanford Cars datasets show that ProtoSolo achieves superior performance in classification tasks and reaches the best level in terms of cognitive complexity of explanations compared to state-of-the-art interpretable methods. The code is available at https://github.com/pyt19/ProtoSolo.
☆ KnowRL: Exploring Knowledgeable Reinforcement Learning for Factuality
Large Language Models (LLMs), particularly slow-thinking models, often exhibit severe hallucination, outputting incorrect content due to an inability to accurately recognize knowledge boundaries during reasoning. While Reinforcement Learning (RL) can enhance complex reasoning abilities, its outcome-oriented reward mechanism often lacks factual supervision over the thinking process, further exacerbating the hallucination problem. To address the high hallucination in slow-thinking models, we propose Knowledge-enhanced RL, KnowRL. KnowRL guides models to perform fact-based slow thinking by integrating a factuality reward, based on knowledge verification, into the RL training process, helping them recognize their knowledge boundaries. KnowRL guides models to perform fact-based slow thinking by integrating a factuality reward, based on knowledge verification, into the RL training process, helping them recognize their knowledge boundaries. This targeted factual input during RL training enables the model to learn and internalize fact-based reasoning strategies. By directly rewarding adherence to facts within the reasoning steps, KnowRL fosters a more reliable thinking process. Experimental results on three hallucination evaluation datasets and two reasoning evaluation datasets demonstrate that KnowRL effectively mitigates hallucinations in slow-thinking models while maintaining their original strong reasoning capabilities. Our code is available at https://github.com/zjunlp/KnowRL.
comment: Work in progress
☆ CoCo4D: Comprehensive and Complex 4D Scene Generation
Existing 4D synthesis methods primarily focus on object-level generation or dynamic scene synthesis with limited novel views, restricting their ability to generate multi-view consistent and immersive dynamic 4D scenes. To address these constraints, we propose a framework (dubbed as CoCo4D) for generating detailed dynamic 4D scenes from text prompts, with the option to include images. Our method leverages the crucial observation that articulated motion typically characterizes foreground objects, whereas background alterations are less pronounced. Consequently, CoCo4D divides 4D scene synthesis into two responsibilities: modeling the dynamic foreground and creating the evolving background, both directed by a reference motion sequence. Given a text prompt and an optional reference image, CoCo4D first generates an initial motion sequence utilizing video diffusion models. This motion sequence then guides the synthesis of both the dynamic foreground object and the background using a novel progressive outpainting scheme. To ensure seamless integration of the moving foreground object within the dynamic background, CoCo4D optimizes a parametric trajectory for the foreground, resulting in realistic and coherent blending. Extensive experiments show that CoCo4D achieves comparable or superior performance in 4D scene generation compared to existing methods, demonstrating its effectiveness and efficiency. More results are presented on our website https://colezwhy.github.io/coco4d/.
comment: 16 pages,10 figures
☆ Systematic Review of Pituitary Gland and Pituitary Adenoma Automatic Segmentation Techniques in Magnetic Resonance Imaging
Purpose: Accurate segmentation of both the pituitary gland and adenomas from magnetic resonance imaging (MRI) is essential for diagnosis and treatment of pituitary adenomas. This systematic review evaluates automatic segmentation methods for improving the accuracy and efficiency of MRI-based segmentation of pituitary adenomas and the gland itself. Methods: We reviewed 34 studies that employed automatic and semi-automatic segmentation methods. We extracted and synthesized data on segmentation techniques and performance metrics (such as Dice overlap scores). Results: The majority of reviewed studies utilized deep learning approaches, with U-Net-based models being the most prevalent. Automatic methods yielded Dice scores of 0.19--89.00\% for pituitary gland and 4.60--96.41\% for adenoma segmentation. Semi-automatic methods reported 80.00--92.10\% for pituitary gland and 75.90--88.36\% for adenoma segmentation. Conclusion: Most studies did not report important metrics such as MR field strength, age and adenoma size. Automated segmentation techniques such as U-Net-based models show promise, especially for adenoma segmentation, but further improvements are needed to achieve consistently good performance in small structures like the normal pituitary gland. Continued innovation and larger, diverse datasets are likely critical to enhancing clinical applicability.
☆ Systematic Comparison of Projection Methods for Monocular 3D Human Pose Estimation on Fisheye Images
Fisheye cameras offer robots the ability to capture human movements across a wider field of view (FOV) than standard pinhole cameras, making them particularly useful for applications in human-robot interaction and automotive contexts. However, accurately detecting human poses in fisheye images is challenging due to the curved distortions inherent to fisheye optics. While various methods for undistorting fisheye images have been proposed, their effectiveness and limitations for poses that cover a wide FOV has not been systematically evaluated in the context of absolute human pose estimation from monocular fisheye images. To address this gap, we evaluate the impact of pinhole, equidistant and double sphere camera models, as well as cylindrical projection methods, on 3D human pose estimation accuracy. We find that in close-up scenarios, pinhole projection is inadequate, and the optimal projection method varies with the FOV covered by the human pose. The usage of advanced fisheye models like the double sphere model significantly enhances 3D human pose estimation accuracy. We propose a heuristic for selecting the appropriate projection model based on the detection bounding box to enhance prediction quality. Additionally, we introduce and evaluate on our novel dataset FISHnCHIPS, which features 3D human skeleton annotations in fisheye images, including images from unconventional angles, such as extreme close-ups, ground-mounted cameras, and wide-FOV poses, available at: https://www.vision.rwth-aachen.de/fishnchips
comment: Presented at IEEE International Conference on Robotics and Automation 2025
☆ NeRF-based CBCT Reconstruction needs Normalization and Initialization
Cone Beam Computed Tomography (CBCT) is widely used in medical imaging. However, the limited number and intensity of X-ray projections make reconstruction an ill-posed problem with severe artifacts. NeRF-based methods have achieved great success in this task. However, they suffer from a local-global training mismatch between their two key components: the hash encoder and the neural network. Specifically, in each training step, only a subset of the hash encoder's parameters is used (local sparse), whereas all parameters in the neural network participate (global dense). Consequently, hash features generated in each step are highly misaligned, as they come from different subsets of the hash encoder. These misalignments from different training steps are then fed into the neural network, causing repeated inconsistent global updates in training, which leads to unstable training, slower convergence, and degraded reconstruction quality. Aiming to alleviate the impact of this local-global optimization mismatch, we introduce a Normalized Hash Encoder, which enhances feature consistency and mitigates the mismatch. Additionally, we propose a Mapping Consistency Initialization(MCI) strategy that initializes the neural network before training by leveraging the global mapping property from a well-trained model. The initialized neural network exhibits improved stability during early training, enabling faster convergence and enhanced reconstruction performance. Our method is simple yet effective, requiring only a few lines of code while substantially improving training efficiency on 128 CT cases collected from 4 different datasets, covering 7 distinct anatomical regions.
☆ Noise Consistency Training: A Native Approach for One-Step Generator in Learning Additional Controls
The pursuit of efficient and controllable high-quality content generation remains a central challenge in artificial intelligence-generated content (AIGC). While one-step generators, enabled by diffusion distillation techniques, offer excellent generation quality and computational efficiency, adapting them to new control conditions--such as structural constraints, semantic guidelines, or external inputs--poses a significant challenge. Conventional approaches often necessitate computationally expensive modifications to the base model and subsequent diffusion distillation. This paper introduces Noise Consistency Training (NCT), a novel and lightweight approach to directly integrate new control signals into pre-trained one-step generators without requiring access to original training images or retraining the base diffusion model. NCT operates by introducing an adapter module and employs a noise consistency loss in the noise space of the generator. This loss aligns the adapted model's generation behavior across noises that are conditionally dependent to varying degrees, implicitly guiding it to adhere to the new control. Theoretically, this training objective can be understood as minimizing the distributional distance between the adapted generator and the conditional distribution induced by the new conditions. NCT is modular, data-efficient, and easily deployable, relying only on the pre-trained one-step generator and a control signal model. Extensive experiments demonstrate that NCT achieves state-of-the-art controllable generation in a single forward pass, surpassing existing multi-step and distillation-based methods in both generation quality and computational efficiency. Code is available at https://github.com/Luo-Yihong/NCT
☆ Uncovering Conceptual Blindspots in Generative Image Models Using Sparse Autoencoders
Despite their impressive performance, generative image models trained on large-scale datasets frequently fail to produce images with seemingly simple concepts -- e.g., human hands or objects appearing in groups of four -- that are reasonably expected to appear in the training data. These failure modes have largely been documented anecdotally, leaving open the question of whether they reflect idiosyncratic anomalies or more structural limitations of these models. To address this, we introduce a systematic approach for identifying and characterizing "conceptual blindspots" -- concepts present in the training data but absent or misrepresented in a model's generations. Our method leverages sparse autoencoders (SAEs) to extract interpretable concept embeddings, enabling a quantitative comparison of concept prevalence between real and generated images. We train an archetypal SAE (RA-SAE) on DINOv2 features with 32,000 concepts -- the largest such SAE to date -- enabling fine-grained analysis of conceptual disparities. Applied to four popular generative models (Stable Diffusion 1.5/2.1, PixArt, and Kandinsky), our approach reveals specific suppressed blindspots (e.g., bird feeders, DVD discs, and whitespaces on documents) and exaggerated blindspots (e.g., wood background texture and palm trees). At the individual datapoint level, we further isolate memorization artifacts -- instances where models reproduce highly specific visual templates seen during training. Overall, we propose a theoretically grounded framework for systematically identifying conceptual blindspots in generative models by assessing their conceptual fidelity with respect to the underlying data-generating process.
☆ UltraAD: Fine-Grained Ultrasound Anomaly Classification via Few-Shot CLIP Adaptation
Precise anomaly detection in medical images is critical for clinical decision-making. While recent unsupervised or semi-supervised anomaly detection methods trained on large-scale normal data show promising results, they lack fine-grained differentiation, such as benign vs. malignant tumors. Additionally, ultrasound (US) imaging is highly sensitive to devices and acquisition parameter variations, creating significant domain gaps in the resulting US images. To address these challenges, we propose UltraAD, a vision-language model (VLM)-based approach that leverages few-shot US examples for generalized anomaly localization and fine-grained classification. To enhance localization performance, the image-level token of query visual prototypes is first fused with learnable text embeddings. This image-informed prompt feature is then further integrated with patch-level tokens, refining local representations for improved accuracy. For fine-grained classification, a memory bank is constructed from few-shot image samples and corresponding text descriptions that capture anatomical and abnormality-specific features. During training, the stored text embeddings remain frozen, while image features are adapted to better align with medical data. UltraAD has been extensively evaluated on three breast US datasets, outperforming state-of-the-art methods in both lesion localization and fine-grained medical classification. The code will be released upon acceptance.
☆ ReCoGNet: Recurrent Context-Guided Network for 3D MRI Prostate Segmentation
Prostate gland segmentation from T2-weighted MRI is a critical yet challenging task in clinical prostate cancer assessment. While deep learning-based methods have significantly advanced automated segmentation, most conventional approaches-particularly 2D convolutional neural networks (CNNs)-fail to leverage inter-slice anatomical continuity, limiting their accuracy and robustness. Fully 3D models offer improved spatial coherence but require large amounts of annotated data, which is often impractical in clinical settings. To address these limitations, we propose a hybrid architecture that models MRI sequences as spatiotemporal data. Our method uses a deep, pretrained DeepLabV3 backbone to extract high-level semantic features from each MRI slice and a recurrent convolutional head, built with ConvLSTM layers, to integrate information across slices while preserving spatial structure. This combination enables context-aware segmentation with improved consistency, particularly in data-limited and noisy imaging conditions. We evaluate our method on the PROMISE12 benchmark under both clean and contrast-degraded test settings. Compared to state-of-the-art 2D and 3D segmentation models, our approach demonstrates superior performance in terms of precision, recall, Intersection over Union (IoU), and Dice Similarity Coefficient (DSC), highlighting its potential for robust clinical deployment.
☆ Semantic Scene Graph for Ultrasound Image Explanation and Scanning Guidance
Understanding medical ultrasound imaging remains a long-standing challenge due to significant visual variability caused by differences in imaging and acquisition parameters. Recent advancements in large language models (LLMs) have been used to automatically generate terminology-rich summaries orientated to clinicians with sufficient physiological knowledge. Nevertheless, the increasing demand for improved ultrasound interpretability and basic scanning guidance among non-expert users, e.g., in point-of-care settings, has not yet been explored. In this study, we first introduce the scene graph (SG) for ultrasound images to explain image content to ordinary and provide guidance for ultrasound scanning. The ultrasound SG is first computed using a transformer-based one-stage method, eliminating the need for explicit object detection. To generate a graspable image explanation for ordinary, the user query is then used to further refine the abstract SG representation through LLMs. Additionally, the predicted SG is explored for its potential in guiding ultrasound scanning toward missing anatomies within the current imaging view, assisting ordinary users in achieving more standardized and complete anatomical exploration. The effectiveness of this SG-based image explanation and scanning guidance has been validated on images from the left and right neck regions, including the carotid and thyroid, across five volunteers. The results demonstrate the potential of the method to maximally democratize ultrasound by enhancing its interpretability and usability for ordinaries.
☆ Genome-Anchored Foundation Model Embeddings Improve Molecular Prediction from Histology Images
Precision oncology requires accurate molecular insights, yet obtaining these directly from genomics is costly and time-consuming for broad clinical use. Predicting complex molecular features and patient prognosis directly from routine whole-slide images (WSI) remains a major challenge for current deep learning methods. Here we introduce PathLUPI, which uses transcriptomic privileged information during training to extract genome-anchored histological embeddings, enabling effective molecular prediction using only WSIs at inference. Through extensive evaluation across 49 molecular oncology tasks using 11,257 cases among 20 cohorts, PathLUPI demonstrated superior performance compared to conventional methods trained solely on WSIs. Crucially, it achieves AUC $\geq$ 0.80 in 14 of the biomarker prediction and molecular subtyping tasks and C-index $\geq$ 0.70 in survival cohorts of 5 major cancer types. Moreover, PathLUPI embeddings reveal distinct cellular morphological signatures associated with specific genotypes and related biological pathways within WSIs. By effectively encoding molecular context to refine WSI representations, PathLUPI overcomes a key limitation of existing models and offers a novel strategy to bridge molecular insights with routine pathology workflows for wider clinical application.
comment: Under Review
☆ Recurrent Visual Feature Extraction and Stereo Attentions for CT Report Generation
Generating reports for computed tomography (CT) images is a challenging task, while similar to existing studies for medical image report generation, yet has its unique characteristics, such as spatial encoding of multiple images, alignment between image volume and texts, etc. Existing solutions typically use general 2D or 3D image processing techniques to extract features from a CT volume, where they firstly compress the volume and then divide the compressed CT slices into patches for visual encoding. These approaches do not explicitly account for the transformations among CT slices, nor do they effectively integrate multi-level image features, particularly those containing specific organ lesions, to instruct CT report generation (CTRG). In considering the strong correlation among consecutive slices in CT scans, in this paper, we propose a large language model (LLM) based CTRG method with recurrent visual feature extraction and stereo attentions for hierarchical feature modeling. Specifically, we use a vision Transformer to recurrently process each slice in a CT volume, and employ a set of attentions over the encoded slices from different perspectives to selectively obtain important visual information and align them with textual features, so as to better instruct an LLM for CTRG. Experiment results and further analysis on the benchmark M3D-Cap dataset show that our method outperforms strong baseline models and achieves state-of-the-art results, demonstrating its validity and effectiveness.
comment: 7 pages, 3 figures
☆ SAM2-SGP: Enhancing SAM2 for Medical Image Segmentation via Support-Set Guided Prompting
Although new vision foundation models such as Segment Anything Model 2 (SAM2) have significantly enhanced zero-shot image segmentation capabilities, reliance on human-provided prompts poses significant challenges in adapting SAM2 to medical image segmentation tasks. Moreover, SAM2's performance in medical image segmentation was limited by the domain shift issue, since it was originally trained on natural images and videos. To address these challenges, we proposed SAM2 with support-set guided prompting (SAM2-SGP), a framework that eliminated the need for manual prompts. The proposed model leveraged the memory mechanism of SAM2 to generate pseudo-masks using image-mask pairs from a support set via a Pseudo-mask Generation (PMG) module. We further introduced a novel Pseudo-mask Attention (PMA) module, which used these pseudo-masks to automatically generate bounding boxes and enhance localized feature extraction by guiding attention to relevant areas. Furthermore, a low-rank adaptation (LoRA) strategy was adopted to mitigate the domain shift issue. The proposed framework was evaluated on both 2D and 3D datasets across multiple medical imaging modalities, including fundus photography, X-ray, computed tomography (CT), magnetic resonance imaging (MRI), positron emission tomography (PET), and ultrasound. The results demonstrated a significant performance improvement over state-of-the-art models, such as nnUNet and SwinUNet, as well as foundation models, such as SAM2 and MedSAM2, underscoring the effectiveness of the proposed approach. Our code is publicly available at https://github.com/astlian9/SAM_Support.
☆ Video Compression for Spatiotemporal Earth System Data
Large-scale Earth system datasets, from high-resolution remote sensing imagery to spatiotemporal climate model outputs, exhibit characteristics analogous to those of standard videos. Their inherent spatial, temporal, and spectral redundancies can thus be readily exploited by established video compression techniques. Here, we present xarrayvideo, a Python library for compressing multichannel spatiotemporal datasets by encoding them as videos. Our approach achieves compression ratios of up to 250x while maintaining high fidelity by leveraging standard, well-optimized video codecs through ffmpeg. We demonstrate the library's effectiveness on four real-world multichannel spatiotemporal datasets: DynamicEarthNet (very high resolution Planet images), DeepExtremeCubes (high resolution Sentinel-2 images), ERA5 (weather reanalysis data), and the SimpleS2 dataset (high resolution multichannel Sentinel-2 images), achieving Peak Signal-to-Noise Ratios (PSNRs) of 55.86, 40.60, 46.58, and 43.23 dB at 0.1 bits per pixel per band (bpppb) and 65.91, 54.28, 62.90, and 55.04 dB at 1 bpppb. We are redistributing two of these datasets, DeepExtremeCubes (2.3 Tb) and DynamicEarthNet (525 Gb), in the machine-learning-ready and cloud-ready TACO format through HuggingFace at significantly reduced sizes (270 Gb and 8.5 Gb, respectively) without compromising quality (PSNR 55.77-56.65 and 60.15). No performance loss is observed when the compressed versions of these datasets are used in their respective deep learning-based downstream tasks (next step reflectance prediction and landcover segmentation). In conclusion, xarrayvideo presents an efficient solution for handling the rapidly growing size of Earth observation datasets, making advanced compression techniques accessible and practical to the Earth science community. The library is available for use at https://github.com/IPL-UV/xarrayvideo
☆ PEVLM: Parallel Encoding for Vision-Language Models
Vision-Language Models (VLMs) have demonstrated strong performance in video-language tasks, yet their application to long video understanding remains constrained by the quadratic complexity of standard attention mechanisms. In this paper, we propose \textbf{PEVLM}, a parallel encoding strategy specifically designed to improve the prefill efficiency of VLMs without requiring model finetuning. PEVLM partitions the input into block-wise segments with a shared sink, preserves full-attention positional embeddings, and aligns attention weights to mimic full-attention distributions. This design reduces attention computation from $O((T \times N)^2)$ to $O(T \times N)$ while maintaining high accuracy. Extensive experiments on the LongVideoBench benchmark show that PEVLM achieves up to 8.37\% accuracy improvement over existing inference-efficient methods and delivers up to 7.47x speedup in attention computation and 40\% reduction in end-to-end latency. Under strict latency constraints, PEVLM significantly outperforms baselines, raising accuracy from 23.26\% to 61.03\%. These results highlight PEVLM's effectiveness for low-latency, long-context video understanding, making it well-suited for real-world applications such as autonomous driving.
☆ HOIverse: A Synthetic Scene Graph Dataset With Human Object Interactions
When humans and robotic agents coexist in an environment, scene understanding becomes crucial for the agents to carry out various downstream tasks like navigation and planning. Hence, an agent must be capable of localizing and identifying actions performed by the human. Current research lacks reliable datasets for performing scene understanding within indoor environments where humans are also a part of the scene. Scene Graphs enable us to generate a structured representation of a scene or an image to perform visual scene understanding. To tackle this, we present HOIverse a synthetic dataset at the intersection of scene graph and human-object interaction, consisting of accurate and dense relationship ground truths between humans and surrounding objects along with corresponding RGB images, segmentation masks, depth images and human keypoints. We compute parametric relations between various pairs of objects and human-object pairs, resulting in an accurate and unambiguous relation definitions. In addition, we benchmark our dataset on state-of-the-art scene graph generation models to predict parametric relations and human-object interactions. Through this dataset, we aim to accelerate research in the field of scene understanding involving people.
☆ VideoPCDNet: Video Parsing and Prediction with Phase Correlation Networks
Understanding and predicting video content is essential for planning and reasoning in dynamic environments. Despite advancements, unsupervised learning of object representations and dynamics remains challenging. We present VideoPCDNet, an unsupervised framework for object-centric video decomposition and prediction. Our model uses frequency-domain phase correlation techniques to recursively parse videos into object components, which are represented as transformed versions of learned object prototypes, enabling accurate and interpretable tracking. By explicitly modeling object motion through a combination of frequency domain operations and lightweight learned modules, VideoPCDNet enables accurate unsupervised object tracking and prediction of future video frames. In our experiments, we demonstrate that VideoPCDNet outperforms multiple object-centric baseline models for unsupervised tracking and prediction on several synthetic datasets, while learning interpretable object and motion representations.
comment: Accepted for Publication at ICANN 2025
Self-Supervised Multimodal NeRF for Autonomous Driving
In this paper, we propose a Neural Radiance Fields (NeRF) based framework, referred to as Novel View Synthesis Framework (NVSF). It jointly learns the implicit neural representation of space and time-varying scene for both LiDAR and Camera. We test this on a real-world autonomous driving scenario containing both static and dynamic scenes. Compared to existing multimodal dynamic NeRFs, our framework is self-supervised, thus eliminating the need for 3D labels. For efficient training and faster convergence, we introduce heuristic-based image pixel sampling to focus on pixels with rich information. To preserve the local features of LiDAR points, a Double Gradient based mask is employed. Extensive experiments on the KITTI-360 dataset show that, compared to the baseline models, our framework has reported best performance on both LiDAR and Camera domain. Code of the model is available at https://github.com/gaurav00700/Selfsupervised-NVSF
☆ Filling of incomplete sinograms from sparse PET detector configurations using a residual U-Net
Long axial field-of-view PET scanners offer increased field-of-view and sensitivity compared to traditional PET scanners. However, a significant cost is associated with the densely packed photodetectors required for the extended-coverage systems, limiting clinical utilisation. To mitigate the cost limitations, alternative sparse system configurations have been proposed, allowing an extended field-of-view PET design with detector costs similar to a standard PET system, albeit at the expense of image quality. In this work, we propose a deep sinogram restoration network to fill in the missing sinogram data. Our method utilises a modified Residual U-Net, trained on clinical PET scans from a GE Signa PET/MR, simulating the removal of 50% of the detectors in a chessboard pattern (retaining only 25% of all lines of response). The model successfully recovers missing counts, with a mean absolute error below two events per pixel, outperforming 2D interpolation in both sinogram and reconstructed image domain. Notably, the predicted sinograms exhibit a smoothing effect, leading to reconstructed images lacking sharpness in finer details. Despite these limitations, the model demonstrates a substantial capacity for compensating for the undersampling caused by the sparse detector configuration. This proof-of-concept study suggests that sparse detector configurations, combined with deep learning techniques, offer a viable alternative to conventional PET scanner designs. This approach supports the development of cost-effective, total body PET scanners, allowing a significant step forward in medical imaging technology.
comment: 15 pages, 9 figures
☆ Implementing blind navigation through multi-modal sensing and gait guidance
By the year 2023, the global population of individuals with impaired vision has surpassed 220 million. People with impaired vision will find it difficult while finding path or avoiding obstacles, and must ask for auxiliary tools for help. Although traditional aids such as guide canes and guide dogs exist, they still have some shortcomings. In this paper, we present our wearable blind guiding device, what perform navigation guidance through our proposed Gait-based Guiding System. Our device innovatively integrates gait phase analysis for walking guide, and in terms of environmental perception, we use multimodal sensing to acquire diverse environment information. During the experiment, we conducted both indoor and outdoor experiments, and compared with the standard guide cane. The result shows superior performance of our device in blind guidance.
☆ Vision Transformer-Based Time-Series Image Reconstruction for Cloud-Filling Applications
Cloud cover in multispectral imagery (MSI) poses significant challenges for early season crop mapping, as it leads to missing or corrupted spectral information. Synthetic aperture radar (SAR) data, which is not affected by cloud interference, offers a complementary solution, but lack sufficient spectral detail for precise crop mapping. To address this, we propose a novel framework, Time-series MSI Image Reconstruction using Vision Transformer (ViT), to reconstruct MSI data in cloud-covered regions by leveraging the temporal coherence of MSI and the complementary information from SAR from the attention mechanism. Comprehensive experiments, using rigorous reconstruction evaluation metrics, demonstrate that Time-series ViT framework significantly outperforms baselines that use non-time-series MSI and SAR or time-series MSI without SAR, effectively enhancing MSI image reconstruction in cloud-covered regions.
comment: This paper has been accepted as a conference paper at the 2025 IEEE International Geoscience and Remote Sensing Symposium (IGARSS)
☆ Learning from Anatomy: Supervised Anatomical Pretraining (SAP) for Improved Metastatic Bone Disease Segmentation in Whole-Body MRI
The segmentation of metastatic bone disease (MBD) in whole-body MRI (WB-MRI) is a challenging problem. Due to varying appearances and anatomical locations of lesions, ambiguous boundaries, and severe class imbalance, obtaining reliable segmentations requires large, well-annotated datasets capturing lesion variability. Generating such datasets requires substantial time and expertise, and is prone to error. While self-supervised learning (SSL) can leverage large unlabeled datasets, learned generic representations often fail to capture the nuanced features needed for accurate lesion detection. In this work, we propose a Supervised Anatomical Pretraining (SAP) method that learns from a limited dataset of anatomical labels. First, an MRI-based skeletal segmentation model is developed and trained on WB-MRI scans from healthy individuals for high-quality skeletal delineation. Then, we compare its downstream efficacy in segmenting MBD on a cohort of 44 patients with metastatic prostate cancer, against both a baseline random initialization and a state-of-the-art SSL method. SAP significantly outperforms both the baseline and SSL-pretrained models, achieving a normalized surface Dice of 0.76 and a Dice coefficient of 0.64. The method achieved a lesion detection F2 score of 0.44, improving on 0.24 (baseline) and 0.31 (SSL). When considering only clinically relevant lesions larger than 1~ml, SAP achieves a detection sensitivity of 100% in 28 out of 32 patients. Learning bone morphology from anatomy yields an effective and domain-relevant inductive bias that can be leveraged for the downstream segmentation task of bone lesions. All code and models are made publicly available.
comment: This preprint is currently under review at *Computers in Biology and Medicine* (Elsevier). This version has not been peer-reviewed
☆ SMARTIES: Spectrum-Aware Multi-Sensor Auto-Encoder for Remote Sensing Images
From optical sensors to microwave radars, leveraging the complementary strengths of remote sensing (RS) sensors is crucial for achieving dense spatio-temporal monitoring of our planet. In contrast, recent deep learning models, whether task-specific or foundational, are often specific to single sensors or to fixed combinations: adapting such models to different sensory inputs requires both architectural changes and re-training, limiting scalability and generalization across multiple RS sensors. On the contrary, a single model able to modulate its feature representations to accept diverse sensors as input would pave the way to agile and flexible multi-sensor RS data processing. To address this, we introduce SMARTIES, a generic and versatile foundation model lifting sensor-specific/dependent efforts and enabling scalability and generalization to diverse RS sensors: SMARTIES projects data from heterogeneous sensors into a shared spectrum-aware space, enabling the use of arbitrary combinations of bands both for training and inference. To obtain sensor-agnostic representations, we train a single, unified transformer model reconstructing masked multi-sensor data with cross-sensor token mixup. On both single- and multi-modal tasks across diverse sensors, SMARTIES outperforms previous models that rely on sensor-specific pretraining. Our code and pretrained models are available at https://gsumbul.github.io/SMARTIES.
☆ Fake or Real, Can Robots Tell? Evaluating Embodied Vision-Language Models on Real and 3D-Printed Objects
Robotic scene understanding increasingly relies on vision-language models (VLMs) to generate natural language descriptions of the environment. In this work, we present a comparative study of captioning strategies for tabletop scenes captured by a robotic arm equipped with an RGB camera. The robot collects images of objects from multiple viewpoints, and we evaluate several models that generate scene descriptions. We compare the performance of various captioning models, like BLIP and VLMs. Our experiments examine the trade-offs between single-view and multi-view captioning, and difference between recognising real-world and 3D printed objects. We quantitatively evaluate object identification accuracy, completeness, and naturalness of the generated captions. Results show that VLMs can be used in robotic settings where common objects need to be recognised, but fail to generalise to novel representations. Our findings provide practical insights into deploying foundation models for embodied agents in real-world settings.
☆ MambaOutRS: A Hybrid CNN-Fourier Architecture for Remote Sensing Image Classification
Recent advances in deep learning for vision tasks have seen the rise of State Space Models (SSMs) like Mamba, celebrated for their linear scalability. However, their adaptation to 2D visual data often necessitates complex modifications that may diminish efficiency. In this paper, we introduce MambaOutRS, a novel hybrid convolutional architecture for remote sensing image classification that re-evaluates the necessity of recurrent SSMs. MambaOutRS builds upon stacked Gated CNN blocks for local feature extraction and introduces a novel Fourier Filter Gate (FFG) module that operates in the frequency domain to capture global contextual information efficiently. Our architecture employs a four-stage hierarchical design and was extensively evaluated on challenging remote sensing datasets: UC Merced, AID, NWPU-RESISC45, and EuroSAT. MambaOutRS consistently achieved state-of-the-art (SOTA) performance across these benchmarks. Notably, our MambaOutRS-t variant (24.0M parameters) attained the highest F1-scores of 98.41\% on UC Merced and 95.99\% on AID, significantly outperforming existing baselines, including larger transformer models and Mamba-based architectures, despite using considerably fewer parameters. An ablation study conclusively demonstrates the critical role of the Fourier Filter Gate in enhancing the model's ability to capture global spatial patterns, leading to robust and accurate classification. These results strongly suggest that the complexities of recurrent SSMs can be effectively superseded by a judicious combination of gated convolutions for spatial mixing and frequency-based gates for spectral global context. Thus, MambaOutRS provides a compelling and efficient paradigm for developing high-performance deep learning models in remote sensing and other vision domains, particularly where computational efficiency is paramount.
☆ ConCM: Consistency-Driven Calibration and Matching for Few-Shot Class-Incremental Learning
Few-Shot Class-Incremental Learning (FSCIL) requires models to adapt to novel classes with limited supervision while preserving learned knowledge. Existing prospective learning-based space construction methods reserve space to accommodate novel classes. However, prototype deviation and structure fixity limit the expressiveness of the embedding space. In contrast to fixed space reservation, we explore the optimization of feature-structure dual consistency and propose a Consistency-driven Calibration and Matching Framework (ConCM) that systematically mitigate the knowledge conflict inherent in FSCIL. Specifically, inspired by hippocampal associative memory, we design a memory-aware prototype calibration that extracts generalized semantic attributes from base classes and reintegrates them into novel classes to enhance the conceptual center consistency of features. Further, we propose dynamic structure matching, which adaptively aligns the calibrated features to a session-specific optimal manifold space, ensuring cross-session structure consistency. Theoretical analysis shows that our method satisfies both geometric optimality and maximum matching, thereby overcoming the need for class-number priors. On large-scale FSCIL benchmarks including mini-ImageNet and CUB200, ConCM achieves state-of-the-art performance, surpassing current optimal method by 3.20% and 3.68% in harmonic accuracy of incremental sessions.
comment: 9 pages, 5 figures(Excluding the appendix)
☆ General Methods Make Great Domain-specific Foundation Models: A Case-study on Fetal Ultrasound MICCAI 2025
With access to large-scale, unlabeled medical datasets, researchers are confronted with two questions: Should they attempt to pretrain a custom foundation model on this medical data, or use transfer-learning from an existing generalist model? And, if a custom model is pretrained, are novel methods required? In this paper we explore these questions by conducting a case-study, in which we train a foundation model on a large regional fetal ultrasound dataset of 2M images. By selecting the well-established DINOv2 method for pretraining, we achieve state-of-the-art results on three fetal ultrasound datasets, covering data from different countries, classification, segmentation, and few-shot tasks. We compare against a series of models pretrained on natural images, ultrasound images, and supervised baselines. Our results demonstrate two key insights: (i) Pretraining on custom data is worth it, even if smaller models are trained on less data, as scaling in natural image pretraining does not translate to ultrasound performance. (ii) Well-tuned methods from computer vision are making it feasible to train custom foundation models for a given medical domain, requiring no hyperparameter tuning and little methodological adaptation. Given these findings, we argue that a bias towards methodological innovation should be avoided when developing domain specific foundation models under common computational resource constraints.
comment: Submitted version of paper accepted at MICCAI 2025
☆ Identifying Physically Realizable Triggers for Backdoored Face Recognition Networks
Backdoor attacks embed a hidden functionality into deep neural networks, causing the network to display anomalous behavior when activated by a predetermined pattern in the input Trigger, while behaving well otherwise on public test data. Recent works have shown that backdoored face recognition (FR) systems can respond to natural-looking triggers like a particular pair of sunglasses. Such attacks pose a serious threat to the applicability of FR systems in high-security applications. We propose a novel technique to (1) detect whether an FR network is compromised with a natural, physically realizable trigger, and (2) identify such triggers given a compromised network. We demonstrate the effectiveness of our methods with a compromised FR network, where we are able to identify the trigger (e.g., green sunglasses or red hat) with a top-5 accuracy of 74%, whereas a naive brute force baseline achieves 56% accuracy.
comment: Accepted to ICIP 2021
☆ ReMAR-DS: Recalibrated Feature Learning for Metal Artifact Reduction and CT Domain Transformation
Artifacts in kilo-Voltage CT (kVCT) imaging degrade image quality, impacting clinical decisions. We propose a deep learning framework for metal artifact reduction (MAR) and domain transformation from kVCT to Mega-Voltage CT (MVCT). The proposed framework, ReMAR-DS, utilizes an encoder-decoder architecture with enhanced feature recalibration, effectively reducing artifacts while preserving anatomical structures. This ensures that only relevant information is utilized in the reconstruction process. By infusing recalibrated features from the encoder block, the model focuses on relevant spatial regions (e.g., areas with artifacts) and highlights key features across channels (e.g., anatomical structures), leading to improved reconstruction of artifact-corrupted regions. Unlike traditional MAR methods, our approach bridges the gap between high-resolution kVCT and artifact-resistant MVCT, enhancing radiotherapy planning. It produces high-quality MVCT-like reconstructions, validated through qualitative and quantitative evaluations. Clinically, this enables oncologists to rely on kVCT alone, reducing repeated high-dose MVCT scans and lowering radiation exposure for cancer patients.
comment: Accepted in 23rd International Conference on Image Analysis and Processing (ICIAP) 2025, Italy
☆ Visual hallucination detection in large vision-language models via evidential conflict
Despite the remarkable multimodal capabilities of Large Vision-Language Models (LVLMs), discrepancies often occur between visual inputs and textual outputs--a phenomenon we term visual hallucination. This critical reliability gap poses substantial risks in safety-critical Artificial Intelligence (AI) applications, necessitating a comprehensive evaluation benchmark and effective detection methods. Firstly, we observe that existing visual-centric hallucination benchmarks mainly assess LVLMs from a perception perspective, overlooking hallucinations arising from advanced reasoning capabilities. We develop the Perception-Reasoning Evaluation Hallucination (PRE-HAL) dataset, which enables the systematic evaluation of both perception and reasoning capabilities of LVLMs across multiple visual semantics, such as instances, scenes, and relations. Comprehensive evaluation with this new benchmark exposed more visual vulnerabilities, particularly in the more challenging task of relation reasoning. To address this issue, we propose, to the best of our knowledge, the first Dempster-Shafer theory (DST)-based visual hallucination detection method for LVLMs through uncertainty estimation. This method aims to efficiently capture the degree of conflict in high-level features at the model inference phase. Specifically, our approach employs simple mass functions to mitigate the computational complexity of evidence combination on power sets. We conduct an extensive evaluation of state-of-the-art LVLMs, LLaVA-v1.5, mPLUG-Owl2 and mPLUG-Owl3, with the new PRE-HAL benchmark. Experimental results indicate that our method outperforms five baseline uncertainty metrics, achieving average AUROC improvements of 4%, 10%, and 7% across three LVLMs. Our code is available at https://github.com/HT86159/Evidential-Conflict.
☆ Experimental Assessment of Neural 3D Reconstruction for Small UAV-based Applications
The increasing miniaturization of Unmanned Aerial Vehicles (UAVs) has expanded their deployment potential to indoor and hard-to-reach areas. However, this trend introduces distinct challenges, particularly in terms of flight dynamics and power consumption, which limit the UAVs' autonomy and mission capabilities. This paper presents a novel approach to overcoming these limitations by integrating Neural 3D Reconstruction (N3DR) with small UAV systems for fine-grained 3-Dimensional (3D) digital reconstruction of small static objects. Specifically, we design, implement, and evaluate an N3DR-based pipeline that leverages advanced models, i.e., Instant-ngp, Nerfacto, and Splatfacto, to improve the quality of 3D reconstructions using images of the object captured by a fleet of small UAVs. We assess the performance of the considered models using various imagery and pointcloud metrics, comparing them against the baseline Structure from Motion (SfM) algorithm. The experimental results demonstrate that the N3DR-enhanced pipeline significantly improves reconstruction quality, making it feasible for small UAVs to support high-precision 3D mapping and anomaly detection in constrained environments. In more general terms, our results highlight the potential of N3DR in advancing the capabilities of miniaturized UAV systems.
comment: 6 pages, 7 figures, 2 tables, accepted at IEEE International Symposium on Personal, Indoor and Mobile Radio Communications 2025
☆ SceneCrafter: Controllable Multi-View Driving Scene Editing CVPR 2025
Simulation is crucial for developing and evaluating autonomous vehicle (AV) systems. Recent literature builds on a new generation of generative models to synthesize highly realistic images for full-stack simulation. However, purely synthetically generated scenes are not grounded in reality and have difficulty in inspiring confidence in the relevance of its outcomes. Editing models, on the other hand, leverage source scenes from real driving logs, and enable the simulation of different traffic layouts, behaviors, and operating conditions such as weather and time of day. While image editing is an established topic in computer vision, it presents fresh sets of challenges in driving simulation: (1) the need for cross-camera 3D consistency, (2) learning ``empty street" priors from driving data with foreground occlusions, and (3) obtaining paired image tuples of varied editing conditions while preserving consistent layout and geometry. To address these challenges, we propose SceneCrafter, a versatile editor for realistic 3D-consistent manipulation of driving scenes captured from multiple cameras. We build on recent advancements in multi-view diffusion models, using a fully controllable framework that scales seamlessly to multi-modality conditions like weather, time of day, agent boxes and high-definition maps. To generate paired data for supervising the editing model, we propose a novel framework on top of Prompt-to-Prompt to generate geometrically consistent synthetic paired data with global edits. We also introduce an alpha-blending framework to synthesize data with local edits, leveraging a model trained on empty street priors through novel masked training and multi-view repaint paradigm. SceneCrafter demonstrates powerful editing capabilities and achieves state-of-the-art realism, controllability, 3D consistency, and scene editing quality compared to existing baselines.
comment: CVPR 2025
☆ HMSViT: A Hierarchical Masked Self-Supervised Vision Transformer for Corneal Nerve Segmentation and Diabetic Neuropathy Diagnosis
Diabetic Peripheral Neuropathy (DPN) affects nearly half of diabetes patients, requiring early detection. Corneal Confocal Microscopy (CCM) enables non-invasive diagnosis, but automated methods suffer from inefficient feature extraction, reliance on handcrafted priors, and data limitations. We propose HMSViT, a novel Hierarchical Masked Self-Supervised Vision Transformer (HMSViT) designed for corneal nerve segmentation and DPN diagnosis. Unlike existing methods, HMSViT employs pooling-based hierarchical and dual attention mechanisms with absolute positional encoding, enabling efficient multi-scale feature extraction by capturing fine-grained local details in early layers and integrating global context in deeper layers, all at a lower computational cost. A block-masked self supervised learning framework is designed for the HMSViT that reduces reliance on labelled data, enhancing feature robustness, while a multi-scale decoder is used for segmentation and classification by fusing hierarchical features. Experiments on clinical CCM datasets showed HMSViT achieves state-of-the-art performance, with 61.34% mIoU for nerve segmentation and 70.40% diagnostic accuracy, outperforming leading hierarchical models like the Swin Transformer and HiViT by margins of up to 6.39% in segmentation accuracy while using fewer parameters. Detailed ablation studies further reveal that integrating block-masked SSL with hierarchical multi-scale feature extraction substantially enhances performance compared to conventional supervised training. Overall, these comprehensive experiments confirm that HMSViT delivers excellent, robust, and clinically viable results, demonstrating its potential for scalable deployment in real-world diagnostic applications.
☆ USIS16K: High-Quality Dataset for Underwater Salient Instance Segmentation
Inspired by the biological visual system that selectively allocates attention to efficiently identify salient objects or regions, underwater salient instance segmentation (USIS) aims to jointly address the problems of where to look (saliency prediction) and what is there (instance segmentation) in underwater scenarios. However, USIS remains an underexplored challenge due to the inaccessibility and dynamic nature of underwater environments, as well as the scarcity of large-scale, high-quality annotated datasets. In this paper, we introduce USIS16K, a large-scale dataset comprising 16,151 high-resolution underwater images collected from diverse environmental settings and covering 158 categories of underwater objects. Each image is annotated with high-quality instance-level salient object masks, representing a significant advance in terms of diversity, complexity, and scalability. Furthermore, we provide benchmark evaluations on underwater object detection and USIS tasks using USIS16K. To facilitate future research in this domain, the dataset and benchmark models are publicly available.
comment: 8 pages 10 figures
☆ Surgery-R1: Advancing Surgical-VQLA with Reasoning Multimodal Large Language Model via Reinforcement Learning
In recent years, significant progress has been made in the field of surgical scene understanding, particularly in the task of Visual Question Localized-Answering in robotic surgery (Surgical-VQLA). However, existing Surgical-VQLA models lack deep reasoning capabilities and interpretability in surgical scenes, which limits their reliability and potential for development in clinical applications. To address this issue, inspired by the development of Reasoning Multimodal Large Language Models (MLLMs), we first build the Surgery-R1-54k dataset, including paired data for Visual-QA, Grounding-QA, and Chain-of-Thought (CoT). Then, we propose the first Reasoning MLLM for Surgical-VQLA (Surgery-R1). In our Surgery-R1, we design a two-stage fine-tuning mechanism to enable the basic MLLM with complex reasoning abilities by utilizing supervised fine-tuning (SFT) and reinforcement fine-tuning (RFT). Furthermore, for an efficient and high-quality rule-based reward system in our RFT, we design a Multimodal Coherence reward mechanism to mitigate positional illusions that may arise in surgical scenarios. Experiment results demonstrate that Surgery-R1 outperforms other existing state-of-the-art (SOTA) models in the Surgical-VQLA task and widely-used MLLMs, while also validating its reasoning capabilities and the effectiveness of our approach. The code and dataset will be organized in https://github.com/FiFi-HAO467/Surgery-R1.
☆ Stylized Structural Patterns for Improved Neural Network Pre-training
Modern deep learning models in computer vision require large datasets of real images, which are difficult to curate and pose privacy and legal concerns, limiting their commercial use. Recent works suggest synthetic data as an alternative, yet models trained with it often underperform. This paper proposes a two-step approach to bridge this gap. First, we propose an improved neural fractal formulation through which we introduce a new class of synthetic data. Second, we propose reverse stylization, a technique that transfers visual features from a small, license-free set of real images onto synthetic datasets, enhancing their effectiveness. We analyze the domain gap between our synthetic datasets and real images using Kernel Inception Distance (KID) and show that our method achieves a significantly lower distributional gap compared to existing synthetic datasets. Furthermore, our experiments across different tasks demonstrate the practical impact of this reduced gap. We show that pretraining the EDM2 diffusion model on our synthetic dataset leads to an 11% reduction in FID during image generation, compared to models trained on existing synthetic datasets, and a 20% decrease in autoencoder reconstruction error, indicating improved performance in data representation. Furthermore, a ViT-S model trained for classification on this synthetic data achieves over a 10% improvement in ImageNet-100 accuracy. Our work opens up exciting possibilities for training practical models when sufficiently large real training sets are not available.
☆ Assessing Risk of Stealing Proprietary Models for Medical Imaging Tasks MICCAI 2024
The success of deep learning in medical imaging applications has led several companies to deploy proprietary models in diagnostic workflows, offering monetized services. Even though model weights are hidden to protect the intellectual property of the service provider, these models are exposed to model stealing (MS) attacks, where adversaries can clone the model's functionality by querying it with a proxy dataset and training a thief model on the acquired predictions. While extensively studied on general vision tasks, the susceptibility of medical imaging models to MS attacks remains inadequately explored. This paper investigates the vulnerability of black-box medical imaging models to MS attacks under realistic conditions where the adversary lacks access to the victim model's training data and operates with limited query budgets. We demonstrate that adversaries can effectively execute MS attacks by using publicly available datasets. To further enhance MS capabilities with limited query budgets, we propose a two-step model stealing approach termed QueryWise. This method capitalizes on unlabeled data obtained from a proxy distribution to train the thief model without incurring additional queries. Evaluation on two medical imaging models for Gallbladder Cancer and COVID-19 classification substantiates the effectiveness of the proposed attack. The source code is available at https://github.com/rajankita/QueryWise.
comment: Accepted to MICCAI 2024
☆ Angio-Diff: Learning a Self-Supervised Adversarial Diffusion Model for Angiographic Geometry Generation
Vascular diseases pose a significant threat to human health, with X-ray angiography established as the gold standard for diagnosis, allowing for detailed observation of blood vessels. However, angiographic X-rays expose personnel and patients to higher radiation levels than non-angiographic X-rays, which are unwanted. Thus, modality translation from non-angiographic to angiographic X-rays is desirable. Data-driven deep approaches are hindered by the lack of paired large-scale X-ray angiography datasets. While making high-quality vascular angiography synthesis crucial, it remains challenging. We find that current medical image synthesis primarily operates at pixel level and struggles to adapt to the complex geometric structure of blood vessels, resulting in unsatisfactory quality of blood vessel image synthesis, such as disconnections or unnatural curvatures. To overcome this issue, we propose a self-supervised method via diffusion models to transform non-angiographic X-rays into angiographic X-rays, mitigating data shortages for data-driven approaches. Our model comprises a diffusion model that learns the distribution of vascular data from diffusion latent, a generator for vessel synthesis, and a mask-based adversarial module. To enhance geometric accuracy, we propose a parametric vascular model to fit the shape and distribution of blood vessels. The proposed method contributes a pipeline and a synthetic dataset for X-ray angiography. We conducted extensive comparative and ablation experiments to evaluate the Angio-Diff. The results demonstrate that our method achieves state-of-the-art performance in synthetic angiography image quality and more accurately synthesizes the geometric structure of blood vessels. The code is available at https://github.com/zfw-cv/AngioDiff.
☆ Deblurring in the Wild: A Real-World Dataset from Smartphone High-Speed Videos
We introduce the largest real-world image deblurring dataset constructed from smartphone slow-motion videos. Using 240 frames captured over one second, we simulate realistic long-exposure blur by averaging frames to produce blurry images, while using the temporally centered frame as the sharp reference. Our dataset contains over 42,000 high-resolution blur-sharp image pairs, making it approximately 10 times larger than widely used datasets, with 8 times the amount of different scenes, including indoor and outdoor environments, with varying object and camera motions. We benchmark multiple state-of-the-art (SOTA) deblurring models on our dataset and observe significant performance degradation, highlighting the complexity and diversity of our benchmark. Our dataset serves as a challenging new benchmark to facilitate robust and generalizable deblurring models.
comment: 8 pages (without references), 3 figures. Dataset https://huggingface.co/datasets/masterda/SloMoBlur
☆ Sampling Matters in Explanations: Towards Trustworthy Attribution Analysis Building Block in Visual Models through Maximizing Explanation Certainty
Image attribution analysis seeks to highlight the feature representations learned by visual models such that the highlighted feature maps can reflect the pixel-wise importance of inputs. Gradient integration is a building block in the attribution analysis by integrating the gradients from multiple derived samples to highlight the semantic features relevant to inferences. Such a building block often combines with other information from visual models such as activation or attention maps to form ultimate explanations. Yet, our theoretical analysis demonstrates that the extent to the alignment of the sample distribution in gradient integration with respect to natural image distribution gives a lower bound of explanation certainty. Prior works add noise into images as samples and the noise distributions can lead to low explanation certainty. Counter-intuitively, our experiment shows that extra information can saturate neural networks. To this end, building trustworthy attribution analysis needs to settle the sample distribution misalignment problem. Instead of adding extra information into input images, we present a semi-optimal sampling approach by suppressing features from inputs. The sample distribution by suppressing features is approximately identical to the distribution of natural images. Our extensive quantitative evaluation on large scale dataset ImageNet affirms that our approach is effective and able to yield more satisfactory explanations against state-of-the-art baselines throughout all experimental models.
comment: Code: https://anonymous.4open.science/r/sampling_matters_reproducibility-BB60/
☆ AMF-MedIT: An Efficient Align-Modulation-Fusion Framework for Medical Image-Tabular Data
Multimodal medical analysis combining image and tabular data has gained increasing attention. However, effective fusion remains challenging due to cross-modal discrepancies in feature dimensions and modality contributions, as well as the noise from high-dimensional tabular inputs. To address these problems, we present AMF-MedIT, an efficient Align-Modulation-Fusion framework for medical image and tabular data integration, particularly under data-scarce conditions. To harmonize dimension discrepancies and dynamically adjust modality contributions, we propose the Adaptive Modulation and Fusion (AMF) module, a novel modulation-based fusion paradigm with a streamlined architecture. We first derive the modulation objectives and introduce a modality confidence ratio, enabling the incorporation of prior knowledge into the fusion process. Then, the feature masks, density and leakage losses are proposed to achieve the modulation objectives. Additionally, we introduce FT-Mamba, a powerful tabular encoder leveraging a selective mechanism to handle noisy medical tabular data efficiently. Furthermore, interpretability studies are conducted to explore how different tabular encoders supervise the imaging modality during contrastive pretraining for the first time. Extensive experiments demonstrate that AMF-MedIT achieves a superior balance between multimodal performance and data efficiency while showing strong adaptability to incomplete tabular data. Interpretability analysis also highlights FT-Mamba's capabilities in extracting distinct tabular features and guiding the image encoder toward more accurate and flexible attention patterns.
☆ Mem4Nav: Boosting Vision-and-Language Navigation in Urban Environments with a Hierarchical Spatial-Cognition Long-Short Memory System
Vision-and-Language Navigation (VLN) in large-scale urban environments requires embodied agents to ground linguistic instructions in complex scenes and recall relevant experiences over extended time horizons. Prior modular pipelines offer interpretability but lack unified memory, while end-to-end (M)LLM agents excel at fusing vision and language yet remain constrained by fixed context windows and implicit spatial reasoning. We introduce \textbf{Mem4Nav}, a hierarchical spatial-cognition long-short memory system that can augment any VLN backbone. Mem4Nav fuses a sparse octree for fine-grained voxel indexing with a semantic topology graph for high-level landmark connectivity, storing both in trainable memory tokens embedded via a reversible Transformer. Long-term memory (LTM) compresses and retains historical observations at both octree and graph nodes, while short-term memory (STM) caches recent multimodal entries in relative coordinates for real-time obstacle avoidance and local planning. At each step, STM retrieval sharply prunes dynamic context, and, when deeper history is needed, LTM tokens are decoded losslessly to reconstruct past embeddings. Evaluated on Touchdown and Map2Seq across three backbones (modular, state-of-the-art VLN with prompt-based LLM, and state-of-the-art VLN with strided-attention MLLM), Mem4Nav yields 7-13 pp gains in Task Completion, sufficient SPD reduction, and >10 pp nDTW improvement. Ablations confirm the indispensability of both the hierarchical map and dual memory modules. Our codes are open-sourced via https://github.com/tsinghua-fib-lab/Mem4Nav.
☆ EvDetMAV: Generalized MAV Detection from Moving Event Cameras
Existing micro aerial vehicle (MAV) detection methods mainly rely on the target's appearance features in RGB images, whose diversity makes it difficult to achieve generalized MAV detection. We notice that different types of MAVs share the same distinctive features in event streams due to their high-speed rotating propellers, which are hard to see in RGB images. This paper studies how to detect different types of MAVs from an event camera by fully exploiting the features of propellers in the original event stream. The proposed method consists of three modules to extract the salient and spatio-temporal features of the propellers while filtering out noise from background objects and camera motion. Since there are no existing event-based MAV datasets, we introduce a novel MAV dataset for the community. This is the first event-based MAV dataset comprising multiple scenarios and different types of MAVs. Without training, our method significantly outperforms state-of-the-art methods and can deal with challenging scenarios, achieving a precision rate of 83.0\% (+30.3\%) and a recall rate of 81.5\% (+36.4\%) on the proposed testing dataset. The dataset and code are available at: https://github.com/WindyLab/EvDetMAV.
comment: 8 pages, 7 figures. This paper is accepted by IEEE Robotics and Automation Letters
☆ Virtual Memory for 3D Gaussian Splatting
3D Gaussian Splatting represents a breakthrough in the field of novel view synthesis. It establishes Gaussians as core rendering primitives for highly accurate real-world environment reconstruction. Recent advances have drastically increased the size of scenes that can be created. In this work, we present a method for rendering large and complex 3D Gaussian Splatting scenes using virtual memory. By leveraging well-established virtual memory and virtual texturing techniques, our approach efficiently identifies visible Gaussians and dynamically streams them to the GPU just in time for real-time rendering. Selecting only the necessary Gaussians for both storage and rendering results in reduced memory usage and effectively accelerates rendering, especially for highly complex scenes. Furthermore, we demonstrate how level of detail can be integrated into our proposed method to further enhance rendering speed for large-scale scenes. With an optimized implementation, we highlight key practical considerations and thoroughly evaluate the proposed technique and its impact on desktop and mobile devices.
comment: Based on the Master Thesis from Jonathan Haberl from 2024, Submitted to TVCG in Feb. 2025;
☆ A Global-Local Cross-Attention Network for Ultra-high Resolution Remote Sensing Image Semantic Segmentation
With the rapid development of ultra-high resolution (UHR) remote sensing technology, the demand for accurate and efficient semantic segmentation has increased significantly. However, existing methods face challenges in computational efficiency and multi-scale feature fusion. To address these issues, we propose GLCANet (Global-Local Cross-Attention Network), a lightweight segmentation framework designed for UHR remote sensing imagery.GLCANet employs a dual-stream architecture to efficiently fuse global semantics and local details while minimizing GPU usage. A self-attention mechanism enhances long-range dependencies, refines global features, and preserves local details for better semantic consistency. A masked cross-attention mechanism also adaptively fuses global-local features, selectively enhancing fine-grained details while exploiting global context to improve segmentation accuracy. Experimental results show that GLCANet outperforms state-of-the-art methods regarding accuracy and computational efficiency. The model effectively processes large, high-resolution images with a small memory footprint, providing a promising solution for real-world remote sensing applications.
☆ Generate the Forest before the Trees -- A Hierarchical Diffusion model for Climate Downscaling
Downscaling is essential for generating the high-resolution climate data needed for local planning, but traditional methods remain computationally demanding. Recent years have seen impressive results from AI downscaling models, particularly diffusion models, which have attracted attention due to their ability to generate ensembles and overcome the smoothing problem common in other AI methods. However, these models typically remain computationally intensive. We introduce a Hierarchical Diffusion Downscaling (HDD) model, which introduces an easily-extensible hierarchical sampling process to the diffusion framework. A coarse-to-fine hierarchy is imposed via a simple downsampling scheme. HDD achieves competitive accuracy on ERA5 reanalysis datasets and CMIP6 models, significantly reducing computational load by running on up to half as many pixels with competitive results. Additionally, a single model trained at 0.25{\deg} resolution transfers seamlessly across multiple CMIP6 models with much coarser resolution. HDD thus offers a lightweight alternative for probabilistic climate downscaling, facilitating affordable large-ensemble high-resolution climate projections. See a full code implementation at: https://github.com/HDD-Hierarchical-Diffusion-Downscaling/HDD-Hierarchical-Diffusion-Downscaling.
comment: 8 pages
☆ Emergence of Text Readability in Vision Language Models CVPR 2025
We investigate how the ability to recognize textual content within images emerges during the training of Vision-Language Models (VLMs). Our analysis reveals a critical phenomenon: the ability to read textual information in a given image \textbf{(text readability)} emerges abruptly after substantial training iterations, in contrast to semantic content understanding which develops gradually from the early stages of training. This delayed emergence may reflect how contrastive learning tends to initially prioritize general semantic understanding, with text-specific symbolic processing developing later. Interestingly, the ability to match images with rendered text develops even slower, indicating a deeper need for semantic integration. These findings highlight the need for tailored training strategies to accelerate robust text comprehension in VLMs, laying the groundwork for future research on optimizing multimodal learning.
comment: EVAL-FoMo Workshop @ CVPR 2025
☆ Online camera-pose-free stereo endoscopic tissue deformation recovery with tissue-invariant vision-biomechanics consistency
Tissue deformation recovery based on stereo endoscopic images is crucial for tool-tissue interaction analysis and benefits surgical navigation and autonomous soft tissue manipulation. Previous research suffers from the problems raised from camera motion, occlusion, large tissue deformation, lack of tissue-specific biomechanical priors, and reliance on offline processing. Unlike previous studies where the tissue geometry and deformation are represented by 3D points and displacements, the proposed method models tissue geometry as the 3D point and derivative map and tissue deformation as the 3D displacement and local deformation map. For a single surface point, 6 parameters are used to describe its rigid motion and 3 parameters for its local deformation. The method is formulated under the camera-centric setting, where all motions are regarded as the scene motion with respect to the camera. Inter-frame alignment is realized by optimizing the inter-frame deformation, making it unnecessary to estimate camera pose. The concept of the canonical map is introduced to optimize tissue geometry and deformation in an online approach. Quantitative and qualitative experiments were conducted using in vivo and ex vivo laparoscopic datasets. With the inputs of depth and optical flow, the method stably models tissue geometry and deformation even when the tissue is partially occluded or moving outside the field of view. Results show that the 3D reconstruction accuracy in the non-occluded and occluded areas reaches 0.37$\pm$0.27 mm and 0.39$\pm$0.21 mm in terms of surface distance, respectively. The method can also estimate surface strain distribution during various manipulations as an extra modality for mechanical-based analysis.
☆ NAADA: A Noise-Aware Attention Denoising Autoencoder for Dental Panoramic Radiographs
Convolutional denoising autoencoders (DAEs) are powerful tools for image restoration. However, they inherit a key limitation of convolutional neural networks (CNNs): they tend to recover low-frequency features, such as smooth regions, more effectively than high-frequency details. This leads to the loss of fine details, which is particularly problematic in dental radiographs where preserving subtle anatomical structures is crucial. While self-attention mechanisms can help mitigate this issue by emphasizing important features, conventional attention methods often prioritize features corresponding to cleaner regions and may overlook those obscured by noise. To address this limitation, we propose a noise-aware self-attention method, which allows the model to effectively focus on and recover key features even within noisy regions. Building on this approach, we introduce the noise-aware attention-enhanced denoising autoencoder (NAADA) network for enhancing noisy panoramic dental radiographs. Compared with the recent state of the art (and much heavier) methods like Uformer, MResDNN etc., our method improves the reconstruction of fine details, ensuring better image quality and diagnostic accuracy.
comment: 10 pages, 8 figures
♻ ☆ ObjCtrl-2.5D: Training-free Object Control with Camera Poses
This study aims to achieve more precise and versatile object control in image-to-video (I2V) generation. Current methods typically represent the spatial movement of target objects with 2D trajectories, which often fail to capture user intention and frequently produce unnatural results. To enhance control, we present ObjCtrl-2.5D, a training-free object control approach that uses a 3D trajectory, extended from a 2D trajectory with depth information, as a control signal. By modeling object movement as camera movement, ObjCtrl-2.5D represents the 3D trajectory as a sequence of camera poses, enabling object motion control using an existing camera motion control I2V generation model (CMC-I2V) without training. To adapt the CMC-I2V model originally designed for global motion control to handle local object motion, we introduce a module to isolate the target object from the background, enabling independent local control. In addition, we devise an effective way to achieve more accurate object control by sharing low-frequency warped latent within the object's region across frames. Extensive experiments demonstrate that ObjCtrl-2.5D significantly improves object control accuracy compared to training-free methods and offers more diverse control capabilities than training-based approaches using 2D trajectories, enabling complex effects like object rotation. Code and results are available at https://wzhouxiff.github.io/projects/ObjCtrl-2.5D/.
comment: Project Page: https://wzhouxiff.github.io/projects/ObjCtrl-2.5D/
♻ ☆ Two-Stream Spatial-Temporal Transformer Framework for Person Identification via Natural Conversational Keypoints
In the age of AI-driven generative technologies, traditional biometric recognition systems face unprecedented challenges, particularly from sophisticated deepfake and face reenactment techniques. In this study, we propose a Two-Stream Spatial-Temporal Transformer Framework for person identification using upper body keypoints visible during online conversations, which we term conversational keypoints. Our framework processes both spatial relationships between keypoints and their temporal evolution through two specialized branches: a Spatial Transformer (STR) that learns distinctive structural patterns in keypoint configurations, and a Temporal Transformer (TTR) that captures sequential motion patterns. Using the state-of-the-art Sapiens pose estimator, we extract 133 keypoints (based on COCO-WholeBody format) representing facial features, head pose, and hand positions. The framework was evaluated on a dataset of 114 individuals engaged in natural conversations, achieving recognition accuracies of 80.12% for the spatial stream, 63.61% for the temporal stream. We then explored two fusion strategies: a shared loss function approach achieving 82.22% accuracy, and a feature-level fusion method that concatenates feature maps from both streams, significantly improving performance to 94.86%. By jointly modeling both static anatomical relationships and dynamic movement patterns, our approach learns comprehensive identity signatures that are more robust to spoofing than traditional appearance-based methods.
comment: I would like to withdraw this submission due to the need for substantial revisions in the results and analysis. I plan to correct and improve the study and submit a more complete version in the near future
♻ ☆ Aligning Anime Video Generation with Human Feedback
Anime video generation faces significant challenges due to the scarcity of anime data and unusual motion patterns, leading to issues such as motion distortion and flickering artifacts, which result in misalignment with human preferences. Existing reward models, designed primarily for real-world videos, fail to capture the unique appearance and consistency requirements of anime. In this work, we propose a pipeline to enhance anime video generation by leveraging human feedback for better alignment. Specifically, we construct the first multi-dimensional reward dataset for anime videos, comprising 30k human-annotated samples that incorporating human preferences for both visual appearance and visual consistency. Based on this, we develop AnimeReward, a powerful reward model that employs specialized vision-language models for different evaluation dimensions to guide preference alignment. Furthermore, we introduce Gap-Aware Preference Optimization (GAPO), a novel training method that explicitly incorporates preference gaps into the optimization process, enhancing alignment performance and efficiency. Extensive experiment results show that AnimeReward outperforms existing reward models, and the inclusion of GAPO leads to superior alignment in both quantitative benchmarks and human evaluations, demonstrating the effectiveness of our pipeline in enhancing anime video quality. Our code and dataset are publicly available at https://github.com/bilibili/Index-anisora.
comment: 10 pages, 7 figures, 7 tables
♻ ☆ RA-NeRF: Robust Neural Radiance Field Reconstruction with Accurate Camera Pose Estimation under Complex Trajectories
Neural Radiance Fields (NeRF) and 3D Gaussian Splatting (3DGS) have emerged as powerful tools for 3D reconstruction and SLAM tasks. However, their performance depends heavily on accurate camera pose priors. Existing approaches attempt to address this issue by introducing external constraints but fall short of achieving satisfactory accuracy, particularly when camera trajectories are complex. In this paper, we propose a novel method, RA-NeRF, capable of predicting highly accurate camera poses even with complex camera trajectories. Following the incremental pipeline, RA-NeRF reconstructs the scene using NeRF with photometric consistency and incorporates flow-driven pose regulation to enhance robustness during initialization and localization. Additionally, RA-NeRF employs an implicit pose filter to capture the camera movement pattern and eliminate the noise for pose estimation. To validate our method, we conduct extensive experiments on the Tanks\&Temple dataset for standard evaluation, as well as the NeRFBuster dataset, which presents challenging camera pose trajectories. On both datasets, RA-NeRF achieves state-of-the-art results in both camera pose estimation and visual quality, demonstrating its effectiveness and robustness in scene reconstruction under complex pose trajectories.
comment: IROS 2025
♻ ☆ Grounding Beyond Detection: Enhancing Contextual Understanding in Embodied 3D Grounding
Embodied 3D grounding aims to localize target objects described in human instructions from ego-centric viewpoint. Most methods typically follow a two-stage paradigm where a trained 3D detector's optimized backbone parameters are used to initialize a grounding model. In this study, we explore a fundamental question: Does embodied 3D grounding benefit enough from detection? To answer this question, we assess the grounding performance of detection models using predicted boxes filtered by the target category. Surprisingly, these detection models without any instruction-specific training outperform the grounding models explicitly trained with language instructions. This indicates that even category-level embodied 3D grounding may not be well resolved, let alone more fine-grained context-aware grounding. Motivated by this finding, we propose DEGround, which shares DETR queries as object representation for both DEtection and Grounding and enables the grounding to benefit from basic category classification and box detection. Based on this framework, we further introduce a regional activation grounding module that highlights instruction-related regions and a query-wise modulation module that incorporates sentence-level semantic into the query representation, strengthening the context-aware understanding of language instructions. Remarkably, DEGround outperforms state-of-the-art model BIP3D by 7.52% at overall accuracy on the EmbodiedScan validation set. The source code will be publicly available at https://github.com/zyn213/DEGround.
comment: 1st place on EmbodiedScan visual grounding
♻ ☆ Beyond Reconstruction: A Physics Based Neural Deferred Shader for Photo-realistic Rendering
Deep learning based rendering has achieved major improvements in photo-realistic image synthesis, with potential applications including visual effects in movies and photo-realistic scene building in video games. However, a significant limitation is the difficulty of decomposing the illumination and material parameters, which limits such methods to reconstructing an input scene, without any possibility to control these parameters. This paper introduces a novel physics based neural deferred shading pipeline to decompose the data-driven rendering process, learn a generalizable shading function to produce photo-realistic results for shading and relighting tasks; we also propose a shadow estimator to efficiently mimic shadowing effects. Our model achieves improved performance compared to classical models and a state-of-art neural shading model, and enables generalizable photo-realistic shading from arbitrary illumination input.
♻ ☆ ASR-enhanced Multimodal Representation Learning for Cross-Domain Product Retrieval
E-commerce is increasingly multimedia-enriched, with products exhibited in a broad-domain manner as images, short videos, or live stream promotions. A unified and vectorized cross-domain production representation is essential. Due to large intra-product variance and high inter-product similarity in the broad-domain scenario, a visual-only representation is inadequate. While Automatic Speech Recognition (ASR) text derived from the short or live-stream videos is readily accessible, how to de-noise the excessively noisy text for multimodal representation learning is mostly untouched. We propose ASR-enhanced Multimodal Product Representation Learning (AMPere). In order to extract product-specific information from the raw ASR text, AMPere uses an easy-to-implement LLM-based ASR text summarizer. The LLM-summarized text, together with visual data, is then fed into a multi-branch network to generate compact multimodal embeddings. Extensive experiments on a large-scale tri-domain dataset verify the effectiveness of AMPere in obtaining a unified multimodal product representation that clearly improves cross-domain product retrieval.
comment: accepted for publication as a REGULAR paper in the IEEE Transactions on Multimedia
♻ ☆ IgCONDA-PET: Weakly-Supervised PET Anomaly Detection using Implicitly-Guided Attention-Conditional Counterfactual Diffusion Modeling -- a Multi-Center, Multi-Cancer, and Multi-Tracer Study
Minimizing the need for pixel-level annotated data to train PET lesion detection and segmentation networks is highly desired and can be transformative, given time and cost constraints associated with expert annotations. Current unsupervised or weakly-supervised anomaly detection methods rely on autoencoder or generative adversarial networks (GANs) trained only on healthy data. While these approaches reduce annotation dependency, GAN-based methods are notably more challenging to train than non-GAN alternatives (such as autoencoders) due to issues such as the simultaneous optimization of two competing networks, mode collapse, and training instability. In this paper, we present the weakly-supervised $\textbf{I}$mplicitly-$\textbf{g}$uided $\textbf{CO}$u$\textbf{N}$terfactual diffusion model for $\textbf{D}$etecting $\textbf{A}$nomalies in $\textbf{PET}$ images (IgCONDA-PET). The solution is developed and validated using PET scans from six retrospective cohorts consisting of a total of 2652 cases (multi-cancer, multi-tracer) containing both local and public datasets (spanning multiple centers). The training is conditioned on image class labels (healthy vs. unhealthy) via attention modules, and we employ implicit diffusion guidance. We perform counterfactual generation which facilitates "unhealthy-to-healthy" domain translation by generating a synthetic, healthy version of an unhealthy input image, enabling the detection of anomalies through the calculated differences. The performance of our method was compared against several other deep learning based weakly-supervised or unsupervised methods as well as traditional methods like 41% SUV$_\text{max}$ thresholding. We also highlight the importance of incorporating attention modules in our network for the detection of small anomalies. The code is publicly available at: https://github.com/ahxmeds/IgCONDA-PET.git.
comment: 48 pages, 13 figures, 4 tables
♻ ☆ Light of Normals: Unified Feature Representation for Universal Photometric Stereo
Universal photometric stereo (PS) aims to recover high-quality surface normals from objects under arbitrary lighting conditions without relying on specific illumination models. Despite recent advances such as SDM-UniPS and Uni MS-PS, two fundamental challenges persist: 1) the deep coupling between varying illumination and surface normal features, where ambiguity in observed intensity makes it difficult to determine whether brightness variations stem from lighting changes or surface orientation; and 2) the preservation of high-frequency geometric details in complex surfaces, where intricate geometries create self-shadowing, inter-reflections, and subtle normal variations that conventional feature processing operations struggle to capture accurately.
comment: Home: https://houyuanchen111.github.io/lino.github.io Github: https://github.com/houyuanchen111/LINO_UniPS HuggingFace Demo: https://huggingface.co/spaces/houyuanchen/lino
♻ ☆ MAMMA: Markerless & Automatic Multi-Person Motion Action Capture
We present MAMMA, a markerless motion-capture pipeline that accurately recovers SMPL-X parameters from multi-view video of two-person interaction sequences. Traditional motion-capture systems rely on physical markers. Although they offer high accuracy, their requirements of specialized hardware, manual marker placement, and extensive post-processing make them costly and time-consuming. Recent learning-based methods attempt to overcome these limitations, but most are designed for single-person capture, rely on sparse keypoints, or struggle with occlusions and physical interactions. In this work, we introduce a method that predicts dense 2D surface landmarks conditioned on segmentation masks, enabling person-specific correspondence estimation even under heavy occlusion. We employ a novel architecture that exploits learnable queries for each landmark. We demonstrate that our approach can handle complex person--person interaction and offers greater accuracy than existing methods. To train our network, we construct a large, synthetic multi-view dataset combining human motions from diverse sources, including extreme poses, hand motions, and close interactions. Our dataset yields high-variability synthetic sequences with rich body contact and occlusion, and includes SMPL-X ground-truth annotations with dense 2D landmarks. The result is a system capable of capturing human motion without the need for markers. Our approach offers competitive reconstruction quality compared to commercial marker-based motion-capture solutions, without the extensive manual cleanup. Finally, we address the absence of common benchmarks for dense-landmark prediction and markerless motion capture by introducing two evaluation settings built from real multi-view sequences. We will release our dataset, benchmark, method, training code, and pre-trained model weights for research purposes.
♻ ☆ LoRA-Edit: Controllable First-Frame-Guided Video Editing via Mask-Aware LoRA Fine-Tuning
Video editing using diffusion models has achieved remarkable results in generating high-quality edits for videos. However, current methods often rely on large-scale pretraining, limiting flexibility for specific edits. First-frame-guided editing provides control over the first frame, but lacks flexibility over subsequent frames. To address this, we propose a mask-based LoRA (Low-Rank Adaptation) tuning method that adapts pretrained Image-to-Video (I2V) models for flexible video editing. Our approach preserves background regions while enabling controllable edits propagation. This solution offers efficient and adaptable video editing without altering the model architecture. To better steer this process, we incorporate additional references, such as alternate viewpoints or representative scene states, which serve as visual anchors for how content should unfold. We address the control challenge using a mask-driven LoRA tuning strategy that adapts a pre-trained image-to-video model to the editing context. The model must learn from two distinct sources: the input video provides spatial structure and motion cues, while reference images offer appearance guidance. A spatial mask enables region-specific learning by dynamically modulating what the model attends to, ensuring that each area draws from the appropriate source. Experimental results show our method achieves superior video editing performance compared to state-of-the-art methods. Project Page: https://cjeen.github.io/LoraEditPaper
comment: 12 pages
♻ ☆ ReconX: Reconstruct Any Scene from Sparse Views with Video Diffusion Model
Advancements in 3D scene reconstruction have transformed 2D images from the real world into 3D models, producing realistic 3D results from hundreds of input photos. Despite great success in dense-view reconstruction scenarios, rendering a detailed scene from insufficient captured views is still an ill-posed optimization problem, often resulting in artifacts and distortions in unseen areas. In this paper, we propose ReconX, a novel 3D scene reconstruction paradigm that reframes the ambiguous reconstruction challenge as a temporal generation task. The key insight is to unleash the strong generative prior of large pre-trained video diffusion models for sparse-view reconstruction. However, 3D view consistency struggles to be accurately preserved in directly generated video frames from pre-trained models. To address this, given limited input views, the proposed ReconX first constructs a global point cloud and encodes it into a contextual space as the 3D structure condition. Guided by the condition, the video diffusion model then synthesizes video frames that are both detail-preserved and exhibit a high degree of 3D consistency, ensuring the coherence of the scene from various perspectives. Finally, we recover the 3D scene from the generated video through a confidence-aware 3D Gaussian Splatting optimization scheme. Extensive experiments on various real-world datasets show the superiority of our ReconX over state-of-the-art methods in terms of quality and generalizability.
comment: Project page: https://liuff19.github.io/ReconX
♻ ☆ FOCoOp: Enhancing Out-of-Distribution Robustness in Federated Prompt Learning for Vision-Language Models ICML25
Federated prompt learning (FPL) for vision-language models is a powerful approach to collaboratively adapt models across distributed clients while preserving data privacy. However, existing FPL approaches suffer from a trade-off between performance and robustness, particularly in out-of-distribution (OOD) shifts, limiting their reliability in real-world scenarios. The inherent in-distribution (ID) data heterogeneity among different clients makes it more challenging to maintain this trade-off. To fill this gap, we introduce a Federated OOD-aware Context Optimization (FOCoOp) framework, which captures diverse distributions among clients using ID global prompts, local prompts, and OOD prompts. Specifically, FOCoOp leverages three sets of prompts to create both class-level and distribution-level separations, which adapt to OOD shifts through bi-level distributionally robust optimization. Additionally, FOCoOp improves the discrimination consistency among clients, i.e., calibrating global prompts, seemingly OOD prompts, and OOD prompts by semi-unbalanced optimal transport. The extensive experiments on real-world datasets demonstrate that FOCoOp effectively captures decentralized heterogeneous distributions and enhances robustness of different OOD shifts. The project is available at GitHub.
comment: Accepted by ICML25
♻ ☆ GCE-Pose: Global Context Enhancement for Category-level Object Pose Estimation CVPR 2025
A key challenge in model-free category-level pose estimation is the extraction of contextual object features that generalize across varying instances within a specific category. Recent approaches leverage foundational features to capture semantic and geometry cues from data. However, these approaches fail under partial visibility. We overcome this with a first-complete-then-aggregate strategy for feature extraction utilizing class priors. In this paper, we present GCE-Pose, a method that enhances pose estimation for novel instances by integrating category-level global context prior. GCE-Pose performs semantic shape reconstruction with a proposed Semantic Shape Reconstruction (SSR) module. Given an unseen partial RGB-D object instance, our SSR module reconstructs the instance's global geometry and semantics by deforming category-specific 3D semantic prototypes through a learned deep Linear Shape Model. We further introduce a Global Context Enhanced (GCE) feature fusion module that effectively fuses features from partial RGB-D observations and the reconstructed global context. Extensive experiments validate the impact of our global context prior and the effectiveness of the GCE fusion module, demonstrating that GCE-Pose significantly outperforms existing methods on challenging real-world datasets HouseCat6D and NOCS-REAL275. Our project page is available at https://colin-de.github.io/GCE-Pose/.
comment: CVPR 2025 accepted
♻ ☆ crossMoDA Challenge: Evolution of Cross-Modality Domain Adaptation Techniques for Vestibular Schwannoma and Cochlea Segmentation from 2021 to 2023
The cross-Modality Domain Adaptation (crossMoDA) challenge series, initiated in 2021 in conjunction with the International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI), focuses on unsupervised cross-modality segmentation, learning from contrast-enhanced T1 (ceT1) and transferring to T2 MRI. The task is an extreme example of domain shift chosen to serve as a meaningful and illustrative benchmark. From a clinical application perspective, it aims to automate Vestibular Schwannoma (VS) and cochlea segmentation on T2 scans for more cost-effective VS management. Over time, the challenge objectives have evolved to enhance its clinical relevance. The challenge evolved from using single-institutional data and basic segmentation in 2021 to incorporating multi-institutional data and Koos grading in 2022, and by 2023, it included heterogeneous routine data and sub-segmentation of intra- and extra-meatal tumour components. In this work, we report the findings of the 2022 and 2023 editions and perform a retrospective analysis of the challenge progression over the years. The observations from the successive challenge contributions indicate that the number of outliers decreases with an expanding dataset. This is notable since the diversity of scanning protocols of the datasets concurrently increased. The winning approach of the 2023 edition reduced the number of outliers on the 2021 and 2022 testing data, demonstrating how increased data heterogeneity can enhance segmentation performance even on homogeneous data. However, the cochlea Dice score declined in 2023, likely due to the added complexity from tumour sub-annotations affecting overall segmentation performance. While progress is still needed for clinically acceptable VS segmentation, the plateauing performance suggests that a more challenging cross-modal task may better serve future benchmarking.
♻ ☆ FusionForce: End-to-end Differentiable Neural-Symbolic Layer for Trajectory Prediction
We propose end-to-end differentiable model that predicts robot trajectories on rough offroad terrain from camera images and/or lidar point clouds. The model integrates a learnable component that predicts robot-terrain interaction forces with a neural-symbolic layer that enforces the laws of classical mechanics and consequently improves generalization on out-of-distribution data. The neural-symbolic layer includes a differentiable physics engine that computes the robot's trajectory by querying these forces at the points of contact with the terrain. As the proposed architecture comprises substantial geometrical and physics priors, the resulting model can also be seen as a learnable physics engine conditioned on real sensor data that delivers $10^4$ trajectories per second. We argue and empirically demonstrate that this architecture reduces the sim-to-real gap and mitigates out-of-distribution sensitivity. The differentiability, in conjunction with the rapid simulation speed, makes the model well-suited for various applications including model predictive control, trajectory shooting, supervised and reinforcement learning, or SLAM.
comment: Code: https://github.com/ctu-vras/fusionforce
♻ ☆ AI-based Multimodal Biometrics for Detecting Smartphone Distractions: Application to Online Learning
This work investigates the use of multimodal biometrics to detect distractions caused by smartphone use during tasks that require sustained attention, with a focus on computer-based online learning. Although the methods are applicable to various domains, such as autonomous driving, we concentrate on the challenges learners face in maintaining engagement amid internal (e.g., motivation), system-related (e.g., course design) and contextual (e.g., smartphone use) factors. Traditional learning platforms often lack detailed behavioral data, but Multimodal Learning Analytics (MMLA) and biosensors provide new insights into learner attention. We propose an AI-based approach that leverages physiological signals and head pose data to detect phone use. Our results show that single biometric signals, such as brain waves or heart rate, offer limited accuracy, while head pose alone achieves 87%. A multimodal model combining all signals reaches 91% accuracy, highlighting the benefits of integration. We conclude by discussing the implications and limitations of deploying these models for real-time support in online learning environments.
comment: Accepted in EC-TEL25: 20th European Conference on Technology Enhanced Learning, Newcastle and Durham, UK, 15-19 September 2025
♻ ☆ Contactless Cardiac Pulse Monitoring Using Event Cameras
Time event cameras are a novel technology for recording scene information at extremely low latency and with low power consumption. Event cameras output a stream of events that encapsulate pixel-level light intensity changes within the scene, capturing information with a higher dynamic range and temporal resolution than traditional cameras. This study investigates the contact-free reconstruction of an individual's cardiac pulse signal from time event recording of their face using a supervised convolutional neural network (CNN) model. An end-to-end model is trained to extract the cardiac signal from a two-dimensional representation of the event stream, with model performance evaluated based on the accuracy of the calculated heart rate. The experimental results confirm that physiological cardiac information in the facial region is effectively preserved within the event stream, showcasing the potential of this novel sensor for remote heart rate monitoring. The model trained on event frames achieves a root mean square error (RMSE) of 3.32 beats per minute (bpm) compared to the RMSE of 2.92 bpm achieved by the baseline model trained on standard camera frames. Furthermore, models trained on event frames generated at 60 and 120 FPS outperformed the 30 FPS standard camera results, achieving an RMSE of 2.54 and 2.13 bpm, respectively.
♻ ☆ Diff-Def: Diffusion-Generated Deformation Fields for Conditional Atlases
Anatomical atlases are widely used for population studies and analysis. Conditional atlases target a specific sub-population defined via certain conditions, such as demographics or pathologies, and allow for the investigation of fine-grained anatomical differences like morphological changes associated with ageing or disease. Existing approaches use either registration-based methods that are often unable to handle large anatomical variations or generative adversarial models, which are challenging to train since they can suffer from training instabilities. Instead of generating atlases directly in as intensities, we propose using latent diffusion models to generate deformation fields, which transform a general population atlas into one representing a specific sub-population. Our approach ensures structural integrity, enhances interpretability and avoids hallucinations that may arise during direct image synthesis by generating this deformation field and regularising it using a neighbourhood of images. We compare our method to several state-of-the-art atlas generation methods using brain MR images from the UK Biobank. Our method generates highly realistic atlases with smooth transformations and high anatomical fidelity, outperforming existing baselines. We demonstrate the quality of these atlases through comprehensive evaluations, including quantitative metrics for anatomical accuracy, perceptual similarity, and qualitative analyses displaying the consistency and realism of the generated atlases.
♻ ☆ ConciseHint: Boosting Efficient Reasoning via Continuous Concise Hints during Generation
Recent advancements in large reasoning models (LRMs) like DeepSeek-R1 and OpenAI o1 series have achieved notable performance enhancements on complex reasoning tasks by scaling up the generation length by Chain-of-Thought (CoT). However, an emerging issue is their inclination to produce excessively verbose reasoning processes, leading to the inefficiency problem. Existing literature on improving efficiency mainly adheres to the before-reasoning paradigms such as prompting and reasoning or fine-tuning and reasoning, but ignores the promising direction of directly encouraging the model to speak concisely by intervening during the generation of reasoning. In order to fill the blank, we propose a framework dubbed ConciseHint, which continuously encourages the reasoning model to speak concisely by injecting the textual hint (manually designed or trained on the concise data) during the token generation of the reasoning process. Besides, ConciseHint is adaptive to the complexity of the query by adaptively adjusting the hint intensity, which ensures it will not undermine model performance. Experiments on the state-of-the-art LRMs, including DeepSeek-R1 and Qwen-3 series, demonstrate that our method can effectively produce concise reasoning processes while maintaining performance well. For instance, we achieve a reduction ratio of 65\% for the reasoning length on GSM8K benchmark with Qwen-3 4B with nearly no accuracy loss.
comment: Codes are available at https://github.com/tsa18/ConciseHint
♻ ☆ Cross-sensor self-supervised training and alignment for remote sensing
Large-scale ''foundation models'' have gained traction as a way to leverage the vast amounts of unlabeled remote sensing data collected every day. However, due to the multiplicity of Earth Observation satellites, these models should learn ''sensor agnostic'' representations, that generalize across sensor characteristics with minimal fine-tuning. This is complicated by data availability, as low-resolution imagery, such as Sentinel-2 and Landsat-8 data, are available in large amounts, while very high-resolution aerial or satellite data is less common. To tackle these challenges, we introduce cross-sensor self-supervised training and alignment for remote sensing (X-STARS). We design a self-supervised training loss, the Multi-Sensor Alignment Dense loss (MSAD), to align representations across sensors, even with vastly different resolutions. Our X-STARS can be applied to train models from scratch, or to adapt large models pretrained on e.g low-resolution EO data to new high-resolution sensors, in a continual pretraining framework. We collect and release MSC-France, a new multi-sensor dataset, on which we train our X-STARS models, then evaluated on seven downstream classification and segmentation tasks. We demonstrate that X-STARS outperform s the state-of-the-art by a significant margin with less data across various conditions of data availability and resolutions.
♻ ☆ Improving Out-of-Distribution Detection via Dynamic Covariance Calibration ICML25
Out-of-Distribution (OOD) detection is essential for the trustworthiness of AI systems. Methods using prior information (i.e., subspace-based methods) have shown effective performance by extracting information geometry to detect OOD data with a more appropriate distance metric. However, these methods fail to address the geometry distorted by ill-distributed samples, due to the limitation of statically extracting information geometry from the training distribution. In this paper, we argue that the influence of ill-distributed samples can be corrected by dynamically adjusting the prior geometry in response to new data. Based on this insight, we propose a novel approach that dynamically updates the prior covariance matrix using real-time input features, refining its information. Specifically, we reduce the covariance along the direction of real-time input features and constrain adjustments to the residual space, thus preserving essential data characteristics and avoiding effects on unintended directions in the principal space. We evaluate our method on two pre-trained models for the CIFAR dataset and five pre-trained models for ImageNet-1k, including the self-supervised DINO model. Extensive experiments demonstrate that our approach significantly enhances OOD detection across various models. The code is released at https://github.com/workerbcd/ooddcc.
comment: Accepted by ICML25
♻ ☆ DaMO: A Data-Efficient Multimodal Orchestrator for Temporal Reasoning with Video LLMs
Large Language Models (LLMs) have recently been extended to the video domain, enabling sophisticated video-language understanding. However, existing Video LLMs often exhibit limitations in fine-grained temporal reasoning, restricting their ability to precisely attribute responses to specific video moments, especially under constrained supervision. We introduce DaMO, a data-efficient Video LLM explicitly designed for accurate temporal reasoning and multimodal understanding. At its core, the proposed Temporal-aware Fuseformer employs a hierarchical dual-stream architecture that progressively captures temporal dynamics within each modality and effectively fuses complementary visual and audio information. To further enhance computational efficiency, DaMO integrates a global residual that reduces spatial redundancy while preserving essential semantic details. We train DaMO via a structured four-stage progressive training paradigm, incrementally equipping the model with multimodal alignment, semantic grounding, and temporal reasoning capabilities. This work also contributes multiple datasets augmented from existing ones with GPT-generated temporally grounded QA pairs for tasks requiring temporal supervision. Comprehensive experiments on temporal grounding and video QA benchmarks demonstrate that DaMO consistently surpasses prior methods, particularly in tasks demanding precise temporal alignment and reasoning. Our work establishes a promising direction for data-efficient video-language modeling.
comment: I would like to request the withdrawal of this submission because the current version contains significant errors and incomplete results. I intend to revise the manuscript thoroughly before resubmitting. I apologize for the oversight and appreciate your understanding
♻ ☆ SemGauss-SLAM: Dense Semantic Gaussian Splatting SLAM
We propose SemGauss-SLAM, a dense semantic SLAM system utilizing 3D Gaussian representation, that enables accurate 3D semantic mapping, robust camera tracking, and high-quality rendering simultaneously. In this system, we incorporate semantic feature embedding into 3D Gaussian representation, which effectively encodes semantic information within the spatial layout of the environment for precise semantic scene representation. Furthermore, we propose feature-level loss for updating 3D Gaussian representation, enabling higher-level guidance for 3D Gaussian optimization. In addition, to reduce cumulative drift in tracking and improve semantic reconstruction accuracy, we introduce semantic-informed bundle adjustment. By leveraging multi-frame semantic associations, this strategy enables joint optimization of 3D Gaussian representation and camera poses, resulting in low-drift tracking and accurate semantic mapping. Our SemGauss-SLAM demonstrates superior performance over existing radiance field-based SLAM methods in terms of mapping and tracking accuracy on Replica and ScanNet datasets, while also showing excellent capabilities in high-precision semantic segmentation and dense semantic mapping.
comment: IROS 2025
♻ ☆ Unfolding the Past: A Comprehensive Deep Learning Approach to Analyzing Incunabula Pages
We developed a proof-of-concept method for the automatic analysis of the structure and content of incunabula pages. A custom dataset comprising 500 annotated pages from five different incunabula was created using resources from the Jagiellonian Digital Library. Each page was manually labeled with five predefined classes: Text, Title, Picture, Table, and Handwriting. Additionally, the publicly available DocLayNet dataset was utilized as supplementary training data. To perform object detection, YOLO11n and YOLO11s models were employed and trained using two strategies: a combined dataset (DocLayNet and the custom dataset) and the custom dataset alone. The highest performance (F1 = 0.94) was achieved by the YOLO11n model trained exclusively on the custom data. Optical character recognition was then conducted on regions classified as Text, using both Tesseract and Kraken OCR, with Tesseract demonstrating superior results. Subsequently, image classification was applied to the Picture class using a ResNet18 model, achieving an accuracy of 98.7% across five subclasses: Decorative_letter, Illustration, Other, Stamp, and Wrong_detection. Furthermore, the CLIP model was utilized to generate semantic descriptions of illustrations. The results confirm the potential of machine learning in the analysis of early printed books, while emphasizing the need for further advancements in OCR performance and visual content interpretation.
comment: 10 pages, 8 figures; submitted to TPDL 2025; change in v2: updated e-mail address
♻ ☆ Privacy Attacks on Image AutoRegressive Models ICML2025
Image AutoRegressive generation has emerged as a new powerful paradigm with image autoregressive models (IARs) matching state-of-the-art diffusion models (DMs) in image quality (FID: 1.48 vs. 1.58) while allowing for a higher generation speed. However, the privacy risks associated with IARs remain unexplored, raising concerns regarding their responsible deployment. To address this gap, we conduct a comprehensive privacy analysis of IARs, comparing their privacy risks to the ones of DMs as reference points. Concretely, we develop a novel membership inference attack (MIA) that achieves a remarkably high success rate in detecting training images (with a True Positive Rate at False Positive Rate = 1% of 86.38% vs. 6.38% for DMs with comparable attacks). We leverage our novel MIA to provide dataset inference (DI) for IARs, and show that it requires as few as 6 samples to detect dataset membership (compared to 200 for DI in DMs), confirming a higher information leakage in IARs. Finally, we are able to extract hundreds of training data points from an IAR (e.g., 698 from VAR-d30). Our results suggest a fundamental privacy-utility trade-off: while IARs excel in image generation quality and speed, they are empirically significantly more vulnerable to privacy attacks compared to DMs that achieve similar performance. We release the code at https://github.com/sprintml/privacy_attacks_against_iars for reproducibility.
comment: Accepted at ICML2025
♻ ☆ PicoSAM2: Low-Latency Segmentation In-Sensor for Edge Vision Applications
Real-time, on-device segmentation is critical for latency-sensitive and privacy-aware applications like smart glasses and IoT devices. We introduce PicoSAM2, a lightweight (1.3M parameters, 336M MACs) promptable segmentation model optimized for edge and in-sensor execution, including the Sony IMX500. It builds on a depthwise separable U-Net, with knowledge distillation and fixed-point prompt encoding to learn from the Segment Anything Model 2 (SAM2). On COCO and LVIS, it achieves 51.9% and 44.9% mIoU, respectively. The quantized model (1.22MB) runs at 14.3 ms on the IMX500-achieving 86 MACs/cycle, making it the only model meeting both memory and compute constraints for in-sensor deployment. Distillation boosts LVIS performance by +3.5% mIoU and +5.1% mAP. These results demonstrate that efficient, promptable segmentation is feasible directly on-camera, enabling privacy-preserving vision without cloud or host processing.
♻ ☆ Multimodal Fusion SLAM with Fourier Attention
Visual SLAM is particularly challenging in environments affected by noise, varying lighting conditions, and darkness. Learning-based optical flow algorithms can leverage multiple modalities to address these challenges, but traditional optical flow-based visual SLAM approaches often require significant computational resources.To overcome this limitation, we propose FMF-SLAM, an efficient multimodal fusion SLAM method that utilizes fast Fourier transform (FFT) to enhance the algorithm efficiency. Specifically, we introduce a novel Fourier-based self-attention and cross-attention mechanism to extract features from RGB and depth signals. We further enhance the interaction of multimodal features by incorporating multi-scale knowledge distillation across modalities. We also demonstrate the practical feasibility of FMF-SLAM in real-world scenarios with real time performance by integrating it with a security robot by fusing with a global positioning module GNSS-RTK and global Bundle Adjustment. Our approach is validated using video sequences from TUM, TartanAir, and our real-world datasets, showcasing state-of-the-art performance under noisy, varying lighting, and dark conditions.Our code and datasets are available at https://github.com/youjie-zhou/FMF-SLAM.git.
comment: Accepted in IEEE RAL
♻ ☆ Cross-Level Multi-Instance Distillation for Self-Supervised Fine-Grained Visual Categorization
High-quality annotation of fine-grained visual categories demands great expert knowledge, which is taxing and time consuming. Alternatively, learning fine-grained visual representation from enormous unlabeled images (e.g., species, brands) by self-supervised learning becomes a feasible solution. However, recent researches find that existing self-supervised learning methods are less qualified to represent fine-grained categories. The bottleneck lies in that the pre-text representation is built from every patch-wise embedding, while fine-grained categories are only determined by several key patches of an image. In this paper, we propose a Cross-level Multi-instance Distillation (CMD) framework to tackle the challenge. Our key idea is to consider the importance of each image patch in determining the fine-grained pre-text representation by multiple instance learning. To comprehensively learn the relation between informative patches and fine-grained semantics, the multi-instance knowledge distillation is implemented on both the region/image crop pairs from the teacher and student net, and the region-image crops inside the teacher / student net, which we term as intra-level multi-instance distillation and inter-level multi-instance distillation. Extensive experiments on CUB-200-2011, Stanford Cars and FGVC Aircraft show that the proposed method outperforms the contemporary method by upto 10.14% and existing state-of-the-art self-supervised learning approaches by upto 19.78% on both top-1 accuracy and Rank-1 retrieval metric.
comment: Accepted by IEEE Transactions on Image Processing (TIP)
♻ ☆ Exclusive Style Removal for Cross Domain Novel Class Discovery
As a promising field in open-world learning, \textit{Novel Class Discovery} (NCD) is usually a task to cluster unseen novel classes in an unlabeled set based on the prior knowledge of labeled data within the same domain. However, the performance of existing NCD methods could be severely compromised when novel classes are sampled from a different distribution with the labeled ones. In this paper, we explore and establish the solvability of NCD with cross domain setting under the necessary condition that the style information needs to be removed. Based on the theoretical analysis, we introduce an exclusive style removal module for extracting style information that is distinctive from the baseline features, thereby facilitating inference. Moreover, this module is easy to integrate with other NCD methods, acting as a plug-in to improve performance on novel classes with different distributions compared to the labeled set. Additionally, recognizing the non-negligible influence of different backbones and pre-training strategies on the performance of the NCD methods, we build a fair benchmark for future NCD research. Extensive experiments on three common datasets demonstrate the effectiveness of our proposed style removal strategy.
♻ ☆ DivTrackee versus DynTracker: Promoting Diversity in Anti-Facial Recognition against Dynamic FR Strategy
The widespread adoption of facial recognition (FR) models raises serious concerns about their potential misuse, motivating the development of anti-facial recognition (AFR) to protect user facial privacy. In this paper, we argue that the static FR strategy, predominantly adopted in prior literature for evaluating AFR efficacy, cannot faithfully characterize the actual capabilities of determined trackers who aim to track a specific target identity. In particular, we introduce DynTracker, a dynamic FR strategy where the model's gallery database is iteratively updated with newly recognized target identity images. Surprisingly, such a simple approach renders all the existing AFR protections ineffective. To mitigate the privacy threats posed by DynTracker, we advocate for explicitly promoting diversity in the AFR-protected images. We hypothesize that the lack of diversity is the primary cause of the failure of existing AFR methods. Specifically, we develop DivTrackee, a novel method for crafting diverse AFR protections that builds upon a text-guided image generation framework and diversity-promoting adversarial losses. Through comprehensive experiments on various image benchmarks and feature extractors, we demonstrate DynTracker's strength in breaking existing AFR methods and the superiority of DivTrackee in preventing user facial images from being identified by dynamic FR strategies. We believe our work can act as an important initial step towards developing more effective AFR methods for protecting user facial privacy against determined trackers.
♻ ☆ RRCANet: Recurrent Reusable-Convolution Attention Network for Infrared Small Target Detection
Infrared small target detection is a challenging task due to its unique characteristics (e.g., small, dim, shapeless and changeable). Recently published CNN-based methods have achieved promising performance with heavy feature extraction and fusion modules. To achieve efficient and effective detection, we propose a recurrent reusable-convolution attention network (RRCA-Net) for infrared small target detection. Specifically, RRCA-Net incorporates reusable-convolution block (RuCB) in a recurrent manner without introducing extra parameters. With the help of the repetitive iteration in RuCB, the high-level information of small targets in the deep layers can be well maintained and further refined. Then, a dual interactive attention aggregation module (DIAAM) is proposed to promote the mutual enhancement and fusion of refined information. In this way, RRCA-Net can both achieve high-level feature refinement and enhance the correlation of contextual information between adjacent layers. Moreover, to achieve steady convergence, we design a target characteristic inspired loss function (DpT-k loss) by integrating physical and mathematical constraints. Experimental results on three benchmark datasets (e.g. NUAA-SIRST, IRSTD-1k, DenseSIRST) demonstrate that our RRCA-Net can achieve comparable performance to the state-of-the-art methods while maintaining a small number of parameters, and act as a plug and play module to introduce consistent performance improvement for several popular IRSTD methods. Our code will be available at https://github.com/yongxianLiu/ soon.
comment: We have corrected some annotation errors in the figures
♻ ☆ Improved and Explainable Cervical Cancer Classification using Ensemble Pooling of Block Fused Descriptors
Cervical cancer is the second most common cancer in women and causes high death rates. Earlier models for detecting cervical cancer had limited success. In this work, we propose new models that substantially outperform previous models. Previous studies show that pretrained ResNets extract features from cervical cancer images well. Hence, our first model involves working with three ResNets (50, 101, 152). All the existing works use only the last convolution block of their respective ResNet, which captures abstract features (e.g., shapes, objects). However, we believe that detailed features (e.g., color, edges, texture), coming from earlier convolution blocks, are equally important for cancer (specifically cervical cancer) classification. Since now the number of features become large, we use a novel feature selection technique of Global Max Pooling for detailed features and Global Average Pooling for abstract features. Hence, our second model consists of the resulting Cascaded Block Fused variants of the three ResNets. To improve the performance further, we combine and normalize the features of the three standard ResNets as well as our proposed three Cascaded Block Fused ResNets. This type of combination is also new in cancer classification domain (also in cervical cancer), and results in our third and fourth models, respectively. We use a linear SVM for classification. We exhaustively perform experiments on two public datasets, IARC and AnnoCerv, achieving an average performance of 97.92% and 92.97% surpassing standard ResNets performance of 90.89% and 87.97%, respectively. We outperform the competitive approach available on IARC dataset with an average gain of 13.20%, while no prior competitive work available on AnnoCerv. Additionally, we introduce a novel SHAP+LIME explainability method, accurately identifying the cancerous region in 97% of cases.
comment: 26 Pages, 10 figures, and 8 tables
♻ ☆ Controllable Video Generation with Provable Disentanglement
Controllable video generation remains a significant challenge, despite recent advances in generating high-quality and consistent videos. Most existing methods for controlling video generation treat the video as a whole, neglecting intricate fine-grained spatiotemporal relationships, which limits both control precision and efficiency. In this paper, we propose Controllable Video Generative Adversarial Networks (CoVoGAN) to disentangle the video concepts, thus facilitating efficient and independent control over individual concepts. Specifically, following the minimal change principle, we first disentangle static and dynamic latent variables. We then leverage the sufficient change property to achieve component-wise identifiability of dynamic latent variables, enabling disentangled control of video generation. To establish the theoretical foundation, we provide a rigorous analysis demonstrating the identifiability of our approach. Building on these theoretical insights, we design a Temporal Transition Module to disentangle latent dynamics. To enforce the minimal change principle and sufficient change property, we minimize the dimensionality of latent dynamic variables and impose temporal conditional independence. To validate our approach, we integrate this module as a plug-in for GANs. Extensive qualitative and quantitative experiments on various video generation benchmarks demonstrate that our method significantly improves generation quality and controllability across diverse real-world scenarios.
♻ ☆ FineCLIPER: Multi-modal Fine-grained CLIP for Dynamic Facial Expression Recognition with AdaptERs
Dynamic Facial Expression Recognition (DFER) is crucial for understanding human behavior. However, current methods exhibit limited performance mainly due to the scarcity of high-quality data, the insufficient utilization of facial dynamics, and the ambiguity of expression semantics, etc. To this end, we propose a novel framework, named Multi-modal Fine-grained CLIP for Dynamic Facial Expression Recognition with AdaptERs (FineCLIPER), incorporating the following novel designs: 1) To better distinguish between similar facial expressions, we extend the class labels to textual descriptions from both positive and negative aspects, and obtain supervision by calculating the cross-modal similarity based on the CLIP model; 2) Our FineCLIPER adopts a hierarchical manner to effectively mine useful cues from DFE videos. Specifically, besides directly embedding video frames as input (low semantic level), we propose to extract the face segmentation masks and landmarks based on each frame (middle semantic level) and utilize the Multi-modal Large Language Model (MLLM) to further generate detailed descriptions of facial changes across frames with designed prompts (high semantic level). Additionally, we also adopt Parameter-Efficient Fine-Tuning (PEFT) to enable efficient adaptation of large pre-trained models (i.e., CLIP) for this task. Our FineCLIPER achieves SOTA performance on the DFEW, FERV39k, and MAFW datasets in both supervised and zero-shot settings with few tunable parameters. Project Page: https://haroldchen19.github.io/FineCLIPER-Page/
comment: Accepted to ACM MM 2024
♻ ☆ VideoMathQA: Benchmarking Mathematical Reasoning via Multimodal Understanding in Videos
Mathematical reasoning in real-world video settings presents a fundamentally different challenge than in static images or text. It requires interpreting fine-grained visual information, accurately reading handwritten or digital text, and integrating spoken cues, often dispersed non-linearly over time. In such multimodal contexts, success hinges not just on perception, but on selectively identifying and integrating the right contextual details from a rich and noisy stream of content. To this end, we introduce VideoMathQA, a benchmark designed to evaluate whether models can perform such temporally extended cross-modal reasoning on videos. The benchmark spans 10 diverse mathematical domains, covering videos ranging from 10 seconds to over 1 hour. It requires models to interpret structured visual content, understand instructional narratives, and jointly ground concepts across visual, audio, and textual modalities. We employ graduate-level experts to ensure high quality, totaling over $920$ man-hours of annotation. To reflect real-world scenarios, questions are designed around three core reasoning challenges: direct problem solving, where answers are grounded in the presented question; conceptual transfer, which requires applying learned methods to new problems; and deep instructional comprehension, involving multi-step reasoning over extended explanations and partially worked-out solutions. Each question includes multi-step reasoning annotations, enabling fine-grained diagnosis of model capabilities. Through this benchmark, we highlight the limitations of existing approaches and establish a systematic evaluation framework for models that must reason, rather than merely perceive, across temporally extended and modality-rich mathematical problem settings. Our benchmark and evaluation code are available at: https://mbzuai-oryx.github.io/VideoMathQA
comment: VideoMathQA Technical Report
♻ ☆ Flopping for FLOPs: Leveraging equivariance for computational efficiency ICML 2025
Incorporating geometric invariance into neural networks enhances parameter efficiency but typically increases computational costs. This paper introduces new equivariant neural networks that preserve symmetry while maintaining a comparable number of floating-point operations (FLOPs) per parameter to standard non-equivariant networks. We focus on horizontal mirroring (flopping) invariance, common in many computer vision tasks. The main idea is to parametrize the feature spaces in terms of mirror-symmetric and mirror-antisymmetric features, i.e., irreps of the flopping group. This decomposes the linear layers to be block-diagonal, requiring half the number of FLOPs. Our approach reduces both FLOPs and wall-clock time, providing a practical solution for efficient, scalable symmetry-aware architectures.
comment: ICML 2025
Machine Learning 211
☆ Radial Attention: $O(n\log n)$ Sparse Attention with Energy Decay for Long Video Generation
Recent advances in diffusion models have enabled high-quality video generation, but the additional temporal dimension significantly increases computational costs, making training and inference on long videos prohibitively expensive. In this paper, we identify a phenomenon we term Spatiotemporal Energy Decay in video diffusion models: post-softmax attention scores diminish as spatial and temporal distance between tokens increase, akin to the physical decay of signal or waves over space and time in nature. Motivated by this, we propose Radial Attention, a scalable sparse attention mechanism with $O(n \log n)$ complexity that translates energy decay into exponentially decaying compute density, which is significantly more efficient than standard $O(n^2)$ dense attention and more expressive than linear attention. Specifically, Radial Attention employs a simple, static attention mask where each token attends to spatially nearby tokens, with the attention window size shrinking with temporal distance. Moreover, it allows pre-trained video diffusion models to extend their generation length with efficient LoRA-based fine-tuning. Extensive experiments show that Radial Attention maintains video quality across Wan2.1-14B, HunyuanVideo, and Mochi 1, achieving up to a 1.9$\times$ speedup over the original dense attention. With minimal tuning, it enables video generation up to 4$\times$ longer while reducing training costs by up to 4.4$\times$ compared to direct fine-tuning and accelerating inference by up to 3.7$\times$ compared to dense attention inference.
comment: Code: https://github.com/mit-han-lab/radial-attention
Orthogonal Finetuning Made Scalable
Orthogonal finetuning (OFT) offers highly parameter-efficient adaptation while preventing catastrophic forgetting, but its high runtime and memory demands limit practical deployment. We identify the core computational bottleneck in OFT as its weight-centric implementation, which relies on costly matrix-matrix multiplications with cubic complexity. To overcome this, we propose OFTv2, an input-centric reformulation that instead uses matrix-vector multiplications (i.e., matrix-free computation), reducing the computational cost to quadratic. We further introduce the Cayley-Neumann parameterization, an efficient orthogonal parameterization that approximates the matrix inversion in Cayley transform via a truncated Neumann series. These modifications allow OFTv2 to achieve up to 10x faster training and 3x lower GPU memory usage without compromising performance. In addition, we extend OFTv2 to support finetuning quantized foundation models and show that it outperforms the popular QLoRA in training stability, efficiency, and memory usage.
comment: Technical report (17 pages, 7 figures, project page: https://spherelab.ai/oftv2/)
☆ A Comparative Study of NAFNet Baselines for Image Restoration
We study NAFNet (Nonlinear Activation Free Network), a simple and efficient deep learning baseline for image restoration. By using CIFAR10 images corrupted with noise and blur, we conduct an ablation study of NAFNet's core components. Our baseline model implements SimpleGate activation, Simplified Channel Activation (SCA), and LayerNormalization. We compare this baseline to different variants that replace or remove components. Quantitative results (PSNR, SSIM) and examples illustrate how each modification affects restoration performance. Our findings support the NAFNet design: the SimpleGate and simplified attention mechanisms yield better results than conventional activations and attention, while LayerNorm proves to be important for stable training. We conclude with recommendations for model design, discuss potential improvements, and future work.
☆ Convergence of Mean Shift Algorithms for Large Bandwidths and Simultaneous Accurate Clustering
The mean shift (MS) is a non-parametric, density-based, iterative algorithm that has prominent usage in clustering and image segmentation. A rigorous proof for its convergence in full generality remains unknown. Two significant steps in this direction were taken in the paper \cite{Gh1}, which proved that for \textit{sufficiently large bandwidth}, the MS algorithm with the Gaussian kernel always converges in any dimension, and also by the same author in \cite{Gh2}, proved that MS always converges in one dimension for kernels with differentiable, strictly decreasing, convex profiles. In the more recent paper \cite{YT}, they have proved the convergence in more generality,\textit{ without any restriction on the bandwidth}, with the assumption that the KDE $f$ has a continuous Lipschitz gradient on the closure of the convex hull of the trajectory of the iterated sequence of the mode estimate, and also satisfies the {\L}ojasiewicz property there. The main theoretical result of this paper is a generalization of those of \cite{Gh1}, where we show that (1) for\textit{ sufficiently large bandwidth} convergence is guaranteed in any dimension with \textit{any radially symmetric and strictly positive definite kernels}. The proof uses two alternate characterizations of radially symmetric positive definite smooth kernels by Schoenberg and Bernstein \cite{Fass}, and borrows some steps from the proofs in \cite{Gh1}. Although the authors acknowledge that the result in that paper is more restrictive than that of \cite{YT} due to the lower bandwidth limit, it uses a different set of assumptions than \cite{YT}, and the proof technique is different.
☆ Machine Learning with Privacy for Protected Attributes
Differential privacy (DP) has become the standard for private data analysis. Certain machine learning applications only require privacy protection for specific protected attributes. Using naive variants of differential privacy in such use cases can result in unnecessary degradation of utility. In this work, we refine the definition of DP to create a more general and flexible framework that we call feature differential privacy (FDP). Our definition is simulation-based and allows for both addition/removal and replacement variants of privacy, and can handle arbitrary and adaptive separation of protected and non-protected features. We prove the properties of FDP, such as adaptive composition, and demonstrate its implications for limiting attribute inference attacks. We also propose a modification of the standard DP-SGD algorithm that satisfies FDP while leveraging desirable properties such as amplification via sub-sampling. We apply our framework to various machine learning tasks and show that it can significantly improve the utility of DP-trained models when public features are available. For example, we train diffusion models on the AFHQ dataset of animal faces and observe a drastic improvement in FID compared to DP, from 286.7 to 101.9 at $\epsilon=8$, assuming that the blurred version of a training image is available as a public feature. Overall, our work provides a new approach to private data analysis that can help reduce the utility cost of DP while still providing strong privacy guarantees.
☆ A standard transformer and attention with linear biases for molecular conformer generation
Sampling low-energy molecular conformations, spatial arrangements of atoms in a molecule, is a critical task for many different calculations performed in the drug discovery and optimization process. Numerous specialized equivariant networks have been designed to generate molecular conformations from 2D molecular graphs. Recently, non-equivariant transformer models have emerged as a viable alternative due to their capability to scale to improve generalization. However, the concern has been that non-equivariant models require a large model size to compensate the lack of equivariant bias. In this paper, we demonstrate that a well-chosen positional encoding effectively addresses these size limitations. A standard transformer model incorporating relative positional encoding for molecular graphs when scaled to 25 million parameters surpasses the current state-of-the-art non-equivariant base model with 64 million parameters on the GEOM-DRUGS benchmark. We implemented relative positional encoding as a negative attention bias that linearly increases with the shortest path distances between graph nodes at varying slopes for different attention heads, similar to ALiBi, a widely adopted relative positional encoding technique in the NLP domain. This architecture has the potential to serve as a foundation for a novel class of generative models for molecular conformations.
comment: Revision of paper at OpenReview: https://openreview.net/forum?id=BjjerMYL3F
☆ Scaling Speculative Decoding with Lookahead Reasoning
Reasoning models excel by generating long chain-of-thoughts, but decoding the resulting thousands of tokens is slow. Token-level speculative decoding (SD) helps, but its benefit is capped, because the chance that an entire $\gamma$-token guess is correct falls exponentially as $\gamma$ grows. This means allocating more compute for longer token drafts faces an algorithmic ceiling -- making the speedup modest and hardware-agnostic. We raise this ceiling with Lookahead Reasoning, which exploits a second, step-level layer of parallelism. Our key insight is that reasoning models generate step-by-step, and each step needs only to be semantically correct, not exact token matching. In Lookahead Reasoning, a lightweight draft model proposes several future steps; the target model expands each proposal in one batched pass, and a verifier keeps semantically correct steps while letting the target regenerate any that fail. Token-level SD still operates within each reasoning step, so the two layers of parallelism multiply. We show Lookahead Reasoning lifts the peak speedup of SD both theoretically and empirically. Across GSM8K, AIME, and other benchmarks, Lookahead Reasoning improves the speedup of SD from 1.4x to 2.1x while preserving answer quality, and its speedup scales better with additional GPU throughput. Our code is available at https://github.com/hao-ai-lab/LookaheadReasoning
☆ Persona Features Control Emergent Misalignment
Understanding how language models generalize behaviors from their training to a broader deployment distribution is an important problem in AI safety. Betley et al. discovered that fine-tuning GPT-4o on intentionally insecure code causes "emergent misalignment," where models give stereotypically malicious responses to unrelated prompts. We extend this work, demonstrating emergent misalignment across diverse conditions, including reinforcement learning on reasoning models, fine-tuning on various synthetic datasets, and in models without safety training. To investigate the mechanisms behind this generalized misalignment, we apply a "model diffing" approach using sparse autoencoders to compare internal model representations before and after fine-tuning. This approach reveals several "misaligned persona" features in activation space, including a toxic persona feature which most strongly controls emergent misalignment and can be used to predict whether a model will exhibit such behavior. Additionally, we investigate mitigation strategies, discovering that fine-tuning an emergently misaligned model on just a few hundred benign samples efficiently restores alignment.
ProxelGen: Generating Proteins as 3D Densities
We develop ProxelGen, a protein structure generative model that operates on 3D densities as opposed to the prevailing 3D point cloud representations. Representing proteins as voxelized densities, or proxels, enables new tasks and conditioning capabilities. We generate proteins encoded as proxels via a 3D CNN-based VAE in conjunction with a diffusion model operating on its latent space. Compared to state-of-the-art models, ProxelGen's samples achieve higher novelty, better FID scores, and the same level of designability as the training set. ProxelGen's advantages are demonstrated in a standard motif scaffolding benchmark, and we show how 3D density-based generation allows for more flexible shape conditioning.
☆ Curating art exhibitions using machine learning
Art curatorship has always been mostly the subjective work of human experts, who, with extensive knowledge of many and diverse artworks, select a few of those to present in communal spaces, spaces that evolved into what we now call art galleries. There are no hard and fast set of rules on how to select these artworks, given a theme which either is presented to the art curator or constructed by her/him. Here we present a series of artificial models -- a total of four related models -- based on machine learning techniques (a subset of artificial intelligence) that attempt to learn from existing exhibitions which have been curated by human experts, in order to be able to do similar curatorship work. We focus exclusively on the last 25 years of past exhibitions at the Metropolitan Museum of Art in New York, due to the quality of the data available and the physical and time limitations of our research. Our four artificial intelligence models achieve a reasonable ability at imitating these various curators responsible for all those exhibitions, with various degrees of precision and curatorial coherence. In particular, we can conclude two key insights: first, that there is sufficient information in these exhibitions to construct an artificial intelligence model that replicates past exhibitions with an accuracy well above random choices; second, that using feature engineering and carefully designing the architecture of modest size models can make them as good as those using the so-called large language models such as GPT in a brute force approach. We also believe, based on small attempts to use the models in out-of-sample experiments, that given more much more data, it should be possible for these kinds of artificial intelligence agents to be closer and closer to the aesthetic and curatorial judgment of human art curators.
☆ Ambiguous Online Learning
We propose a new variant of online learning that we call "ambiguous online learning". In this setting, the learner is allowed to produce multiple predicted labels. Such an "ambiguous prediction" is considered correct when at least one of the labels is correct, and none of the labels are "predictably wrong". The definition of "predictably wrong" comes from a hypothesis class in which hypotheses are also multi-valued. Thus, a prediction is "predictably wrong" if it's not allowed by the (unknown) true hypothesis. In particular, this setting is natural in the context of multivalued dynamical systems, recommendation algorithms and lossless compression. It is also strongly related to so-called "apple tasting". We show that in this setting, there is a trichotomy of mistake bounds: up to logarithmic factors, any hypothesis class has an optimal mistake bound of either Theta(1), Theta(sqrt(N)) or N.
☆ KnowRL: Exploring Knowledgeable Reinforcement Learning for Factuality
Large Language Models (LLMs), particularly slow-thinking models, often exhibit severe hallucination, outputting incorrect content due to an inability to accurately recognize knowledge boundaries during reasoning. While Reinforcement Learning (RL) can enhance complex reasoning abilities, its outcome-oriented reward mechanism often lacks factual supervision over the thinking process, further exacerbating the hallucination problem. To address the high hallucination in slow-thinking models, we propose Knowledge-enhanced RL, KnowRL. KnowRL guides models to perform fact-based slow thinking by integrating a factuality reward, based on knowledge verification, into the RL training process, helping them recognize their knowledge boundaries. KnowRL guides models to perform fact-based slow thinking by integrating a factuality reward, based on knowledge verification, into the RL training process, helping them recognize their knowledge boundaries. This targeted factual input during RL training enables the model to learn and internalize fact-based reasoning strategies. By directly rewarding adherence to facts within the reasoning steps, KnowRL fosters a more reliable thinking process. Experimental results on three hallucination evaluation datasets and two reasoning evaluation datasets demonstrate that KnowRL effectively mitigates hallucinations in slow-thinking models while maintaining their original strong reasoning capabilities. Our code is available at https://github.com/zjunlp/KnowRL.
comment: Work in progress
☆ Convolution-weighting method for the physics-informed neural network: A Primal-Dual Optimization Perspective
Physics-informed neural networks (PINNs) are extensively employed to solve partial differential equations (PDEs) by ensuring that the outputs and gradients of deep learning models adhere to the governing equations. However, constrained by computational limitations, PINNs are typically optimized using a finite set of points, which poses significant challenges in guaranteeing their convergence and accuracy. In this study, we proposed a new weighting scheme that will adaptively change the weights to the loss functions from isolated points to their continuous neighborhood regions. The empirical results show that our weighting scheme can reduce the relative $L^2$ errors to a lower value.
comment: 18 pages, 12 figures
☆ Why Do Open-Source LLMs Struggle with Data Analysis? A Systematic Empirical Study
Large Language Models (LLMs) hold promise in automating data analysis tasks, yet open-source models face significant limitations in these kinds of reasoning-intensive scenarios. In this work, we investigate strategies to enhance the data analysis capabilities of open-source LLMs. By curating a seed dataset of diverse, realistic scenarios, we evaluate models across three dimensions: data understanding, code generation, and strategic planning. Our analysis reveals three key findings: (1) Strategic planning quality serves as the primary determinant of model performance; (2) Interaction design and task complexity significantly influence reasoning capabilities; (3) Data quality demonstrates a greater impact than diversity in achieving optimal performance. We leverage these insights to develop a data synthesis methodology, demonstrating significant improvements in open-source LLMs' analytical reasoning capabilities.
comment: Work in progress
☆ A comparative analysis of machine learning algorithms for predicting probabilities of default
Predicting the probability of default (PD) of prospective loans is a critical objective for financial institutions. In recent years, machine learning (ML) algorithms have achieved remarkable success across a wide variety of prediction tasks; yet, they remain relatively underutilised in credit risk analysis. This paper highlights the opportunities that ML algorithms offer to this field by comparing the performance of five predictive models-Random Forests, Decision Trees, XGBoost, Gradient Boosting and AdaBoost-to the predominantly used logistic regression, over a benchmark dataset from Scheule et al. (Credit Risk Analytics: The R Companion). Our findings underscore the strengths and weaknesses of each method, providing valuable insights into the most effective ML algorithms for PD prediction in the context of loan portfolios.
comment: 6 pages, 2 tables, to appear in Book of Short Papers - IES 2025
☆ Multi-Preference Lambda-weighted Listwise DPO for Dynamic Preference Alignment AAAI 2026
While large-scale unsupervised language models (LMs) capture broad world knowledge and reasoning capabilities, steering their behavior toward desired objectives remains challenging due to the lack of explicit supervision. Existing alignment techniques, such as reinforcement learning from human feedback (RLHF), rely on training a reward model and performing reinforcement learning to align with human preferences. However, RLHF is often computationally intensive, unstable, and sensitive to hyperparameters. To address these limitations, Direct Preference Optimization (DPO) was introduced as a lightweight and stable alternative, enabling direct alignment of language models with pairwise preference data via classification loss. However, DPO and its extensions generally assume a single static preference distribution, limiting flexibility in multi-objective or dynamic alignment settings. In this paper, we propose a novel framework: Multi-Preference Lambda-weighted Listwise DPO, which extends DPO to incorporate multiple human preference dimensions (e.g., helpfulness, harmlessness, informativeness) and enables dynamic interpolation through a controllable simplex-weighted formulation. Our method supports both listwise preference feedback and flexible alignment across varying user intents without re-training. Empirical and theoretical analysis demonstrates that our method is as effective as traditional DPO on static objectives while offering greater generality and adaptability for real-world deployment.
comment: 10 pages, 4 figures, appendix included. To appear in Proceedings of AAAI 2026. Code: https://github.com/yuhui15/Multi-Preference-Lambda-weighted-DPO
☆ SRFT: A Single-Stage Method with Supervised and Reinforcement Fine-Tuning for Reasoning
Large language models (LLMs) have achieved remarkable progress in reasoning tasks, yet the optimal integration of Supervised Fine-Tuning (SFT) and Reinforcement Learning (RL) remains a fundamental challenge. Through comprehensive analysis of token distributions, learning dynamics, and integration mechanisms from entropy-based perspectives, we reveal key differences between these paradigms: SFT induces coarse-grained global changes to LLM policy distributions, while RL performs fine-grained selective optimizations, with entropy serving as a critical indicator of training effectiveness. Building on these observations, we propose Supervised Reinforcement Fine-Tuning (SRFT), a single-stage method that unifies both fine-tuning paradigms through entropy-aware weighting mechanisms. Our approach simultaneously applies SFT and RL to directly optimize the LLM using demonstrations and self-exploration rollouts rather than through two-stage sequential methods. Extensive experiments show that SRFT achieves 59.1% average accuracy, outperforming zero-RL methods by 9.0% on five mathematical reasoning benchmarks and 10.9% on three out-of-distribution benchmarks.
☆ The Shape of Consumer Behavior: A Symbolic and Topological Analysis of Time Series
Understanding temporal patterns in online search behavior is crucial for real-time marketing and trend forecasting. Google Trends offers a rich proxy for public interest, yet the high dimensionality and noise of its time-series data present challenges for effective clustering. This study evaluates three unsupervised clustering approaches, Symbolic Aggregate approXimation (SAX), enhanced SAX (eSAX), and Topological Data Analysis (TDA), applied to 20 Google Trends keywords representing major consumer categories. Our results show that while SAX and eSAX offer fast and interpretable clustering for stable time series, they struggle with volatility and complexity, often producing ambiguous ``catch-all'' clusters. TDA, by contrast, captures global structural features through persistent homology and achieves more balanced and meaningful groupings. We conclude with practical guidance for using symbolic and topological methods in consumer analytics and suggest that hybrid approaches combining both perspectives hold strong potential for future applications.
comment: 33 pages, 30 figures
☆ Cross-regularization: Adaptive Model Complexity through Validation Gradients ICML 2025
Model regularization requires extensive manual tuning to balance complexity against overfitting. Cross-regularization resolves this tradeoff by directly adapting regularization parameters through validation gradients during training. The method splits parameter optimization - training data guides feature learning while validation data shapes complexity controls - converging provably to cross-validation optima. When implemented through noise injection in neural networks, this approach reveals striking patterns: unexpectedly high noise tolerance and architecture-specific regularization that emerges organically during training. Beyond complexity control, the framework integrates seamlessly with data augmentation, uncertainty calibration and growing datasets while maintaining single-run efficiency through a simple gradient-based approach.
comment: 21 pages, 13 figures. Accepted at ICML 2025
☆ On the necessity of adaptive regularisation:Optimal anytime online learning on $\boldsymbol{\ell_p}$-balls
We study online convex optimization on $\ell_p$-balls in $\mathbb{R}^d$ for $p > 2$. While always sub-linear, the optimal regret exhibits a shift between the high-dimensional setting ($d > T$), when the dimension $d$ is greater than the time horizon $T$ and the low-dimensional setting ($d \leq T$). We show that Follow-the-Regularised-Leader (FTRL) with time-varying regularisation which is adaptive to the dimension regime is anytime optimal for all dimension regimes. Motivated by this, we ask whether it is possible to obtain anytime optimality of FTRL with fixed non-adaptive regularisation. Our main result establishes that for separable regularisers, adaptivity in the regulariser is necessary, and that any fixed regulariser will be sub-optimal in one of the two dimension regimes. Finally, we provide lower bounds which rule out sub-linear regret bounds for the linear bandit problem in sufficiently high-dimension for all $\ell_p$-balls with $p \geq 1$.
☆ Noise Consistency Training: A Native Approach for One-Step Generator in Learning Additional Controls
The pursuit of efficient and controllable high-quality content generation remains a central challenge in artificial intelligence-generated content (AIGC). While one-step generators, enabled by diffusion distillation techniques, offer excellent generation quality and computational efficiency, adapting them to new control conditions--such as structural constraints, semantic guidelines, or external inputs--poses a significant challenge. Conventional approaches often necessitate computationally expensive modifications to the base model and subsequent diffusion distillation. This paper introduces Noise Consistency Training (NCT), a novel and lightweight approach to directly integrate new control signals into pre-trained one-step generators without requiring access to original training images or retraining the base diffusion model. NCT operates by introducing an adapter module and employs a noise consistency loss in the noise space of the generator. This loss aligns the adapted model's generation behavior across noises that are conditionally dependent to varying degrees, implicitly guiding it to adhere to the new control. Theoretically, this training objective can be understood as minimizing the distributional distance between the adapted generator and the conditional distribution induced by the new conditions. NCT is modular, data-efficient, and easily deployable, relying only on the pre-trained one-step generator and a control signal model. Extensive experiments demonstrate that NCT achieves state-of-the-art controllable generation in a single forward pass, surpassing existing multi-step and distillation-based methods in both generation quality and computational efficiency. Code is available at https://github.com/Luo-Yihong/NCT
☆ DRIFT: Data Reduction via Informative Feature Transformation- Generalization Begins Before Deep Learning starts
Modern deep learning architectures excel at optimization, but only after the data has entered the network. The true bottleneck lies in preparing the right input: minimal, salient, and structured in a way that reflects the essential patterns of the data. We propose DRIFT (Data Reduction via Informative Feature Transformation), a novel preprocessing technique inspired by vibrational analysis in physical systems, to identify and extract the most resonant modes of input data prior to training. Unlike traditional models that attempt to learn amidst both signal and noise, DRIFT mimics physics perception by emphasizing informative features while discarding irrelevant elements. The result is a more compact and interpretable representation that enhances training stability and generalization performance. In DRIFT, images are projected onto a low-dimensional basis formed by spatial vibration mode shapes of plates, offering a physically grounded feature set. This enables neural networks to operate with drastically fewer input dimensions (~ 50 features on MNIST and less than 100 on CIFAR100) while achieving competitive classification accuracy. Extensive experiments across MNIST and CIFAR100 demonstrate DRIFT's superiority over standard pixel-based models and PCA in terms of training stability, resistance to overfitting, and generalization robustness. Notably, DRIFT displays minimal sensitivity to changes in batch size, network architecture, and image resolution, further establishing it as a resilient and efficient data representation strategy. This work shifts the focus from architecture engineering to input curation and underscores the power of physics-driven data transformations in advancing deep learning performance.
☆ Who Does What in Deep Learning? Multidimensional Game-Theoretic Attribution of Function of Neural Units
Neural networks now generate text, images, and speech with billions of parameters, producing a need to know how each neural unit contributes to these high-dimensional outputs. Existing explainable-AI methods, such as SHAP, attribute importance to inputs, but cannot quantify the contributions of neural units across thousands of output pixels, tokens, or logits. Here we close that gap with Multiperturbation Shapley-value Analysis (MSA), a model-agnostic game-theoretic framework. By systematically lesioning combinations of units, MSA yields Shapley Modes, unit-wise contribution maps that share the exact dimensionality of the model's output. We apply MSA across scales, from multi-layer perceptrons to the 56-billion-parameter Mixtral-8x7B and Generative Adversarial Networks (GAN). The approach demonstrates how regularisation concentrates computation in a few hubs, exposes language-specific experts inside the LLM, and reveals an inverted pixel-generation hierarchy in GANs. Together, these results showcase MSA as a powerful approach for interpreting, editing, and compressing deep neural networks.
☆ Geometric-Aware Variational Inference: Robust and Adaptive Regularization with Directional Weight Uncertainty
Deep neural networks require principled uncertainty quantification, yet existing variational inference methods often employ isotropic Gaussian approximations in weight space that poorly match the network's inherent geometry. We address this mismatch by introducing Concentration-Adapted Perturbations (CAP), a variational framework that models weight uncertainties directly on the unit hypersphere using von Mises-Fisher distributions. Building on recent work in radial-directional posterior decompositions and spherical weight constraints, CAP provides the first complete theoretical framework connecting directional statistics to practical noise regularization in neural networks. Our key contribution is an analytical derivation linking vMF concentration parameters to activation noise variance, enabling each layer to learn its optimal uncertainty level through a novel closed-form KL divergence regularizer. In experiments on CIFAR-10, CAP significantly improves model calibration - reducing Expected Calibration Error by 5.6x - while providing interpretable layer-wise uncertainty profiles. CAP requires minimal computational overhead and integrates seamlessly into standard architectures, offering a theoretically grounded yet practical approach to uncertainty quantification in deep learning.
comment: 19 pages, 4 figures
☆ Conservative quantum offline model-based optimization
Offline model-based optimization (MBO) refers to the task of optimizing a black-box objective function using only a fixed set of prior input-output data, without any active experimentation. Recent work has introduced quantum extremal learning (QEL), which leverages the expressive power of variational quantum circuits to learn accurate surrogate functions by training on a few data points. However, as widely studied in the classical machine learning literature, predictive models may incorrectly extrapolate objective values in unexplored regions, leading to the selection of overly optimistic solutions. In this paper, we propose integrating QEL with conservative objective models (COM) - a regularization technique aimed at ensuring cautious predictions on out-of-distribution inputs. The resulting hybrid algorithm, COM-QEL, builds on the expressive power of quantum neural networks while safeguarding generalization via conservative modeling. Empirical results on benchmark optimization tasks demonstrate that COM-QEL reliably finds solutions with higher true objective values compared to the original QEL, validating its superiority for offline design problems.
comment: 5 pages, 5 figures, initial version
☆ Guidance in the Frequency Domain Enables High-Fidelity Sampling at Low CFG Scales
Classifier-free guidance (CFG) has become an essential component of modern conditional diffusion models. Although highly effective in practice, the underlying mechanisms by which CFG enhances quality, detail, and prompt alignment are not fully understood. We present a novel perspective on CFG by analyzing its effects in the frequency domain, showing that low and high frequencies have distinct impacts on generation quality. Specifically, low-frequency guidance governs global structure and condition alignment, while high-frequency guidance mainly enhances visual fidelity. However, applying a uniform scale across all frequencies -- as is done in standard CFG -- leads to oversaturation and reduced diversity at high scales and degraded visual quality at low scales. Based on these insights, we propose frequency-decoupled guidance (FDG), an effective approach that decomposes CFG into low- and high-frequency components and applies separate guidance strengths to each component. FDG improves image quality at low guidance scales and avoids the drawbacks of high CFG scales by design. Through extensive experiments across multiple datasets and models, we demonstrate that FDG consistently enhances sample fidelity while preserving diversity, leading to improved FID and recall compared to CFG, establishing our method as a plug-and-play alternative to standard classifier-free guidance.
☆ Learning-aided Bigraph Matching Approach to Multi-Crew Restoration of Damaged Power Networks Coupled with Road Transportation Networks
The resilience of critical infrastructure networks (CINs) after disruptions, such as those caused by natural hazards, depends on both the speed of restoration and the extent to which operational functionality can be regained. Allocating resources for restoration is a combinatorial optimal planning problem that involves determining which crews will repair specific network nodes and in what order. This paper presents a novel graph-based formulation that merges two interconnected graphs, representing crew and transportation nodes and power grid nodes, into a single heterogeneous graph. To enable efficient planning, graph reinforcement learning (GRL) is integrated with bigraph matching. GRL is utilized to design the incentive function for assigning crews to repair tasks based on the graph-abstracted state of the environment, ensuring generalization across damage scenarios. Two learning techniques are employed: a graph neural network trained using Proximal Policy Optimization and another trained via Neuroevolution. The learned incentive functions inform a bipartite graph that links crews to repair tasks, enabling weighted maximum matching for crew-to-task allocations. An efficient simulation environment that pre-computes optimal node-to-node path plans is used to train the proposed restoration planning methods. An IEEE 8500-bus power distribution test network coupled with a 21 square km transportation network is used as the case study, with scenarios varying in terms of numbers of damaged nodes, depots, and crews. Results demonstrate the approach's generalizability and scalability across scenarios, with learned policies providing 3-fold better performance than random policies, while also outperforming optimization-based solutions in both computation time (by several orders of magnitude) and power restored.
comment: IDETC 2025
☆ Outlier-Safe Pre-Training for Robust 4-Bit Quantization of Large Language Models
Extreme activation outliers in Large Language Models (LLMs) critically degrade quantization performance, hindering efficient on-device deployment. While channel-wise operations and adaptive gradient scaling are recognized causes, practical mitigation remains challenging. We introduce Outlier-Safe Pre-Training (OSP), a practical guideline that proactively prevents outlier formation rather than relying on post-hoc mitigation. OSP combines three key innovations: (1) the Muon optimizer, eliminating privileged bases while maintaining training efficiency; (2) Single-Scale RMSNorm, preventing channel-wise amplification; and (3) a learnable embedding projection, redistributing activation magnitudes originating from embedding matrices. We validate OSP by training a 1.4B-parameter model on 1 trillion tokens, which is the first production-scale LLM trained without such outliers. Under aggressive 4-bit quantization, our OSP model achieves a 35.7 average score across 10 benchmarks (compared to 26.5 for an Adam-trained model), with only a 2% training overhead. Remarkably, OSP models exhibit near-zero excess kurtosis (0.04) compared to extreme values (1818.56) in standard models, fundamentally altering LLM quantization behavior. Our work demonstrates that outliers are not inherent to LLMs but are consequences of training strategies, paving the way for more efficient LLM deployment. The source code and pretrained checkpoints are available at https://github.com/dmis-lab/Outlier-Safe-Pre-Training.
☆ Near-optimal estimates for the $\ell^p$-Lipschitz constants of deep random ReLU neural networks
This paper studies the $\ell^p$-Lipschitz constants of ReLU neural networks $\Phi: \mathbb{R}^d \to \mathbb{R}$ with random parameters for $p \in [1,\infty]$. The distribution of the weights follows a variant of the He initialization and the biases are drawn from symmetric distributions. We derive high probability upper and lower bounds for wide networks that differ at most by a factor that is logarithmic in the network's width and linear in its depth. In the special case of shallow networks, we obtain matching bounds. Remarkably, the behavior of the $\ell^p$-Lipschitz constant varies significantly between the regimes $ p \in [1,2) $ and $ p \in [2,\infty] $. For $p \in [2,\infty]$, the $\ell^p$-Lipschitz constant behaves similarly to $\Vert g\Vert_{p'}$, where $g \in \mathbb{R}^d$ is a $d$-dimensional standard Gaussian vector and $1/p + 1/p' = 1$. In contrast, for $p \in [1,2)$, the $\ell^p$-Lipschitz constant aligns more closely to $\Vert g \Vert_{2}$.
comment: The introduction will still be expanded with additional references
☆ ReBoot: Encrypted Training of Deep Neural Networks with CKKS Bootstrapping
Growing concerns over data privacy underscore the need for deep learning methods capable of processing sensitive information without compromising confidentiality. Among privacy-enhancing technologies, Homomorphic Encryption (HE) stands out by providing post-quantum cryptographic security and end-to-end data protection, safeguarding data even during computation. While Deep Neural Networks (DNNs) have gained attention in HE settings, their use has largely been restricted to encrypted inference. Prior research on encrypted training has primarily focused on logistic regression or has relied on multi-party computation to enable model fine-tuning. This stems from the substantial computational overhead and algorithmic complexity involved in DNNs training under HE. In this paper, we present ReBoot, the first framework to enable fully encrypted and non-interactive training of DNNs. Built upon the CKKS scheme, ReBoot introduces a novel HE-compliant neural network architecture based on local error signals, specifically designed to minimize multiplicative depth and reduce noise accumulation. ReBoot employs a tailored packing strategy that leverages real-number arithmetic via SIMD operations, significantly lowering both computational and memory overhead. Furthermore, by integrating approximate bootstrapping, ReBoot learning algorithm supports effective training of arbitrarily deep multi-layer perceptrons, making it well-suited for machine learning as-a-service. ReBoot is evaluated on both image recognition and tabular benchmarks, achieving accuracy comparable to 32-bit floating-point plaintext training while enabling fully encrypted training. It improves test accuracy by up to +3.27% over encrypted logistic regression, and up to +6.83% over existing encrypted DNN frameworks, while reducing training latency by up to 8.83x. ReBoot is made available to the scientific community as a public repository.
☆ Leveraging Lightweight Generators for Memory Efficient Continual Learning
Catastrophic forgetting can be trivially alleviated by keeping all data from previous tasks in memory. Therefore, minimizing the memory footprint while maximizing the amount of relevant information is crucial to the challenge of continual learning. This paper aims to decrease required memory for memory-based continuous learning algorithms. We explore the options of extracting a minimal amount of information, while maximally alleviating forgetting. We propose the usage of lightweight generators based on Singular Value Decomposition to enhance existing continual learning methods, such as A-GEM and Experience Replay. These generators need a minimal amount of memory while being maximally effective. They require no training time, just a single linear-time fitting step, and can capture a distribution effectively from a small number of data samples. Depending on the dataset and network architecture, our results show a significant increase in average accuracy compared to the original methods. Our method shows great potential in minimizing the memory footprint of memory-based continual learning algorithms.
☆ When Can We Reuse a Calibration Set for Multiple Conformal Predictions?
Reliable uncertainty quantification is crucial for the trustworthiness of machine learning applications. Inductive Conformal Prediction (ICP) offers a distribution-free framework for generating prediction sets or intervals with user-specified confidence. However, standard ICP guarantees are marginal and typically require a fresh calibration set for each new prediction to maintain their validity. This paper addresses this practical limitation by demonstrating how e-conformal prediction, in conjunction with Hoeffding's inequality, can enable the repeated use of a single calibration set with a high probability of preserving the desired coverage. Through a case study on the CIFAR-10 dataset, we train a deep neural network and utilise a calibration set to estimate a Hoeffding correction. This correction allows us to apply a modified Markov's inequality, leading to the construction of prediction sets with quantifiable confidence. Our results illustrate the feasibility of maintaining provable performance in conformal prediction while enhancing its practicality by reducing the need for repeated calibration. The code for this work is publicly available.
☆ Semantic Scene Graph for Ultrasound Image Explanation and Scanning Guidance
Understanding medical ultrasound imaging remains a long-standing challenge due to significant visual variability caused by differences in imaging and acquisition parameters. Recent advancements in large language models (LLMs) have been used to automatically generate terminology-rich summaries orientated to clinicians with sufficient physiological knowledge. Nevertheless, the increasing demand for improved ultrasound interpretability and basic scanning guidance among non-expert users, e.g., in point-of-care settings, has not yet been explored. In this study, we first introduce the scene graph (SG) for ultrasound images to explain image content to ordinary and provide guidance for ultrasound scanning. The ultrasound SG is first computed using a transformer-based one-stage method, eliminating the need for explicit object detection. To generate a graspable image explanation for ordinary, the user query is then used to further refine the abstract SG representation through LLMs. Additionally, the predicted SG is explored for its potential in guiding ultrasound scanning toward missing anatomies within the current imaging view, assisting ordinary users in achieving more standardized and complete anatomical exploration. The effectiveness of this SG-based image explanation and scanning guidance has been validated on images from the left and right neck regions, including the carotid and thyroid, across five volunteers. The results demonstrate the potential of the method to maximally democratize ultrasound by enhancing its interpretability and usability for ordinaries.
☆ Model Guidance via Robust Feature Attribution
Controlling the patterns a model learns is essential to preventing reliance on irrelevant or misleading features. Such reliance on irrelevant features, often called shortcut features, has been observed across domains, including medical imaging and natural language processing, where it may lead to real-world harms. A common mitigation strategy leverages annotations (provided by humans or machines) indicating which features are relevant or irrelevant. These annotations are compared to model explanations, typically in the form of feature salience, and used to guide the loss function during training. Unfortunately, recent works have demonstrated that feature salience methods are unreliable and therefore offer a poor signal to optimize. In this work, we propose a simplified objective that simultaneously optimizes for explanation robustness and mitigation of shortcut learning. Unlike prior objectives with similar aims, we demonstrate theoretically why our approach ought to be more effective. Across a comprehensive series of experiments, we show that our approach consistently reduces test-time misclassifications by 20% compared to state-of-the-art methods. We also extend prior experimental settings to include natural language processing tasks. Additionally, we conduct novel ablations that yield practical insights, including the relative importance of annotation quality over quantity. Code for our method and experiments is available at: https://github.com/Mihneaghitu/ModelGuidanceViaRobustFeatureAttribution.
☆ Higher-Order Graph Databases
Recent advances in graph databases (GDBs) have been driving interest in large-scale analytics, yet current systems fail to support higher-order (HO) interactions beyond first-order (one-hop) relations, which are crucial for tasks such as subgraph counting, polyadic modeling, and HO graph learning. We address this by introducing a new class of systems, higher-order graph databases (HO-GDBs) that use lifting and lowering paradigms to seamlessly extend traditional GDBs with HO. We provide a theoretical analysis of OLTP and OLAP queries, ensuring correctness, scalability, and ACID compliance. We implement a lightweight, modular, and parallelizable HO-GDB prototype that offers native support for hypergraphs, node-tuples, subgraphs, and other HO structures under a unified API. The prototype scales to large HO OLTP & OLAP workloads and shows how HO improves analytical tasks, for example enhancing accuracy of graph neural networks within a GDB by 44%. Our work ensures low latency and high query throughput, and generalizes both ACID-compliant and eventually consistent systems.
☆ PEVLM: Parallel Encoding for Vision-Language Models
Vision-Language Models (VLMs) have demonstrated strong performance in video-language tasks, yet their application to long video understanding remains constrained by the quadratic complexity of standard attention mechanisms. In this paper, we propose \textbf{PEVLM}, a parallel encoding strategy specifically designed to improve the prefill efficiency of VLMs without requiring model finetuning. PEVLM partitions the input into block-wise segments with a shared sink, preserves full-attention positional embeddings, and aligns attention weights to mimic full-attention distributions. This design reduces attention computation from $O((T \times N)^2)$ to $O(T \times N)$ while maintaining high accuracy. Extensive experiments on the LongVideoBench benchmark show that PEVLM achieves up to 8.37\% accuracy improvement over existing inference-efficient methods and delivers up to 7.47x speedup in attention computation and 40\% reduction in end-to-end latency. Under strict latency constraints, PEVLM significantly outperforms baselines, raising accuracy from 23.26\% to 61.03\%. These results highlight PEVLM's effectiveness for low-latency, long-context video understanding, making it well-suited for real-world applications such as autonomous driving.
☆ Tensor-Parallelism with Partially Synchronized Activations
Training and inference of Large Language Models (LLMs) with tensor-parallelism requires substantial communication to synchronize activations. Our findings suggest that with a few minor adjustments to current practices, LLMs can be trained without fully synchronizing activations, reducing bandwidth demands. We name this "Communication-Aware Architecture for Tensor-parallelism" (CAAT-Net). We train 1B and 7B parameter CAAT-Net models, with a 50% reduction in tensor-parallel communication and no significant drop in pretraining accuracy. Furthermore, we demonstrate how CAAT-Net accelerates both training and inference workloads.
☆ Unsupervised Data Generation for Offline Reinforcement Learning: A Perspective from Model
Offline reinforcement learning (RL) recently gains growing interests from RL researchers. However, the performance of offline RL suffers from the out-of-distribution problem, which can be corrected by feedback in online RL. Previous offline RL research focuses on restricting the offline algorithm in in-distribution even in-sample action sampling. In contrast, fewer work pays attention to the influence of the batch data. In this paper, we first build a bridge over the batch data and the performance of offline RL algorithms theoretically, from the perspective of model-based offline RL optimization. We draw a conclusion that, with mild assumptions, the distance between the state-action pair distribution generated by the behavioural policy and the distribution generated by the optimal policy, accounts for the performance gap between the policy learned by model-based offline RL and the optimal policy. Secondly, we reveal that in task-agnostic settings, a series of policies trained by unsupervised RL can minimize the worst-case regret in the performance gap. Inspired by the theoretical conclusions, UDG (Unsupervised Data Generation) is devised to generate data and select proper data for offline training under tasks-agnostic settings. Empirical results demonstrate that UDG can outperform supervised data generation on solving unknown tasks.
☆ Hierarchical Time Series Forecasting Via Latent Mean Encoding
Coherently forecasting the behaviour of a target variable across both coarse and fine temporal scales is crucial for profit-optimized decision-making in several business applications, and remains an open research problem in temporal hierarchical forecasting. Here, we propose a new hierarchical architecture that tackles this problem by leveraging modules that specialize in forecasting the different temporal aggregation levels of interest. The architecture, which learns to encode the average behaviour of the target variable within its hidden layers, makes accurate and coherent forecasts across the target temporal hierarchies. We validate our architecture on the challenging, real-world M5 dataset and show that it outperforms established methods, such as the TSMixer model.
☆ Why Uncertainty Calibration Matters for Reliable Perturbation-based Explanations ICLR 2025
Perturbation-based explanations are widely utilized to enhance the transparency of modern machine-learning models. However, their reliability is often compromised by the unknown model behavior under the specific perturbations used. This paper investigates the relationship between uncertainty calibration - the alignment of model confidence with actual accuracy - and perturbation-based explanations. We show that models frequently produce unreliable probability estimates when subjected to explainability-specific perturbations and theoretically prove that this directly undermines explanation quality. To address this, we introduce ReCalX, a novel approach to recalibrate models for improved perturbation-based explanations while preserving their original predictions. Experiments on popular computer vision models demonstrate that our calibration strategy produces explanations that are more aligned with human perception and actual object locations.
comment: ICLR 2025 Workshop: XAI4Science: From Understanding Model Behavior to Discovering New Scientific Knowledge
☆ Operator Forces For Coarse-Grained Molecular Dynamics
Coarse-grained (CG) molecular dynamics simulations extend the length and time scale of atomistic simulations by replacing groups of correlated atoms with CG beads. Machine-learned coarse-graining (MLCG) has recently emerged as a promising approach to construct highly accurate force fields for CG molecular dynamics. However, the calibration of MLCG force fields typically hinges on force matching, which demands extensive reference atomistic trajectories with corresponding force labels. In practice, atomistic forces are often not recorded, making traditional force matching infeasible on pre-existing datasets. Recently, noise-based kernels have been introduced to adapt force matching to the low-data regime, including situations in which reference atomistic forces are not present. While this approach produces force fields which recapitulate slow collective motion, it introduces significant local distortions due to the corrupting effects of the noise-based kernel. In this work, we introduce more general kernels based on normalizing flows that substantially reduce these local distortions while preserving global conformational accuracy. We demonstrate our method on small proteins, showing that flow-based kernels can generate high-quality CG forces solely from configurational samples.
☆ Scaling Up Unbiased Search-based Symbolic Regression
In a regression task, a function is learned from labeled data to predict the labels at new data points. The goal is to achieve small prediction errors. In symbolic regression, the goal is more ambitious, namely, to learn an interpretable function that makes small prediction errors. This additional goal largely rules out the standard approach used in regression, that is, reducing the learning problem to learning parameters of an expansion of basis functions by optimization. Instead, symbolic regression methods search for a good solution in a space of symbolic expressions. To cope with the typically vast search space, most symbolic regression methods make implicit, or sometimes even explicit, assumptions about its structure. Here, we argue that the only obvious structure of the search space is that it contains small expressions, that is, expressions that can be decomposed into a few subexpressions. We show that systematically searching spaces of small expressions finds solutions that are more accurate and more robust against noise than those obtained by state-of-the-art symbolic regression methods. In particular, systematic search outperforms state-of-the-art symbolic regressors in terms of its ability to recover the true underlying symbolic expressions on established benchmark data sets.
☆ Beyond Static Models: Hypernetworks for Adaptive and Generalizable Forecasting in Complex Parametric Dynamical Systems
Dynamical systems play a key role in modeling, forecasting, and decision-making across a wide range of scientific domains. However, variations in system parameters, also referred to as parametric variability, can lead to drastically different model behavior and output, posing challenges for constructing models that generalize across parameter regimes. In this work, we introduce the Parametric Hypernetwork for Learning Interpolated Networks (PHLieNet), a framework that simultaneously learns: (a) a global mapping from the parameter space to a nonlinear embedding and (b) a mapping from the inferred embedding to the weights of a dynamics propagation network. The learned embedding serves as a latent representation that modulates a base network, termed the hypernetwork, enabling it to generate the weights of a target network responsible for forecasting the system's state evolution conditioned on the previous time history. By interpolating in the space of models rather than observations, PHLieNet facilitates smooth transitions across parameterized system behaviors, enabling a unified model that captures the dynamic behavior across a broad range of system parameterizations. The performance of the proposed technique is validated in a series of dynamical systems with respect to its ability to extrapolate in time and interpolate and extrapolate in the parameter space, i.e., generalize to dynamics that were unseen during training. In all cases, our approach outperforms or matches state-of-the-art baselines in both short-term forecast accuracy and in capturing long-term dynamical features, such as attractor statistics.
☆ ChordPrompt: Orchestrating Cross-Modal Prompt Synergy for Multi-Domain Incremental Learning in CLIP KDD 2025
Continual learning (CL) empowers pre-trained vision-language models to adapt effectively to novel or previously underrepresented data distributions without comprehensive retraining, enhancing their adaptability and efficiency. While vision-language models like CLIP show great promise, they struggle to maintain performance across domains in incremental learning scenarios. Existing prompt learning methods face two main limitations: 1) they primarily focus on class-incremental learning scenarios, lacking specific strategies for multi-domain task incremental learning; 2) most current approaches employ single-modal prompts, neglecting the potential benefits of cross-modal information exchange. To address these challenges, we propose the \ChordPrompt framework, which facilitates a harmonious interplay between visual and textual prompts. \ChordPrompt introduces cross-modal prompts to leverage interactions between visual and textual information. Our approach also employs domain-adaptive text prompts to select appropriate prompts for continual adaptation across multiple domains. Comprehensive experiments on multi-domain incremental learning benchmarks demonstrate that \ChordPrompt outperforms state-of-the-art methods in zero-shot generalization and downstream task performance.
comment: Accept by ECML-PKDD 2025
☆ Training Flexible Models of Genetic Variant Effects from Functional Annotations using Accelerated Linear Algebra ICML 2025
To understand how genetic variants in human genomes manifest in phenotypes -- traits like height or diseases like asthma -- geneticists have sequenced and measured hundreds of thousands of individuals. Geneticists use this data to build models that predict how a genetic variant impacts phenotype given genomic features of the variant, like DNA accessibility or the presence of nearby DNA-bound proteins. As more data and features become available, one might expect predictive models to improve. Unfortunately, training these models is bottlenecked by the need to solve expensive linear algebra problems because variants in the genome are correlated with nearby variants, requiring inversion of large matrices. Previous methods have therefore been restricted to fitting small models, and fitting simplified summary statistics, rather than the full likelihood of the statistical model. In this paper, we leverage modern fast linear algebra techniques to develop DeepWAS (Deep genome Wide Association Studies), a method to train large and flexible neural network predictive models to optimize likelihood. Notably, we find that larger models only improve performance when using our full likelihood approach; when trained by fitting traditional summary statistics, larger models perform no better than small ones. We find larger models trained on more features make better predictions, potentially improving disease predictions and therapeutic target identification.
comment: For example: ICML 2025. Code available at: https://github.com/AlanNawzadAmin/DeepWAS
☆ Vision Transformer-Based Time-Series Image Reconstruction for Cloud-Filling Applications
Cloud cover in multispectral imagery (MSI) poses significant challenges for early season crop mapping, as it leads to missing or corrupted spectral information. Synthetic aperture radar (SAR) data, which is not affected by cloud interference, offers a complementary solution, but lack sufficient spectral detail for precise crop mapping. To address this, we propose a novel framework, Time-series MSI Image Reconstruction using Vision Transformer (ViT), to reconstruct MSI data in cloud-covered regions by leveraging the temporal coherence of MSI and the complementary information from SAR from the attention mechanism. Comprehensive experiments, using rigorous reconstruction evaluation metrics, demonstrate that Time-series ViT framework significantly outperforms baselines that use non-time-series MSI and SAR or time-series MSI without SAR, effectively enhancing MSI image reconstruction in cloud-covered regions.
comment: This paper has been accepted as a conference paper at the 2025 IEEE International Geoscience and Remote Sensing Symposium (IGARSS)
☆ ConStellaration: A dataset of QI-like stellarator plasma boundaries and optimization benchmarks
Stellarators are magnetic confinement devices under active development to deliver steady-state carbon-free fusion energy. Their design involves a high-dimensional, constrained optimization problem that requires expensive physics simulations and significant domain expertise. Recent advances in plasma physics and open-source tools have made stellarator optimization more accessible. However, broader community progress is currently bottlenecked by the lack of standardized optimization problems with strong baselines and datasets that enable data-driven approaches, particularly for quasi-isodynamic (QI) stellarator configurations, considered as a promising path to commercial fusion due to their inherent resilience to current-driven disruptions. Here, we release an open dataset of diverse QI-like stellarator plasma boundary shapes, paired with their ideal magnetohydrodynamic (MHD) equilibria and performance metrics. We generated this dataset by sampling a variety of QI fields and optimizing corresponding stellarator plasma boundaries. We introduce three optimization benchmarks of increasing complexity: (1) a single-objective geometric optimization problem, (2) a "simple-to-build" QI stellarator, and (3) a multi-objective ideal-MHD stable QI stellarator that investigates trade-offs between compactness and coil simplicity. For every benchmark, we provide reference code, evaluation scripts, and strong baselines based on classical optimization techniques. Finally, we show how learned models trained on our dataset can efficiently generate novel, feasible configurations without querying expensive physics oracles. By openly releasing the dataset along with benchmark problems and baselines, we aim to lower the entry barrier for optimization and machine learning researchers to engage in stellarator design and to accelerate cross-disciplinary progress toward bringing fusion energy to the grid.
☆ Fake or Real, Can Robots Tell? Evaluating Embodied Vision-Language Models on Real and 3D-Printed Objects
Robotic scene understanding increasingly relies on vision-language models (VLMs) to generate natural language descriptions of the environment. In this work, we present a comparative study of captioning strategies for tabletop scenes captured by a robotic arm equipped with an RGB camera. The robot collects images of objects from multiple viewpoints, and we evaluate several models that generate scene descriptions. We compare the performance of various captioning models, like BLIP and VLMs. Our experiments examine the trade-offs between single-view and multi-view captioning, and difference between recognising real-world and 3D printed objects. We quantitatively evaluate object identification accuracy, completeness, and naturalness of the generated captions. Results show that VLMs can be used in robotic settings where common objects need to be recognised, but fail to generalise to novel representations. Our findings provide practical insights into deploying foundation models for embodied agents in real-world settings.
☆ FAF: A Feature-Adaptive Framework for Few-Shot Time Series Forecasting
Multi-task and few-shot time series forecasting tasks are commonly encountered in scenarios such as the launch of new products in different cities. However, traditional time series forecasting methods suffer from insufficient historical data, which stems from a disregard for the generalized and specific features among different tasks. For the aforementioned challenges, we propose the Feature-Adaptive Time Series Forecasting Framework (FAF), which consists of three key components: the Generalized Knowledge Module (GKM), the Task-Specific Module (TSM), and the Rank Module (RM). During training phase, the GKM is updated through a meta-learning mechanism that enables the model to extract generalized features across related tasks. Meanwhile, the TSM is trained to capture diverse local dynamics through multiple functional regions, each of which learns specific features from individual tasks. During testing phase, the RM dynamically selects the most relevant functional region from the TSM based on input sequence features, which is then combined with the generalized knowledge learned by the GKM to generate accurate forecasts. This design enables FAF to achieve robust and personalized forecasting even with sparse historical observations We evaluate FAF on five diverse real-world datasets under few-shot time series forecasting settings. Experimental results demonstrate that FAF consistently outperforms baselines that include three categories of time series forecasting methods. In particular, FAF achieves a 41.81\% improvement over the best baseline, iTransformer, on the CO$_2$ emissions dataset.
comment: 12 pages,4 figures, 8 tables
☆ ConCM: Consistency-Driven Calibration and Matching for Few-Shot Class-Incremental Learning
Few-Shot Class-Incremental Learning (FSCIL) requires models to adapt to novel classes with limited supervision while preserving learned knowledge. Existing prospective learning-based space construction methods reserve space to accommodate novel classes. However, prototype deviation and structure fixity limit the expressiveness of the embedding space. In contrast to fixed space reservation, we explore the optimization of feature-structure dual consistency and propose a Consistency-driven Calibration and Matching Framework (ConCM) that systematically mitigate the knowledge conflict inherent in FSCIL. Specifically, inspired by hippocampal associative memory, we design a memory-aware prototype calibration that extracts generalized semantic attributes from base classes and reintegrates them into novel classes to enhance the conceptual center consistency of features. Further, we propose dynamic structure matching, which adaptively aligns the calibrated features to a session-specific optimal manifold space, ensuring cross-session structure consistency. Theoretical analysis shows that our method satisfies both geometric optimality and maximum matching, thereby overcoming the need for class-number priors. On large-scale FSCIL benchmarks including mini-ImageNet and CUB200, ConCM achieves state-of-the-art performance, surpassing current optimal method by 3.20% and 3.68% in harmonic accuracy of incremental sessions.
comment: 9 pages, 5 figures(Excluding the appendix)
☆ General Methods Make Great Domain-specific Foundation Models: A Case-study on Fetal Ultrasound MICCAI 2025
With access to large-scale, unlabeled medical datasets, researchers are confronted with two questions: Should they attempt to pretrain a custom foundation model on this medical data, or use transfer-learning from an existing generalist model? And, if a custom model is pretrained, are novel methods required? In this paper we explore these questions by conducting a case-study, in which we train a foundation model on a large regional fetal ultrasound dataset of 2M images. By selecting the well-established DINOv2 method for pretraining, we achieve state-of-the-art results on three fetal ultrasound datasets, covering data from different countries, classification, segmentation, and few-shot tasks. We compare against a series of models pretrained on natural images, ultrasound images, and supervised baselines. Our results demonstrate two key insights: (i) Pretraining on custom data is worth it, even if smaller models are trained on less data, as scaling in natural image pretraining does not translate to ultrasound performance. (ii) Well-tuned methods from computer vision are making it feasible to train custom foundation models for a given medical domain, requiring no hyperparameter tuning and little methodological adaptation. Given these findings, we argue that a bias towards methodological innovation should be avoided when developing domain specific foundation models under common computational resource constraints.
comment: Submitted version of paper accepted at MICCAI 2025
☆ Discovering Symmetries of ODEs by Symbolic Regression
Solving systems of ordinary differential equations (ODEs) is essential when it comes to understanding the behavior of dynamical systems. Yet, automated solving remains challenging, in particular for nonlinear systems. Computer algebra systems (CASs) provide support for solving ODEs by first simplifying them, in particular through the use of Lie point symmetries. Finding these symmetries is, however, itself a difficult problem for CASs. Recent works in symbolic regression have shown promising results for recovering symbolic expressions from data. Here, we adapt search-based symbolic regression to the task of finding generators of Lie point symmetries. With this approach, we can find symmetries of ODEs that existing CASs cannot find.
☆ RCStat: A Statistical Framework for using Relative Contextualization in Transformers
Prior work on input-token importance in auto-regressive transformers has relied on Softmax-normalized attention weights, which obscure the richer structure of pre-Softmax query-key logits. We introduce RCStat, a statistical framework that harnesses raw attention logits via Relative Contextualization (RC), a random variable measuring contextual alignment between token segments, and derive an efficient upper bound for RC. We demonstrate two applications: (i) Key-Value compression, where RC-based thresholds drive adaptive key-value eviction for substantial cache reduction with minimal quality loss; and (ii) Attribution, where RC yields higher-fidelity token-, sentence-, and chunk-level explanations than post-Softmax methods. Across question answering, summarization, and attribution benchmarks, RCStat achieves significant empirical gains, delivering state-of-the-art compression and attribution performance without any model retraining.
☆ Overtuning in Hyperparameter Optimization
Hyperparameter optimization (HPO) aims to identify an optimal hyperparameter configuration (HPC) such that the resulting model generalizes well to unseen data. As the expected generalization error cannot be optimized directly, it is estimated with a resampling strategy, such as holdout or cross-validation. This approach implicitly assumes that minimizing the validation error leads to improved generalization. However, since validation error estimates are inherently stochastic and depend on the resampling strategy, a natural question arises: Can excessive optimization of the validation error lead to overfitting at the HPO level, akin to overfitting in model training based on empirical risk minimization? In this paper, we investigate this phenomenon, which we term overtuning, a form of overfitting specific to HPO. Despite its practical relevance, overtuning has received limited attention in the HPO and AutoML literature. We provide a formal definition of overtuning and distinguish it from related concepts such as meta-overfitting. We then conduct a large-scale reanalysis of HPO benchmark data to assess the prevalence and severity of overtuning. Our results show that overtuning is more common than previously assumed, typically mild but occasionally severe. In approximately 10% of cases, overtuning leads to the selection of a seemingly optimal HPC with worse generalization error than the default or first configuration tried. We further analyze how factors such as performance metric, resampling strategy, dataset size, learning algorithm, and HPO method affect overtuning and discuss mitigation strategies. Our results highlight the need to raise awareness of overtuning, particularly in the small-data regime, indicating that further mitigation strategies should be studied.
comment: Accepted at the Fourth Conference on Automated Machine Learning (Methods Track). 43 pages, 9 tables, 14 figures
☆ Dimension Reduction for Symbolic Regression
Solutions of symbolic regression problems are expressions that are composed of input variables and operators from a finite set of function symbols. One measure for evaluating symbolic regression algorithms is their ability to recover formulae, up to symbolic equivalence, from finite samples. Not unexpectedly, the recovery problem becomes harder when the formula gets more complex, that is, when the number of variables and operators gets larger. Variables in naturally occurring symbolic formulas often appear only in fixed combinations. This can be exploited in symbolic regression by substituting one new variable for the combination, effectively reducing the number of variables. However, finding valid substitutions is challenging. Here, we address this challenge by searching over the expression space of small substitutions and testing for validity. The validity test is reduced to a test of functional dependence. The resulting iterative dimension reduction procedure can be used with any symbolic regression approach. We show that it reliably identifies valid substitutions and significantly boosts the performance of different types of state-of-the-art symbolic regression algorithms.
☆ Identifying Physically Realizable Triggers for Backdoored Face Recognition Networks
Backdoor attacks embed a hidden functionality into deep neural networks, causing the network to display anomalous behavior when activated by a predetermined pattern in the input Trigger, while behaving well otherwise on public test data. Recent works have shown that backdoored face recognition (FR) systems can respond to natural-looking triggers like a particular pair of sunglasses. Such attacks pose a serious threat to the applicability of FR systems in high-security applications. We propose a novel technique to (1) detect whether an FR network is compromised with a natural, physically realizable trigger, and (2) identify such triggers given a compromised network. We demonstrate the effectiveness of our methods with a compromised FR network, where we are able to identify the trigger (e.g., green sunglasses or red hat) with a top-5 accuracy of 74%, whereas a naive brute force baseline achieves 56% accuracy.
comment: Accepted to ICIP 2021
☆ Visual hallucination detection in large vision-language models via evidential conflict
Despite the remarkable multimodal capabilities of Large Vision-Language Models (LVLMs), discrepancies often occur between visual inputs and textual outputs--a phenomenon we term visual hallucination. This critical reliability gap poses substantial risks in safety-critical Artificial Intelligence (AI) applications, necessitating a comprehensive evaluation benchmark and effective detection methods. Firstly, we observe that existing visual-centric hallucination benchmarks mainly assess LVLMs from a perception perspective, overlooking hallucinations arising from advanced reasoning capabilities. We develop the Perception-Reasoning Evaluation Hallucination (PRE-HAL) dataset, which enables the systematic evaluation of both perception and reasoning capabilities of LVLMs across multiple visual semantics, such as instances, scenes, and relations. Comprehensive evaluation with this new benchmark exposed more visual vulnerabilities, particularly in the more challenging task of relation reasoning. To address this issue, we propose, to the best of our knowledge, the first Dempster-Shafer theory (DST)-based visual hallucination detection method for LVLMs through uncertainty estimation. This method aims to efficiently capture the degree of conflict in high-level features at the model inference phase. Specifically, our approach employs simple mass functions to mitigate the computational complexity of evidence combination on power sets. We conduct an extensive evaluation of state-of-the-art LVLMs, LLaVA-v1.5, mPLUG-Owl2 and mPLUG-Owl3, with the new PRE-HAL benchmark. Experimental results indicate that our method outperforms five baseline uncertainty metrics, achieving average AUROC improvements of 4%, 10%, and 7% across three LVLMs. Our code is available at https://github.com/HT86159/Evidential-Conflict.
☆ MATE: LLM-Powered Multi-Agent Translation Environment for Accessibility Applications
Accessibility remains a critical concern in today's society, as many technologies are not developed to support the full range of user needs. Existing multi-agent systems (MAS) often cannot provide comprehensive assistance for users in need due to the lack of customization stemming from closed-source designs. Consequently, individuals with disabilities frequently encounter significant barriers when attempting to interact with digital environments. We introduce MATE, a multimodal accessibility MAS, which performs the modality conversions based on the user's needs. The system is useful for assisting people with disabilities by ensuring that data will be converted to an understandable format. For instance, if the user cannot see well and receives an image, the system converts this image to its audio description. MATE can be applied to a wide range of domains, industries, and areas, such as healthcare, and can become a useful assistant for various groups of users. The system supports multiple types of models, ranging from LLM API calling to using custom machine learning (ML) classifiers. This flexibility ensures that the system can be adapted to various needs and is compatible with a wide variety of hardware. Since the system is expected to run locally, it ensures the privacy and security of sensitive information. In addition, the framework can be effectively integrated with institutional technologies (e.g., digital healthcare service) for real-time user assistance. Furthermore, we introduce ModCon-Task-Identifier, a model that is capable of extracting the precise modality conversion task from the user input. Numerous experiments show that ModCon-Task-Identifier consistently outperforms other LLMs and statistical models on our custom data. Our code and data are publicly available at https://github.com/AlgazinovAleksandr/Multi-Agent-MATE.
☆ NaviAgent: Bilevel Planning on Tool Dependency Graphs for Function Calling
LLMs' reliance on static knowledge and fragile tool invocation severely hinders the orchestration of complex, heterogeneous toolchains, particularly at large scales. Existing methods typically use rigid single-path execution, resulting in poor error recovery and exponentially growing search spaces. We introduce NaviAgent, a graph-navigated bilevel planning architecture for robust function calling, comprising a Multi-Path Decider and Graph-Encoded Navigator. As an LLM-powered agent, the Multi-Path Decider defines a four-dimensional decision space and continuously perceives environmental states, dynamically selecting the optimal action to fully cover all tool invocation scenarios. The Graph-Encoded Navigator constructs a Tool Dependency Heterogeneous Graph (TDHG), where node embeddings explicitly fuse API schema structure with historical invocation behavior. It also integrates a novel heuristic search strategy that guides the Decider toward efficient and highly successful toolchains, even for unseen tool combinations. Experiments show that NaviAgent consistently achieves the highest task success rate (TSR) across all foundation models and task complexities, outperforming the average baselines (ReAct, ToolLLM, {\alpha}-UMI) by 13.5%, 16.4%, and 19.0% on Qwen2.5-14B, Qwen2.5-32B, and Deepseek-V3, respectively. Its execution steps are typically within one step of the most efficient baseline, ensuring a strong balance between quality and efficiency. Notably, a fine-tuned Qwen2.5-14B model achieves a TSR of 49.5%, surpassing the much larger 32B model (44.9%) under our architecture. Incorporating the Graph-Encoded Navigator further boosts TSR by an average of 2.4 points, with gains up over 9 points on complex tasks for larger models (Deepseek-V3 and GPT-4o), highlighting its essential role in toolchain orchestration.
☆ COLUR: Confidence-Oriented Learning, Unlearning and Relearning with Noisy-Label Data for Model Restoration and Refinement IJCAI 2025
Large deep learning models have achieved significant success in various tasks. However, the performance of a model can significantly degrade if it is needed to train on datasets with noisy labels with misleading or ambiguous information. To date, there are limited investigations on how to restore performance when model degradation has been incurred by noisy label data. Inspired by the ``forgetting mechanism'' in neuroscience, which enables accelerating the relearning of correct knowledge by unlearning the wrong knowledge, we propose a robust model restoration and refinement (MRR) framework COLUR, namely Confidence-Oriented Learning, Unlearning and Relearning. Specifically, we implement COLUR with an efficient co-training architecture to unlearn the influence of label noise, and then refine model confidence on each label for relearning. Extensive experiments are conducted on four real datasets and all evaluation results show that COLUR consistently outperforms other SOTA methods after MRR.
comment: IJCAI 2025
☆ Recalling The Forgotten Class Memberships: Unlearned Models Can Be Noisy Labelers to Leak Privacy IJCAI 2025
Machine Unlearning (MU) technology facilitates the removal of the influence of specific data instances from trained models on request. Despite rapid advancements in MU technology, its vulnerabilities are still underexplored, posing potential risks of privacy breaches through leaks of ostensibly unlearned information. Current limited research on MU attacks requires access to original models containing privacy data, which violates the critical privacy-preserving objective of MU. To address this gap, we initiate an innovative study on recalling the forgotten class memberships from unlearned models (ULMs) without requiring access to the original one. Specifically, we implement a Membership Recall Attack (MRA) framework with a teacher-student knowledge distillation architecture, where ULMs serve as noisy labelers to transfer knowledge to student models. Then, it is translated into a Learning with Noisy Labels (LNL) problem for inferring the correct labels of the forgetting instances. Extensive experiments on state-of-the-art MU methods with multiple real datasets demonstrate that the proposed MRA strategy exhibits high efficacy in recovering class memberships of unlearned instances. As a result, our study and evaluation have established a benchmark for future research on MU vulnerabilities.
comment: IJCAI 2025
☆ Fast and Distributed Equivariant Graph Neural Networks by Virtual Node Learning
Equivariant Graph Neural Networks (GNNs) have achieved remarkable success across diverse scientific applications. However, existing approaches face critical efficiency challenges when scaling to large geometric graphs and suffer significant performance degradation when the input graphs are sparsified for computational tractability. To address these limitations, we introduce FastEGNN and DistEGNN, two novel enhancements to equivariant GNNs for large-scale geometric graphs. FastEGNN employs a key innovation: a small ordered set of virtual nodes that effectively approximates the large unordered graph of real nodes. Specifically, we implement distinct message passing and aggregation mechanisms for different virtual nodes to ensure mutual distinctiveness, and minimize Maximum Mean Discrepancy (MMD) between virtual and real coordinates to achieve global distributedness. This design enables FastEGNN to maintain high accuracy while efficiently processing large-scale sparse graphs. For extremely large-scale geometric graphs, we present DistEGNN, a distributed extension where virtual nodes act as global bridges between subgraphs in different devices, maintaining consistency while dramatically reducing memory and computational overhead. We comprehensively evaluate our models across four challenging domains: N-body systems (100 nodes), protein dynamics (800 nodes), Water-3D (8,000 nodes), and our new Fluid113K benchmark (113,000 nodes). Results demonstrate superior efficiency and performance, establishing new capabilities in large-scale equivariant graph learning. Code is available at https://github.com/GLAD-RUC/DistEGNN.
☆ ADDQ: Adaptive Distributional Double Q-Learning
Bias problems in the estimation of $Q$-values are a well-known obstacle that slows down convergence of $Q$-learning and actor-critic methods. One of the reasons of the success of modern RL algorithms is partially a direct or indirect overestimation reduction mechanism. We propose an easy to implement method built on top of distributional reinforcement learning (DRL) algorithms to deal with the overestimation in a locally adaptive way. Our framework is simple to implement, existing distributional algorithms can be improved with a few lines of code. We provide theoretical evidence and use double $Q$-learning to show how to include locally adaptive overestimation control in existing algorithms. Experiments are provided for tabular, Atari, and MuJoCo environments.
☆ Stylized Structural Patterns for Improved Neural Network Pre-training
Modern deep learning models in computer vision require large datasets of real images, which are difficult to curate and pose privacy and legal concerns, limiting their commercial use. Recent works suggest synthetic data as an alternative, yet models trained with it often underperform. This paper proposes a two-step approach to bridge this gap. First, we propose an improved neural fractal formulation through which we introduce a new class of synthetic data. Second, we propose reverse stylization, a technique that transfers visual features from a small, license-free set of real images onto synthetic datasets, enhancing their effectiveness. We analyze the domain gap between our synthetic datasets and real images using Kernel Inception Distance (KID) and show that our method achieves a significantly lower distributional gap compared to existing synthetic datasets. Furthermore, our experiments across different tasks demonstrate the practical impact of this reduced gap. We show that pretraining the EDM2 diffusion model on our synthetic dataset leads to an 11% reduction in FID during image generation, compared to models trained on existing synthetic datasets, and a 20% decrease in autoencoder reconstruction error, indicating improved performance in data representation. Furthermore, a ViT-S model trained for classification on this synthetic data achieves over a 10% improvement in ImageNet-100 accuracy. Our work opens up exciting possibilities for training practical models when sufficiently large real training sets are not available.
☆ Tagged for Direction: Pinning Down Causal Edge Directions with Precision
Not every causal relation between variables is equal, and this can be leveraged for the task of causal discovery. Recent research shows that pairs of variables with particular type assignments induce a preference on the causal direction of other pairs of variables with the same type. Although useful, this assignment of a specific type to a variable can be tricky in practice. We propose a tag-based causal discovery approach where multiple tags are assigned to each variable in a causal graph. Existing causal discovery approaches are first applied to direct some edges, which are then used to determine edge relations between tags. Then, these edge relations are used to direct the undirected edges. Doing so improves upon purely type-based relations, where the assumption of type consistency lacks robustness and flexibility due to being restricted to single types for each variable. Our experimental evaluations show that this boosts causal discovery and that these high-level tag relations fit common knowledge.
☆ Low-Complexity Semantic Packet Aggregation for Token Communication via Lookahead Search
Tokens are fundamental processing units of generative AI (GenAI) and large language models (LLMs), and token communication (TC) is essential for enabling remote AI-generate content (AIGC) and wireless LLM applications. Unlike traditional bits, each of which is independently treated, the semantics of each token depends on its surrounding context tokens. This inter-token dependency makes TC vulnerable to outage channels, where the loss of a single token can significantly distort the original message semantics. Motivated by this, this paper focuses on optimizing token packetization to maximize the average token similarity (ATS) between the original and received token messages under outage channels. Due to inter-token dependency, this token grouping problem is combinatorial, with complexity growing exponentially with message length. To address this, we propose a novel framework of semantic packet aggregation with lookahead search (SemPA-Look), built on two core ideas. First, it introduces the residual semantic score (RSS) as a token-level surrogate for the message-level ATS, allowing robust semantic preservation even when a certain token packet is lost. Second, instead of full search, SemPA-Look applies a lookahead search-inspired algorithm that samples intra-packet token candidates without replacement (fixed depth), conditioned on inter-packet token candidates sampled with replacement (fixed width), thereby achieving linear complexity. Experiments on a remote AIGC task with the MS-COCO dataset (text captioned images) demonstrate that SemPA-Look achieves high ATS and LPIPS scores comparable to exhaustive search, while reducing computational complexity by up to 40$\times$. Compared to other linear-complexity algorithms such as the genetic algorithm (GA), SemPA-Look achieves 10$\times$ lower complexity, demonstrating its practicality for remote AIGC and other TC applications.
☆ Center of Gravity-Guided Focusing Influence Mechanism for Multi-Agent Reinforcement Learning
Cooperative multi-agent reinforcement learning (MARL) under sparse rewards presents a fundamental challenge due to limited exploration and insufficient coordinated attention among agents. In this work, we propose the Focusing Influence Mechanism (FIM), a novel framework that enhances cooperation by directing agent influence toward task-critical elements, referred to as Center of Gravity (CoG) state dimensions, inspired by Clausewitz's military theory. FIM consists of three core components: (1) identifying CoG state dimensions based on their stability under agent behavior, (2) designing counterfactual intrinsic rewards to promote meaningful influence on these dimensions, and (3) encouraging persistent and synchronized focus through eligibility-trace-based credit accumulation. These mechanisms enable agents to induce more targeted and effective state transitions, facilitating robust cooperation even in extremely sparse reward settings. Empirical evaluations across diverse MARL benchmarks demonstrate that the proposed FIM significantly improves cooperative performance compared to baselines.
comment: 9 technical page followed by references and appendix
☆ Maximal Update Parametrization and Zero-Shot Hyperparameter Transfer for Fourier Neural Operators ICML 2025
Fourier Neural Operators (FNOs) offer a principled approach for solving complex partial differential equations (PDEs). However, scaling them to handle more complex PDEs requires increasing the number of Fourier modes, which significantly expands the number of model parameters and makes hyperparameter tuning computationally impractical. To address this, we introduce $\mu$Transfer-FNO, a zero-shot hyperparameter transfer technique that enables optimal configurations, tuned on smaller FNOs, to be directly applied to billion-parameter FNOs without additional tuning. Building on the Maximal Update Parametrization ($\mu$P) framework, we mathematically derive a parametrization scheme that facilitates the transfer of optimal hyperparameters across models with different numbers of Fourier modes in FNOs, which is validated through extensive experiments on various PDEs. Our empirical study shows that Transfer-FNO reduces computational cost for tuning hyperparameters on large FNOs while maintaining or improving accuracy.
comment: ICML 2025
☆ NAADA: A Noise-Aware Attention Denoising Autoencoder for Dental Panoramic Radiographs
Convolutional denoising autoencoders (DAEs) are powerful tools for image restoration. However, they inherit a key limitation of convolutional neural networks (CNNs): they tend to recover low-frequency features, such as smooth regions, more effectively than high-frequency details. This leads to the loss of fine details, which is particularly problematic in dental radiographs where preserving subtle anatomical structures is crucial. While self-attention mechanisms can help mitigate this issue by emphasizing important features, conventional attention methods often prioritize features corresponding to cleaner regions and may overlook those obscured by noise. To address this limitation, we propose a noise-aware self-attention method, which allows the model to effectively focus on and recover key features even within noisy regions. Building on this approach, we introduce the noise-aware attention-enhanced denoising autoencoder (NAADA) network for enhancing noisy panoramic dental radiographs. Compared with the recent state of the art (and much heavier) methods like Uformer, MResDNN etc., our method improves the reconstruction of fine details, ensuring better image quality and diagnostic accuracy.
comment: 10 pages, 8 figures
☆ Deep Electromagnetic Structure Design Under Limited Evaluation Budgets ICML 2025
Electromagnetic structure (EMS) design plays a critical role in developing advanced antennas and materials, but remains challenging due to high-dimensional design spaces and expensive evaluations. While existing methods commonly employ high-quality predictors or generators to alleviate evaluations, they are often data-intensive and struggle with real-world scale and budget constraints. To address this, we propose a novel method called Progressive Quadtree-based Search (PQS). Rather than exhaustively exploring the high-dimensional space, PQS converts the conventional image-like layout into a quadtree-based hierarchical representation, enabling a progressive search from global patterns to local details. Furthermore, to lessen reliance on highly accurate predictors, we introduce a consistency-driven sample selection mechanism. This mechanism quantifies the reliability of predictions, balancing exploitation and exploration when selecting candidate designs. We evaluate PQS on two real-world engineering tasks, i.e., Dual-layer Frequency Selective Surface and High-gain Antenna. Experimental results show that our method can achieve satisfactory designs under limited computational budgets, outperforming baseline methods. In particular, compared to generative approaches, it cuts evaluation costs by 75-85%, effectively saving 20.27-38.80 days of product designing cycle.
comment: ICML 2025 (accepted)
☆ Explainable Artificial Intelligence Credit Risk Assessment using Machine Learning
This paper presents an intelligent and transparent AI-driven system for Credit Risk Assessment using three state-of-the-art ensemble machine learning models combined with Explainable AI (XAI) techniques. The system leverages XGBoost, LightGBM, and Random Forest algorithms for predictive analysis of loan default risks, addressing the challenges of model interpretability using SHAP and LIME. Preprocessing steps include custom imputation, one-hot encoding, and standardization. Class imbalance is managed using SMOTE, and hyperparameter tuning is performed with GridSearchCV. The model is evaluated on multiple performance metrics including ROC-AUC, precision, recall, and F1-score. LightGBM emerges as the most business-optimal model with the highest accuracy and best trade off between approval and default rates. Furthermore, the system generates applicant-specific XAI visual reports and business impact summaries to ensure transparent decision-making.
comment: 15 pages, 8 Figures, 3 Tables
☆ Path Learning with Trajectory Advantage Regression
In this paper, we propose trajectory advantage regression, a method of offline path learning and path attribution based on reinforcement learning. The proposed method can be used to solve path optimization problems while algorithmically only solving a regression problem.
☆ WebGuard++:Interpretable Malicious URL Detection via Bidirectional Fusion of HTML Subgraphs and Multi-Scale Convolutional BERT
URL+HTML feature fusion shows promise for robust malicious URL detection, since attacker artifacts persist in DOM structures. However, prior work suffers from four critical shortcomings: (1) incomplete URL modeling, failing to jointly capture lexical patterns and semantic context; (2) HTML graph sparsity, where threat-indicative nodes (e.g., obfuscated scripts) are isolated amid benign content, causing signal dilution during graph aggregation; (3) unidirectional analysis, ignoring URL-HTML feature bidirectional interaction; and (4) opaque decisions, lacking attribution to malicious DOM components. To address these challenges, we present WebGuard++, a detection framework with 4 novel components: 1) Cross-scale URL Encoder: Hierarchically learns local-to-global and coarse to fine URL features based on Transformer network with dynamic convolution. 2) Subgraph-aware HTML Encoder: Decomposes DOM graphs into interpretable substructures, amplifying sparse threat signals via Hierarchical feature fusion. 3) Bidirectional Coupling Module: Aligns URL and HTML embeddings through cross-modal contrastive learning, optimizing inter-modal consistency and intra-modal specificity. 4) Voting Module: Localizes malicious regions through consensus voting on malicious subgraph predictions. Experiments show WebGuard++ achieves significant improvements over state-of-the-art baselines, achieving 1.1x-7.9x higher TPR at fixed FPR of 0.001 and 0.0001 across both datasets.
☆ In-Context Occam's Razor: How Transformers Prefer Simpler Hypotheses on the Fly
In-context learning (ICL) enables transformers to adapt to new tasks through contextual examples without parameter updates. While existing research has typically studied ICL in fixed-complexity environments, practical language models encounter tasks spanning diverse complexity levels. This paper investigates how transformers navigate hierarchical task structures where higher-complexity categories can perfectly represent any pattern generated by simpler ones. We design well-controlled testbeds based on Markov chains and linear regression that reveal transformers not only identify the appropriate complexity level for each task but also accurately infer the corresponding parameters--even when the in-context examples are compatible with multiple complexity hypotheses. Notably, when presented with data generated by simpler processes, transformers consistently favor the least complex sufficient explanation. We theoretically explain this behavior through a Bayesian framework, demonstrating that transformers effectively implement an in-context Bayesian Occam's razor by balancing model fit against complexity penalties. We further ablate on the roles of model size, training mixture distribution, inference context length, and architecture. Finally, we validate this Occam's razor-like inductive bias on a pretrained GPT-4 model with Boolean-function tasks as case study, suggesting it may be inherent to transformers trained on diverse task distributions.
comment: 28 pages, 19 figures
☆ Discrepancy-Aware Graph Mask Auto-Encoder
Masked Graph Auto-Encoder, a powerful graph self-supervised training paradigm, has recently shown superior performance in graph representation learning. Existing works typically rely on node contextual information to recover the masked information. However, they fail to generalize well to heterophilic graphs where connected nodes may be not similar, because they focus only on capturing the neighborhood information and ignoring the discrepancy information between different nodes, resulting in indistinguishable node representations. In this paper, to address this issue, we propose a Discrepancy-Aware Graph Mask Auto-Encoder (DGMAE). It obtains more distinguishable node representations by reconstructing the discrepancy information of neighboring nodes during the masking process. We conduct extensive experiments on 17 widely-used benchmark datasets. The results show that our DGMAE can effectively preserve the discrepancies of nodes in low-dimensional space. Moreover, DGMAE significantly outperforms state-of-the-art graph self-supervised learning methods on three graph analytic including tasks node classification, node clustering, and graph classification, demonstrating its remarkable superiority. The code of DGMAE is available at https://github.com/zhengziyu77/DGMAE.
☆ Unlocking Insights Addressing Alcohol Inference Mismatch through Database-Narrative Alignment
Road traffic crashes are a significant global cause of fatalities, emphasizing the urgent need for accurate crash data to enhance prevention strategies and inform policy development. This study addresses the challenge of alcohol inference mismatch (AIM) by employing database narrative alignment to identify AIM in crash data. A framework was developed to improve data quality in crash management systems and reduce the percentage of AIM crashes. Utilizing the BERT model, the analysis of 371,062 crash records from Iowa (2016-2022) revealed 2,767 AIM incidents, resulting in an overall AIM percentage of 24.03%. Statistical tools, including the Probit Logit model, were used to explore the crash characteristics affecting AIM patterns. The findings indicate that alcohol-related fatal crashes and nighttime incidents have a lower percentage of the mismatch, while crashes involving unknown vehicle types and older drivers are more susceptible to mismatch. The geospatial cluster as part of this study can identify the regions which have an increased need for education and training. These insights highlight the necessity for targeted training programs and data management teams to improve the accuracy of crash reporting and support evidence-based policymaking.
☆ CAM-NET: An AI Model for Whole Atmosphere with Thermosphere and Ionosphere Extension
We present Compressible Atmospheric Model-Network (CAM-NET), an AI model designed to predict neutral atmospheric variables from the Earth's surface to the ionosphere with high accuracy and computational efficiency. Accurate modeling of the entire atmosphere is critical for understanding the upward propagation of gravity waves, which influence upper-atmospheric dynamics and coupling across atmospheric layers. CAM-NET leverages the Spherical Fourier Neural Operator (SFNO) to capture global-scale atmospheric dynamics while preserving the Earth's spherical structure. Trained on a decade of datasets from the Whole Atmosphere Community Climate Model with thermosphere and ionosphere eXtension (WACCM-X), CAM-NET demonstrates accuracy comparable to WACCM-X while achieving a speedup of over 1000x in inference time, can provide one year simulation within a few minutes once trained. The model effectively predicts key atmospheric parameters, including zonal and meridional winds, temperature, and time rate of pressure. Inspired by traditional modeling approaches that use external couplers to simulate tracer transport, CAM-NET introduces a modular architecture that explicitly separates tracer prediction from core dynamics. The core backbone of CAM-NET focuses on forecasting primary physical variables (e.g., temperature, wind velocity), while tracer variables are predicted through a lightweight, fine-tuned model. This design allows for efficient adaptation to specific tracer scenarios with minimal computational cost, avoiding the need to retrain the entire model. We have validated this approach on the $O^2$ tracer, demonstrating strong performance and generalization capabilities.
☆ Contrastive Cross-Modal Learning for Infusing Chest X-ray Knowledge into ECGs
Modern diagnostic workflows are increasingly multimodal, integrating diverse data sources such as medical images, structured records, and physiological time series. Among these, electrocardiograms (ECGs) and chest X-rays (CXRs) are two of the most widely used modalities for cardiac assessment. While CXRs provide rich diagnostic information, ECGs are more accessible and can support scalable early warning systems. In this work, we propose CroMoTEX, a novel contrastive learning-based framework that leverages chest X-rays during training to learn clinically informative ECG representations for multiple cardiac-related pathologies: cardiomegaly, pleural effusion, and edema. Our method aligns ECG and CXR representations using a novel supervised cross-modal contrastive objective with adaptive hard negative weighting, enabling robust and task-relevant feature learning. At test time, CroMoTEX relies solely on ECG input, allowing scalable deployment in real-world settings where CXRs may be unavailable. Evaluated on the large-scale MIMIC-IV-ECG and MIMIC-CXR datasets, CroMoTEX outperforms baselines across all three pathologies, achieving up to 78.31 AUROC on edema. Our code is available at github.com/vineetpmoorty/cromotex.
☆ Adversarial Attacks on Deep Learning-Based False Data Injection Detection in Differential Relays
The application of Deep Learning-based Schemes (DLSs) for detecting False Data Injection Attacks (FDIAs) in smart grids has attracted significant attention. This paper demonstrates that adversarial attacks, carefully crafted FDIAs, can evade existing DLSs used for FDIA detection in Line Current Differential Relays (LCDRs). We propose a novel adversarial attack framework, utilizing the Fast Gradient Sign Method, which exploits DLS vulnerabilities by introducing small perturbations to LCDR remote measurements, leading to misclassification of the FDIA as a legitimate fault while also triggering the LCDR to trip. We evaluate the robustness of multiple deep learning models, including multi-layer perceptrons, convolutional neural networks, long short-term memory networks, and residual networks, under adversarial conditions. Our experimental results demonstrate that while these models perform well, they exhibit high degrees of vulnerability to adversarial attacks. For some models, the adversarial attack success rate exceeds 99.7%. To address this threat, we introduce adversarial training as a proactive defense mechanism, significantly enhancing the models' ability to withstand adversarial FDIAs without compromising fault detection accuracy. Our results highlight the significant threat posed by adversarial attacks to DLS-based FDIA detection, underscore the necessity for robust cybersecurity measures in smart grids, and demonstrate the effectiveness of adversarial training in enhancing model robustness against adversarial FDIAs.
☆ The Effect of Depth on the Expressivity of Deep Linear State-Space Models
Deep state-space models (SSMs) have gained increasing popularity in sequence modelling. While there are numerous theoretical investigations of shallow SSMs, how the depth of the SSM affects its expressiveness remains a crucial problem. In this paper, we systematically investigate the role of depth and width in deep linear SSMs, aiming to characterize how they influence the expressive capacity of the architecture. First, we rigorously prove that in the absence of parameter constraints, increasing depth and increasing width are generally equivalent, provided that the parameter count remains within the same order of magnitude. However, under the assumption that the parameter norms are constrained, the effects of depth and width differ significantly. We show that a shallow linear SSM with large parameter norms can be represented by a deep linear SSM with smaller norms using a constructive method. In particular, this demonstrates that deep SSMs are more capable of representing targets with large norms than shallow SSMs under norm constraints. Finally, we derive upper bounds on the minimal depth required for a deep linear SSM to represent a given shallow linear SSM under constrained parameter norms. We also validate our theoretical results with numerical experiments
☆ Efficient Extreme Operating Condition Search for Online Relay Setting Calculation in Renewable Power Systems Based on Parallel Graph Neural Network
The Extreme Operating Conditions Search (EOCS) problem is one of the key problems in relay setting calculation, which is used to ensure that the setting values of protection relays can adapt to the changing operating conditions of power systems over a period of time after deployment. The high penetration of renewable energy and the wide application of inverter-based resources make the operating conditions of renewable power systems more volatile, which urges the adoption of the online relay setting calculation strategy. However, the computation speed of existing EOCS methods based on local enumeration, heuristic algorithms, and mathematical programming cannot meet the efficiency requirement of online relay setting calculation. To reduce the time overhead, this paper, for the first time, proposes an efficient deep learning-based EOCS method suitable for online relay setting calculation. First, the power system information is formulated as four layers, i.e., a component parameter layer, a topological connection layer, an electrical distance layer, and a graph distance layer, which are fed into a parallel graph neural network (PGNN) model for feature extraction. Then, the four feature layers corresponding to each node are spliced and stretched, and then fed into the decision network to predict the extreme operating condition of the system. Finally, the proposed PGNN method is validated on the modified IEEE 39-bus and 118-bus test systems, where some of the synchronous generators are replaced by renewable generation units. The nonlinear fault characteristics of renewables are fully considered when computing fault currents. The experiment results show that the proposed PGNN method achieves higher accuracy than the existing methods in solving the EOCS problem. Meanwhile, it also provides greater improvements in online computation time.
☆ A Batch-Insensitive Dynamic GNN Approach to Address Temporal Discontinuity in Graph Streams
In dynamic graphs, preserving temporal continuity is critical. However, Memory-based Dynamic Graph Neural Networks (MDGNNs) trained with large batches often disrupt event sequences, leading to temporal information loss. This discontinuity not only deteriorates temporal modeling but also hinders optimization by increasing the difficulty of parameter convergence. Our theoretical study quantifies this through a Lipschitz upper bound, showing that large batch sizes enlarge the parameter search space. In response, we propose BADGNN, a novel batch-agnostic framework consisting of two core components: (1) Temporal Lipschitz Regularization (TLR) to control parameter search space expansion, and (2) Adaptive Attention Adjustment (A3) to alleviate attention distortion induced by both regularization and batching. Empirical results on three benchmark datasets show that BADGNN maintains strong performance while enabling significantly larger batch sizes and faster training compared to TGN. Our code is available at Code: https://anonymous.4open.science/r/TGN_Lipichitz-C033/.
comment: 8pages, 5figures
☆ Robust OOD Graph Learning via Mean Constraints and Noise Reduction
Graph Out-of-Distribution (OOD) classification often suffers from sharp performance drops, particularly under category imbalance and structural noise. This work tackles two pressing challenges in this context: (1) the underperformance of minority classes due to skewed label distributions, and (2) their heightened sensitivity to structural noise in graph data. To address these problems, we propose two complementary solutions. First, Constrained Mean Optimization (CMO) improves minority class robustness by encouraging similarity-based instance aggregation under worst-case conditions. Second, the Neighbor-Aware Noise Reweighting (NNR) mechanism assigns dynamic weights to training samples based on local structural consistency, mitigating noise influence. We provide theoretical justification for our methods, and validate their effectiveness with extensive experiments on both synthetic and real-world datasets, showing significant improvements in Graph OOD generalization and classification accuracy. The code for our method is available at: https://anonymous.4open.science/r/CMO-NNR-2F30.
comment: 8 pages, 6 figures
☆ Emotion Detection on User Front-Facing App Interfaces for Enhanced Schedule Optimization: A Machine Learning Approach
Human-Computer Interaction (HCI) has evolved significantly to incorporate emotion recognition capabilities, creating unprecedented opportunities for adaptive and personalized user experiences. This paper explores the integration of emotion detection into calendar applications, enabling user interfaces to dynamically respond to users' emotional states and stress levels, thereby enhancing both productivity and engagement. We present and evaluate two complementary approaches to emotion detection: a biometric-based method utilizing heart rate (HR) data extracted from electrocardiogram (ECG) signals processed through Long Short-Term Memory (LSTM) and Gated Recurrent Unit (GRU) neural networks to predict the emotional dimensions of Valence, Arousal, and Dominance; and a behavioral method analyzing computer activity through multiple machine learning models to classify emotions based on fine-grained user interactions such as mouse movements, clicks, and keystroke patterns. Our comparative analysis, from real-world datasets, reveals that while both approaches demonstrate effectiveness, the computer activity-based method delivers superior consistency and accuracy, particularly for mouse-related interactions, which achieved approximately 90\% accuracy. Furthermore, GRU networks outperformed LSTM models in the biometric approach, with Valence prediction reaching 84.38\% accuracy.
☆ Rare dense solutions clusters in asymmetric binary perceptrons -- local entropy via fully lifted RDT
We study classical asymmetric binary perceptron (ABP) and associated \emph{local entropy} (LE) as potential source of its algorithmic hardness. Isolation of \emph{typical} ABP solutions in SAT phase seemingly suggests a universal algorithmic hardness. Paradoxically, efficient algorithms do exist even for constraint densities $\alpha$ fairly close but at a finite distance (\emph{computational gap}) from the capacity. In recent years, existence of rare large dense clusters and magical ability of fast algorithms to find them have been posited as the conceptual resolution of this paradox. Monotonicity or breakdown of the LEs associated with such \emph{atypical} clusters are predicated to play a key role in their thinning-out or even complete defragmentation. Invention of fully lifted random duality theory (fl RDT) [90,93,94] allows studying random structures \emph{typical} features. A large deviation upgrade, sfl LD RDT [96,97], moves things further and enables \emph{atypical} features characterizations as well. Utilizing the machinery of [96,97] we here develop a generic framework to study LE as an ABP's atypical feature. Already on the second level of lifting we discover that the LE results are closely matching those obtained through replica methods. For classical zero threshold ABP, we obtain that LE breaks down for $\alpha$ in $(0.77,0.78)$ interval which basically matches $\alpha\sim 0.75-0.77$ range that currently best ABP solvers can handle and effectively indicates that LE's behavior might indeed be among key reflections of the ABP's computational gaps presumable existence.
☆ A Qubit-Efficient Hybrid Quantum Encoding Mechanism for Quantum Machine Learning
Efficiently embedding high-dimensional datasets onto noisy and low-qubit quantum systems is a significant barrier to practical Quantum Machine Learning (QML). Approaches such as quantum autoencoders can be constrained by current hardware capabilities and may exhibit vulnerabilities to reconstruction attacks due to their invertibility. We propose Quantum Principal Geodesic Analysis (qPGA), a novel, non-invertible method for dimensionality reduction and qubit-efficient encoding. Executed classically, qPGA leverages Riemannian geometry to project data onto the unit Hilbert sphere, generating outputs inherently suitable for quantum amplitude encoding. This technique preserves the neighborhood structure of high-dimensional datasets within a compact latent space, significantly reducing qubit requirements for amplitude encoding. We derive theoretical bounds quantifying qubit requirements for effective encoding onto noisy systems. Empirical results on MNIST, Fashion-MNIST, and CIFAR-10 show that qPGA preserves local structure more effectively than both quantum and hybrid autoencoders. Additionally, we demonstrate that qPGA enhances resistance to reconstruction attacks due to its non-invertible nature. In downstream QML classification tasks, qPGA can achieve over 99% accuracy and F1-score on MNIST and Fashion-MNIST, outperforming quantum-dependent baselines. Initial tests on real hardware and noisy simulators confirm its potential for noise-resilient performance, offering a scalable solution for advancing QML applications.
☆ Stabilizing PDE--ML Coupled System
A long-standing obstacle in the use of machine-learnt surrogates with larger PDE systems is the onset of instabilities when solved numerically. Efforts towards ameliorating these have mostly concentrated on improving the accuracy of the surrogates or imbuing them with additional structure, and have garnered limited success. In this article, we study a prototype problem and draw insights that can help with more complex systems. In particular, we focus on a viscous Burgers'-ML system and, after identifying the cause of the instabilities, prescribe strategies to stabilize the coupled system. To improve the accuracy of the stabilized system, we next explore methods based on the Mori--Zwanzig formalism.
☆ Continuous-variable Quantum Diffusion Model for State Generation and Restoration
The generation and preservation of complex quantum states against environmental noise are paramount challenges in advancing continuous-variable (CV) quantum information processing. This paper introduces a novel framework based on continuous-variable quantum diffusion principles, synergizing them with CV quantum neural networks (CVQNNs) to address these dual challenges. For the task of state generation, our Continuous-Variable Quantum Diffusion Generative model (CVQD-G) employs a physically driven forward diffusion process using a thermal loss channel, which is then inverted by a learnable, parameter-efficient backward denoising process based on a CVQNN with time-embedding. This framework's capability is further extended for state recovery by the Continuous-Variable Quantum Diffusion Restoration model (CVQD-R), a specialized variant designed to restore quantum states, particularly coherent states with unknown parameters, from thermal degradation. Extensive numerical simulations validate these dual capabilities, demonstrating the high-fidelity generation of diverse Gaussian (coherent, squeezed) and non-Gaussian (Fock, cat) states, typically with fidelities exceeding 99%, and confirming the model's ability to robustly restore corrupted states. Furthermore, a comprehensive complexity analysis reveals favorable training and inference costs, highlighting the framework's efficiency, scalability, and its potential as a robust tool for quantum state engineering and noise mitigation in realistic CV quantum systems.
comment: 15+3 pages, 14 figures, 7 tables
☆ HARPT: A Corpus for Analyzing Consumers' Trust and Privacy Concerns in Mobile Health Apps
We present HARPT, a large-scale annotated corpus of mobile health app store reviews aimed at advancing research in user privacy and trust. The dataset comprises over 480,000 user reviews labeled into seven categories that capture critical aspects of trust in applications, trust in providers and privacy concerns. Creating HARPT required addressing multiple complexities, such as defining a nuanced label schema, isolating relevant content from large volumes of noisy data, and designing an annotation strategy that balanced scalability with accuracy. This strategy integrated rule-based filtering, iterative manual labeling with review, targeted data augmentation, and weak supervision using transformer-based classifiers to accelerate coverage. In parallel, a carefully curated subset of 7,000 reviews was manually annotated to support model development and evaluation. We benchmark a broad range of classification models, demonstrating that strong performance is achievable and providing a baseline for future research. HARPT is released as a public resource to support work in health informatics, cybersecurity, and natural language processing.
comment: Under review at The 34th ACM International Conference on Information and Knowledge Management (CIKM'25)
☆ What Matters in LLM-generated Data: Diversity and Its Effect on Model Fine-Tuning
With the remarkable generative capabilities of large language models (LLMs), using LLM-generated data to train downstream models has emerged as a promising approach to mitigate data scarcity in specific domains and reduce time-consuming annotations. However, recent studies have highlighted a critical issue: iterative training on self-generated data results in model collapse, where model performance degrades over time. Despite extensive research on the implications of LLM-generated data, these works often neglect the importance of data diversity, a key factor in data quality. In this work, we aim to understand the implications of the diversity of LLM-generated data on downstream model performance. Specifically, we explore how varying levels of diversity in LLM-generated data affect downstream model performance. Additionally, we investigate the performance of models trained on data that mixes different proportions of LLM-generated data, which we refer to as synthetic data. Our experimental results show that, with minimal distribution shift, moderately diverse LLM-generated data can enhance model performance in scenarios with insufficient labeled data, whereas highly diverse generated data has a negative impact. We hope our empirical findings will offer valuable guidance for future studies on LLMs as data generators.
comment: Ongoing work
☆ Network Structures as an Attack Surface: Topology-Based Privacy Leakage in Federated Learning
Federated learning systems increasingly rely on diverse network topologies to address scalability and organizational constraints. While existing privacy research focuses on gradient-based attacks, the privacy implications of network topology knowledge remain critically understudied. We conduct the first comprehensive analysis of topology-based privacy leakage across realistic adversarial knowledge scenarios, demonstrating that adversaries with varying degrees of structural knowledge can infer sensitive data distribution patterns even under strong differential privacy guarantees. Through systematic evaluation of 4,720 attack instances, we analyze six distinct adversarial knowledge scenarios: complete topology knowledge and five partial knowledge configurations reflecting real-world deployment constraints. We propose three complementary attack vectors: communication pattern analysis, parameter magnitude profiling, and structural position correlation, achieving success rates of 84.1%, 65.0%, and 47.2% under complete knowledge conditions. Critically, we find that 80% of realistic partial knowledge scenarios maintain attack effectiveness above security thresholds, with certain partial knowledge configurations achieving performance superior to the baseline complete knowledge scenario. To address these vulnerabilities, we propose and empirically validate structural noise injection as a complementary defense mechanism across 808 configurations, demonstrating up to 51.4% additional attack reduction when properly layered with existing privacy techniques. These results establish that network topology represents a fundamental privacy vulnerability in federated learning systems while providing practical pathways for mitigation through topology-aware defense mechanisms.
comment: 13 pages, 7 figures, 5 tables. Data from the experiments and source code can be found here: https://doi.org/10.5281/zenodo.15622123
☆ Personality Prediction from Life Stories using Language Models
Natural Language Processing (NLP) offers new avenues for personality assessment by leveraging rich, open-ended text, moving beyond traditional questionnaires. In this study, we address the challenge of modeling long narrative interview where each exceeds 2000 tokens so as to predict Five-Factor Model (FFM) personality traits. We propose a two-step approach: first, we extract contextual embeddings using sliding-window fine-tuning of pretrained language models; then, we apply Recurrent Neural Networks (RNNs) with attention mechanisms to integrate long-range dependencies and enhance interpretability. This hybrid method effectively bridges the strengths of pretrained transformers and sequence modeling to handle long-context data. Through ablation studies and comparisons with state-of-the-art long-context models such as LLaMA and Longformer, we demonstrate improvements in prediction accuracy, efficiency, and interpretability. Our results highlight the potential of combining language-based features with long-context modeling to advance personality assessment from life narratives.
comment: 13 pages, 5 figures
☆ Robust Behavior Cloning Via Global Lipschitz Regularization
Behavior Cloning (BC) is an effective imitation learning technique and has even been adopted in some safety-critical domains such as autonomous vehicles. BC trains a policy to mimic the behavior of an expert by using a dataset composed of only state-action pairs demonstrated by the expert, without any additional interaction with the environment. However, During deployment, the policy observations may contain measurement errors or adversarial disturbances. Since the observations may deviate from the true states, they can mislead the agent into making sub-optimal actions. In this work, we use a global Lipschitz regularization approach to enhance the robustness of the learned policy network. We then show that the resulting global Lipschitz property provides a robustness certificate to the policy with respect to different bounded norm perturbations. Then, we propose a way to construct a Lipschitz neural network that ensures the policy robustness. We empirically validate our theory across various environments in Gymnasium. Keywords: Robust Reinforcement Learning; Behavior Cloning; Lipschitz Neural Network
☆ Inference-Time Reward Hacking in Large Language Models ICML 2025
A common paradigm to improve the performance of large language models is optimizing for a reward model. Reward models assign a numerical score to LLM outputs indicating, for example, which response would likely be preferred by a user or is most aligned with safety goals. However, reward models are never perfect. They inevitably function as proxies for complex desiderata such as correctness, helpfulness, and safety. By overoptimizing for a misspecified reward, we can subvert intended alignment goals and reduce overall performance -- a phenomenon commonly referred to as reward hacking. In this work, we characterize reward hacking in inference-time alignment and demonstrate when and how we can mitigate it by hedging on the proxy reward. We study this phenomenon under Best-of-$n$ (BoN) and Soft-Best-of-$n$ (SBoN), and we introduce Best-of-Poisson (BoP) that provides an efficient, near-exact approximation of the optimal reward-KL divergence policy at inference time. We show that the characteristic pattern of hacking as observed in practice (where the true reward first increases before declining) is an inevitable property of a broad class of inference-time mechanisms, including BoN and BoP. To counter this effect, hedging offers a tactical choice to avoid placing undue confidence in high but potentially misleading proxy reward signals. We introduce HedgeTune, an efficient algorithm to find the optimal inference-time parameter and avoid reward hacking. We demonstrate through experiments that hedging mitigates reward hacking and achieves superior distortion-reward tradeoffs with minimal computational overhead.
comment: Accepted to ICML 2025 Workshop on Models of Human Feedback for AI Alignment
☆ Behavioral Anomaly Detection in Distributed Systems via Federated Contrastive Learning
This paper addresses the increasingly prominent problem of anomaly detection in distributed systems. It proposes a detection method based on federated contrastive learning. The goal is to overcome the limitations of traditional centralized approaches in terms of data privacy, node heterogeneity, and anomaly pattern recognition. The proposed method combines the distributed collaborative modeling capabilities of federated learning with the feature discrimination enhancement of contrastive learning. It builds embedding representations on local nodes and constructs positive and negative sample pairs to guide the model in learning a more discriminative feature space. Without exposing raw data, the method optimizes a global model through a federated aggregation strategy. Specifically, the method uses an encoder to represent local behavior data in high-dimensional space. This includes system logs, operational metrics, and system calls. The model is trained using both contrastive loss and classification loss to improve its ability to detect fine-grained anomaly patterns. The method is evaluated under multiple typical attack types. It is also tested in a simulated real-time data stream scenario to examine its responsiveness. Experimental results show that the proposed method outperforms existing approaches across multiple performance metrics. It demonstrates strong detection accuracy and adaptability, effectively addressing complex anomalies in distributed environments. Through careful design of key modules and optimization of the training mechanism, the proposed method achieves a balance between privacy preservation and detection performance. It offers a feasible technical path for intelligent security management in distributed systems.
☆ Universal kernels via harmonic analysis on Riemannian symmetric spaces
The universality properties of kernels characterize the class of functions that can be approximated in the associated reproducing kernel Hilbert space and are of fundamental importance in the theoretical underpinning of kernel methods in machine learning. In this work, we establish fundamental tools for investigating universality properties of kernels in Riemannian symmetric spaces, thereby extending the study of this important topic to kernels in non-Euclidean domains. Moreover, we use the developed tools to prove the universality of several recent examples from the literature on positive definite kernels defined on Riemannian symmetric spaces, thus providing theoretical justification for their use in applications involving manifold-valued data.
☆ High precision PINNs in unbounded domains: application to singularity formulation in PDEs
We investigate the high-precision training of Physics-Informed Neural Networks (PINNs) in unbounded domains, with a special focus on applications to singularity formulation in PDEs. We propose a modularized approach and study the choices of neural network ansatz, sampling strategy, and optimization algorithm. When combined with rigorous computer-assisted proofs and PDE analysis, the numerical solutions identified by PINNs, provided they are of high precision, can serve as a powerful tool for studying singularities in PDEs. For 1D Burgers equation, our framework can lead to a solution with very high precision, and for the 2D Boussinesq equation, which is directly related to the singularity formulation in 3D Euler and Navier-Stokes equations, we obtain a solution whose loss is $4$ digits smaller than that obtained in \cite{wang2023asymptotic} with fewer training steps. We also discuss potential directions for pushing towards machine precision for higher-dimensional problems.
☆ Private Model Personalization Revisited ICML 2025
We study model personalization under user-level differential privacy (DP) in the shared representation framework. In this problem, there are $n$ users whose data is statistically heterogeneous, and their optimal parameters share an unknown embedding $U^* \in\mathbb{R}^{d\times k}$ that maps the user parameters in $\mathbb{R}^d$ to low-dimensional representations in $\mathbb{R}^k$, where $k\ll d$. Our goal is to privately recover the shared embedding and the local low-dimensional representations with small excess risk in the federated setting. We propose a private, efficient federated learning algorithm to learn the shared embedding based on the FedRep algorithm in [CHM+21]. Unlike [CHM+21], our algorithm satisfies differential privacy, and our results hold for the case of noisy labels. In contrast to prior work on private model personalization [JRS+21], our utility guarantees hold under a larger class of users' distributions (sub-Gaussian instead of Gaussian distributions). Additionally, in natural parameter regimes, we improve the privacy error term in [JRS+21] by a factor of $\widetilde{O}(dk)$. Next, we consider the binary classification setting. We present an information-theoretic construction to privately learn the shared embedding and derive a margin-based accuracy guarantee that is independent of $d$. Our method utilizes the Johnson-Lindenstrauss transform to reduce the effective dimensions of the shared embedding and the users' data. This result shows that dimension-independent risk bounds are possible in this setting under a margin loss.
comment: ICML 2025
☆ Supervised Coupled Matrix-Tensor Factorization (SCMTF) for Computational Phenotyping of Patient Reported Outcomes in Ulcerative Colitis
Phenotyping is the process of distinguishing groups of patients to identify different types of disease progression. A recent trend employs low-rank matrix and tensor factorization methods for their capability of dealing with multi-modal, heterogeneous, and missing data. Symptom quantification is crucial for understanding patient experiences in inflammatory bowel disease, especially in conditions such as ulcerative colitis (UC). However, patient-reported symptoms are typically noisy, subjective, and significantly more sparse than other data types. For this reason, they are usually not included in phenotyping and other machine learning methods. This paper explores the application of computational phenotyping to leverage Patient-Reported Outcomes (PROs) using a novel supervised coupled matrix-tensor factorization (SCMTF) method, which integrates temporal PROs and temporal labs with static features to predict medication persistence in ulcerative colitis. This is the first tensor-based method that is both supervised and coupled, it is the first application to the UC domain, and the first application to PROs. We use a deep learning framework that makes the model flexible and easy to train. The proposed method allows us to handle the large amount of missing data in the PROs. The best model predicts changes in medication 8 and 20 months in the future with AUCs of 0.853 and 0.803 on the test set respectively. We derive interpretable phenotypes consisting of static features and temporal features (including their temporal patterns). We show that low-rank matrix and tensor based phenotyping can be successfully applied to the UC domain and to highly missing PRO data. We identify phenotypes useful to predict medication persistence - these phenotypes include several symptom variables, showing that PROs contain relevant infromation that is usually discarded.
☆ Learning Instruction-Following Policies through Open-Ended Instruction Relabeling with Large Language Models
Developing effective instruction-following policies in reinforcement learning remains challenging due to the reliance on extensive human-labeled instruction datasets and the difficulty of learning from sparse rewards. In this paper, we propose a novel approach that leverages the capabilities of large language models (LLMs) to automatically generate open-ended instructions retrospectively from previously collected agent trajectories. Our core idea is to employ LLMs to relabel unsuccessful trajectories by identifying meaningful subtasks the agent has implicitly accomplished, thereby enriching the agent's training data and substantially alleviating reliance on human annotations. Through this open-ended instruction relabeling, we efficiently learn a unified instruction-following policy capable of handling diverse tasks within a single policy. We empirically evaluate our proposed method in the challenging Craftax environment, demonstrating clear improvements in sample efficiency, instruction coverage, and overall policy performance compared to state-of-the-art baselines. Our results highlight the effectiveness of utilizing LLM-guided open-ended instruction relabeling to enhance instruction-following reinforcement learning.
comment: Under Review
☆ Universal pre-training by iterated random computation
We investigate the use of randomly generated data for the sake of pre-training a model. We justify this approach theoretically from the perspective of algorithmic complexity, building on recent research that shows that sequence models can be trained to approximate Solomonoff induction. We derive similar, but complementary theoretical results. We show empirically that synthetically generated data can be used to pre-train a model before the data is seen. We replicate earlier results that models trained this way show zero-shot in-context learning across a variety of datasets, and that this performance improves with scale. We extend earlier results to real-world data, and show that finetuning a model after pre-training offers faster convergence and better generalization.
☆ Machine-Learning-Assisted Photonic Device Development: A Multiscale Approach from Theory to Characterization
Photonic device development (PDD) has achieved remarkable success in designing and implementing new devices for controlling light across various wavelengths, scales, and applications, including telecommunications, imaging, sensing, and quantum information processing. PDD is an iterative, five-step process that consists of: i) deriving device behavior from design parameters, ii) simulating device performance, iii) finding the optimal candidate designs from simulations, iv) fabricating the optimal device, and v) measuring device performance. Classically, all these steps involve Bayesian optimization, material science, control theory, and direct physics-driven numerical methods. However, many of these techniques are computationally intractable, monetarily costly, or difficult to implement at scale. In addition, PDD suffers from large optimization landscapes, uncertainties in structural or optical characterization, and difficulties in implementing robust fabrication processes. However, the advent of machine learning over the past decade has provided novel, data-driven strategies for tackling these challenges, including surrogate estimators for speeding up computations, generative modeling for noisy measurement modeling and data augmentation, reinforcement learning for fabrication, and active learning for experimental physical discovery. In this review, we present a comprehensive perspective on these methods to enable machine-learning-assisted PDD (ML-PDD) for efficient design optimization with powerful generative models, fast simulation and characterization modeling under noisy measurements, and reinforcement learning for fabrication. This review will provide researchers from diverse backgrounds with valuable insights into this emerging topic, fostering interdisciplinary efforts to accelerate the development of complex photonic devices and systems.
☆ A Principled Path to Fitted Distributional Evaluation
In reinforcement learning, distributional off-policy evaluation (OPE) focuses on estimating the return distribution of a target policy using offline data collected under a different policy. This work focuses on extending the widely used fitted-Q evaluation -- developed for expectation-based reinforcement learning -- to the distributional OPE setting. We refer to this extension as fitted distributional evaluation (FDE). While only a few related approaches exist, there remains no unified framework for designing FDE methods. To fill this gap, we present a set of guiding principles for constructing theoretically grounded FDE methods. Building on these principles, we develop several new FDE methods with convergence analysis and provide theoretical justification for existing methods, even in non-tabular environments. Extensive experiments, including simulations on linear quadratic regulators and Atari games, demonstrate the superior performance of the FDE methods.
☆ GNN's Uncertainty Quantification using Self-Distillation
Graph Neural Networks (GNNs) have shown remarkable performance in the healthcare domain. However, what remained challenging is quantifying the predictive uncertainty of GNNs, which is an important aspect of trustworthiness in clinical settings. While Bayesian and ensemble methods can be used to quantify uncertainty, they are computationally expensive. Additionally, the disagreement metric used by ensemble methods to compute uncertainty cannot capture the diversity of models in an ensemble network. In this paper, we propose a novel method, based on knowledge distillation, to quantify GNNs' uncertainty more efficiently and with higher precision. We apply self-distillation, where the same network serves as both the teacher and student models, thereby avoiding the need to train several networks independently. To ensure the impact of self-distillation, we develop an uncertainty metric that captures the diverse nature of the network by assigning different weights to each GNN classifier. We experimentally evaluate the precision, performance, and ability of our approach in distinguishing out-of-distribution data on two graph datasets: MIMIC-IV and Enzymes. The evaluation results demonstrate that the proposed method can effectively capture the predictive uncertainty of the model while having performance similar to that of the MC Dropout and ensemble methods. The code is publicly available at https://github.com/tailabTMU/UQ_GNN.
comment: The paper has been accepted in the International Conference on AI in Healthcare (AIiH) 2025 and will appear in the conference proceedings
☆ PocketVina Enables Scalable and Highly Accurate Physically Valid Docking through Multi-Pocket Conditioning
Sampling physically valid ligand-binding poses remains a major challenge in molecular docking, particularly for unseen or structurally diverse targets. We introduce PocketVina, a fast and memory-efficient, search-based docking framework that combines pocket prediction with systematic multi-pocket exploration. We evaluate PocketVina across four established benchmarks--PDBbind2020 (timesplit and unseen), DockGen, Astex, and PoseBusters--and observe consistently strong performance in sampling physically valid docking poses. PocketVina achieves state-of-the-art performance when jointly considering ligand RMSD and physical validity (PB-valid), while remaining competitive with deep learning-based approaches in terms of RMSD alone, particularly on structurally diverse and previously unseen targets. PocketVina also maintains state-of-the-art physically valid docking accuracy across ligands with varying degrees of flexibility. We further introduce TargetDock-AI, a benchmarking dataset we curated, consisting of over 500000 protein-ligand pairs, and a partition of the dataset labeled with PubChem activity annotations. On this large-scale dataset, PocketVina successfully discriminates active from inactive targets, outperforming a deep learning baseline while requiring significantly less GPU memory and runtime. PocketVina offers a robust and scalable docking strategy that requires no task-specific training and runs efficiently on standard GPUs, making it well-suited for high-throughput virtual screening and structure-based drug discovery.
☆ LSH-DynED: A Dynamic Ensemble Framework with LSH-Based Undersampling for Evolving Multi-Class Imbalanced Classification
The classification of imbalanced data streams, which have unequal class distributions, is a key difficulty in machine learning, especially when dealing with multiple classes. While binary imbalanced data stream classification tasks have received considerable attention, only a few studies have focused on multi-class imbalanced data streams. Effectively managing the dynamic imbalance ratio is a key challenge in this domain. This study introduces a novel, robust, and resilient approach to address these challenges by integrating Locality Sensitive Hashing with Random Hyperplane Projections (LSH-RHP) into the Dynamic Ensemble Diversification (DynED) framework. To the best of our knowledge, we present the first application of LSH-RHP for undersampling in the context of imbalanced non-stationary data streams. The proposed method undersamples the majority classes by utilizing LSH-RHP, provides a balanced training set, and improves the ensemble's prediction performance. We conduct comprehensive experiments on 23 real-world and ten semi-synthetic datasets and compare LSH-DynED with 15 state-of-the-art methods. The results reveal that LSH-DynED outperforms other approaches in terms of both Kappa and mG-Mean effectiveness measures, demonstrating its capability in dealing with multi-class imbalanced non-stationary data streams. Notably, LSH-DynED performs well in large-scale, high-dimensional datasets with considerable class imbalances and demonstrates adaptation and robustness in real-world circumstances. To motivate our design, we review existing methods for imbalanced data streams, outline key challenges, and offer guidance for future work. For the reproducibility of our results, we have made our implementation available on GitHub.
☆ Cross-Layer Discrete Concept Discovery for Interpreting Language Models
Uncovering emergent concepts across transformer layers remains a significant challenge because the residual stream linearly mixes and duplicates information, obscuring how features evolve within large language models. Current research efforts primarily inspect neural representations at single layers, thereby overlooking this cross-layer superposition and the redundancy it introduces. These representations are typically either analyzed directly for activation patterns or passed to probing classifiers that map them to a limited set of predefined concepts. To address these limitations, we propose \gls{clvqvae}, a framework that uses vector quantization to map representations across layers and in the process collapse duplicated residual-stream features into compact, interpretable concept vectors. Our approach uniquely combines top-$k$ temperature-based sampling during quantization with EMA codebook updates, providing controlled exploration of the discrete latent space while maintaining code-book diversity. We further enhance the framework with scaled-spherical k-means++ for codebook initialization, which clusters by directional similarity rather than magnitude, better aligning with semantic structure in word embedding space.
☆ Learning Bilateral Team Formation in Cooperative Multi-Agent Reinforcement Learning
Team formation and the dynamics of team-based learning have drawn significant interest in the context of Multi-Agent Reinforcement Learning (MARL). However, existing studies primarily focus on unilateral groupings, predefined teams, or fixed-population settings, leaving the effects of algorithmic bilateral grouping choices in dynamic populations underexplored. To address this gap, we introduce a framework for learning two-sided team formation in dynamic multi-agent systems. Through this study, we gain insight into what algorithmic properties in bilateral team formation influence policy performance and generalization. We validate our approach using widely adopted multi-agent scenarios, demonstrating competitive performance and improved generalization in most scenarios.
comment: Accepted to the 2nd Coordination and Cooperation in Multi-Agent Reinforcement Learning (CoCoMARL) Workshop at RLC 2025
☆ Verifiable Unlearning on Edge
Machine learning providers commonly distribute global models to edge devices, which subsequently personalize these models using local data. However, issues such as copyright infringements, biases, or regulatory requirements may require the verifiable removal of certain data samples across all edge devices. Ensuring that edge devices correctly execute such unlearning operations is critical to maintaining integrity. In this work, we introduce a verification framework leveraging zero-knowledge proofs, specifically zk-SNARKs, to confirm data unlearning on personalized edge-device models without compromising privacy. We have developed algorithms explicitly designed to facilitate unlearning operations that are compatible with efficient zk-SNARK proof generation, ensuring minimal computational and memory overhead suitable for constrained edge environments. Furthermore, our approach carefully preserves personalized enhancements on edge devices, maintaining model performance post-unlearning. Our results affirm the practicality and effectiveness of this verification framework, demonstrating verifiable unlearning with minimal degradation in personalization-induced performance improvements. Our methodology ensures verifiable, privacy-preserving, and effective machine unlearning across edge devices.
comment: This paper has been accepted to the IEEE European Symposium on Security and Privacy (EuroS&P) 2025
☆ Automated Generation of Diverse Courses of Actions for Multi-Agent Operations using Binary Optimization and Graph Learning
Operations in disaster response, search \& rescue, and military missions that involve multiple agents demand automated processes to support the planning of the courses of action (COA). Moreover, traverse-affecting changes in the environment (rain, snow, blockades, etc.) may impact the expected performance of a COA, making it desirable to have a pool of COAs that are diverse in task distributions across agents. Further, variations in agent capabilities, which could be human crews and/or autonomous systems, present practical opportunities and computational challenges to the planning process. This paper presents a new theoretical formulation and computational framework to generate such diverse pools of COAs for operations with soft variations in agent-task compatibility. Key to the problem formulation is a graph abstraction of the task space and the pool of COAs itself to quantify its diversity. Formulating the COAs as a centralized multi-robot task allocation problem, a genetic algorithm is used for (order-ignoring) allocations of tasks to each agent that jointly maximize diversity within the COA pool and overall compatibility of the agent-task mappings. A graph neural network is trained using a policy gradient approach to then perform single agent task sequencing in each COA, which maximizes completion rates adaptive to task features. Our tests of the COA generation process in a simulated environment demonstrate significant performance gain over a random walk baseline, small optimality gap in task sequencing, and execution time of about 50 minutes to plan up to 20 COAs for 5 agent/100 task operations.
☆ Thumb on the Scale: Optimal Loss Weighting in Last Layer Retraining
While machine learning models become more capable in discriminative tasks at scale, their ability to overcome biases introduced by training data has come under increasing scrutiny. Previous results suggest that there are two extremes of parameterization with very different behaviors: the population (underparameterized) setting where loss weighting is optimal and the separable overparameterized setting where loss weighting is ineffective at ensuring equal performance across classes. This work explores the regime of last layer retraining (LLR) in which the unseen limited (retraining) data is frequently inseparable and the model proportionately sized, falling between the two aforementioned extremes. We show, in theory and practice, that loss weighting is still effective in this regime, but that these weights \emph{must} take into account the relative overparameterization of the model.
☆ Elucidated Rolling Diffusion Models for Probabilistic Weather Forecasting
Diffusion models are a powerful tool for probabilistic forecasting, yet most applications in high-dimensional chaotic systems predict future snapshots one-by-one. This common approach struggles to model complex temporal dependencies and fails to explicitly account for the progressive growth of uncertainty inherent to such systems. While rolling diffusion frameworks, which apply increasing noise to forecasts at longer lead times, have been proposed to address this, their integration with state-of-the-art, high-fidelity diffusion techniques remains a significant challenge. We tackle this problem by introducing Elucidated Rolling Diffusion Models (ERDM), the first framework to successfully unify a rolling forecast structure with the principled, performant design of Elucidated Diffusion Models (EDM). To do this, we adapt the core EDM components-its noise schedule, network preconditioning, and Heun sampler-to the rolling forecast setting. The success of this integration is driven by three key contributions: (i) a novel loss weighting scheme that focuses model capacity on the mid-range forecast horizons where determinism gives way to stochasticity; (ii) an efficient initialization strategy using a pre-trained EDM for the initial window; and (iii) a bespoke hybrid sequence architecture for robust spatiotemporal feature extraction under progressive denoising. On 2D Navier-Stokes simulations and ERA5 global weather forecasting at 1.5^\circ resolution, ERDM consistently outperforms key diffusion-based baselines, including conditional autoregressive EDM. ERDM offers a flexible and powerful general framework for tackling diffusion-based sequence generation problems where modeling escalating uncertainty is paramount. Code is available at: https://github.com/salvaRC/erdm
☆ DIM-SUM: Dynamic IMputation for Smart Utility Management
Time series imputation models have traditionally been developed using complete datasets with artificial masking patterns to simulate missing values. However, in real-world infrastructure monitoring, practitioners often encounter datasets where large amounts of data are missing and follow complex, heterogeneous patterns. We introduce DIM-SUM, a preprocessing framework for training robust imputation models that bridges the gap between artificially masked training data and real missing patterns. DIM-SUM combines pattern clustering and adaptive masking strategies with theoretical learning guarantees to handle diverse missing patterns actually observed in the data. Through extensive experiments on over 2 billion readings from California water districts, electricity datasets, and benchmarks, we demonstrate that DIM-SUM outperforms traditional methods by reaching similar accuracy with lower processing time and significantly less training data. When compared against a large pre-trained model, DIM-SUM averages 2x higher accuracy with significantly less inference time.
☆ New Insights on Unfolding and Fine-tuning Quantum Federated Learning
Client heterogeneity poses significant challenges to the performance of Quantum Federated Learning (QFL). To overcome these limitations, we propose a new approach leveraging deep unfolding, which enables clients to autonomously optimize hyperparameters, such as learning rates and regularization factors, based on their specific training behavior. This dynamic adaptation mitigates overfitting and ensures robust optimization in highly heterogeneous environments where standard aggregation methods often fail. Our framework achieves approximately 90% accuracy, significantly outperforming traditional methods, which typically yield around 55% accuracy, as demonstrated through real-time training on IBM quantum hardware and Qiskit Aer simulators. By developing self adaptive fine tuning, the proposed method proves particularly effective in critical applications such as gene expression analysis and cancer detection, enhancing diagnostic precision and predictive modeling within quantum systems. Our results are attributed to convergence-aware, learnable optimization steps intrinsic to the deep unfolded framework, which maintains the generalization. Hence, this study addresses the core limitations of conventional QFL, streamlining its applicability to any complex challenges such as healthcare and genomic research.
comment: 12 pages, 9 figures, 7 Tables, Submitted to IEEE/ACM journal 2025
☆ Neuromorphic Wireless Split Computing with Resonate-and-Fire Neurons
Neuromorphic computing offers an energy-efficient alternative to conventional deep learning accelerators for real-time time-series processing. However, many edge applications, such as wireless sensing and audio recognition, generate streaming signals with rich spectral features that are not effectively captured by conventional leaky integrate-and-fire (LIF) spiking neurons. This paper investigates a wireless split computing architecture that employs resonate-and-fire (RF) neurons with oscillatory dynamics to process time-domain signals directly, eliminating the need for costly spectral pre-processing. By resonating at tunable frequencies, RF neurons extract time-localized spectral features while maintaining low spiking activity. This temporal sparsity translates into significant savings in both computation and transmission energy. Assuming an OFDM-based analog wireless interface for spike transmission, we present a complete system design and evaluate its performance on audio classification and modulation classification tasks. Experimental results show that the proposed RF-SNN architecture achieves comparable accuracy to conventional LIF-SNNs and ANNs, while substantially reducing spike rates and total energy consumption during inference and communication.
☆ Can One Safety Loop Guard Them All? Agentic Guard Rails for Federated Computing ICML 2025
We propose Guardian-FC, a novel two-layer framework for privacy preserving federated computing that unifies safety enforcement across diverse privacy preserving mechanisms, including cryptographic back-ends like fully homomorphic encryption (FHE) and multiparty computation (MPC), as well as statistical techniques such as differential privacy (DP). Guardian-FC decouples guard-rails from privacy mechanisms by executing plug-ins (modular computation units), written in a backend-neutral, domain-specific language (DSL) designed specifically for federated computing workflows and interchangeable Execution Providers (EPs), which implement DSL operations for various privacy back-ends. An Agentic-AI control plane enforces a finite-state safety loop through signed telemetry and commands, ensuring consistent risk management and auditability. The manifest-centric design supports fail-fast job admission and seamless extensibility to new privacy back-ends. We present qualitative scenarios illustrating backend-agnostic safety and a formal model foundation for verification. Finally, we outline a research agenda inviting the community to advance adaptive guard-rail tuning, multi-backend composition, DSL specification development, implementation, and compiler extensibility alongside human-override usability.
comment: Accepted at ICML 2025 Workshop on Collaborative and Federated Agentic Workflows (CFAgentic@ICML'25)
☆ A Spatio-Temporal Point Process for Fine-Grained Modeling of Reading Behavior ACL 2025
Reading is a process that unfolds across space and time, alternating between fixations where a reader focuses on a specific point in space, and saccades where a reader rapidly shifts their focus to a new point. An ansatz of psycholinguistics is that modeling a reader's fixations and saccades yields insight into their online sentence processing. However, standard approaches to such modeling rely on aggregated eye-tracking measurements and models that impose strong assumptions, ignoring much of the spatio-temporal dynamics that occur during reading. In this paper, we propose a more general probabilistic model of reading behavior, based on a marked spatio-temporal point process, that captures not only how long fixations last, but also where they land in space and when they take place in time. The saccades are modeled using a Hawkes process, which captures how each fixation excites the probability of a new fixation occurring near it in time and space. The duration time of fixation events is modeled as a function of fixation-specific predictors convolved across time, thus capturing spillover effects. Empirically, our Hawkes process model exhibits a better fit to human saccades than baselines. With respect to fixation durations, we observe that incorporating contextual surprisal as a predictor results in only a marginal improvement in the model's predictive accuracy. This finding suggests that surprisal theory struggles to explain fine-grained eye movements.
comment: ACL 2025
☆ TRACED: Transition-aware Regret Approximation with Co-learnability for Environment Design
Generalizing deep reinforcement learning agents to unseen environments remains a significant challenge. One promising solution is Unsupervised Environment Design (UED), a co-evolutionary framework in which a teacher adaptively generates tasks with high learning potential, while a student learns a robust policy from this evolving curriculum. Existing UED methods typically measure learning potential via regret, the gap between optimal and current performance, approximated solely by value-function loss. Building on these approaches, we introduce the transition prediction error as an additional term in our regret approximation. To capture how training on one task affects performance on others, we further propose a lightweight metric called co-learnability. By combining these two measures, we present Transition-aware Regret Approximation with Co-learnability for Environment Design (TRACED). Empirical evaluations show that TRACED yields curricula that improve zero-shot generalization across multiple benchmarks while requiring up to 2x fewer environment interactions than strong baselines. Ablation studies confirm that the transition prediction error drives rapid complexity ramp-up and that co-learnability delivers additional gains when paired with the transition prediction error. These results demonstrate how refined regret approximation and explicit modeling of task relationships can be leveraged for sample-efficient curriculum design in UED.
☆ CoVE: Compressed Vocabulary Expansion Makes Better LLM-based Recommender Systems ACL 2025
Recommender systems play a pivotal role in providing relevant content to users. With the rapid development of large language models (LLMs), researchers have begun utilizing LLMs to build more powerful recommender systems. However, existing approaches that focus on aligning LLMs with recommendation tasks do not fully leverage their sequential information processing capabilities, leading to suboptimal performance. In this paper, we propose a novel system called compressed vocabulary expansion (CoVE). In CoVE, each item is assigned a unique ID within the expanded vocabulary. Our framework effectively capitalizes on sequence understanding abilities of LLMs, significantly enhancing their performance on recommendation tasks. Additionally, we compress the embedding layer, making CoVE practical for large-scale industrial applications. The effectiveness and performance of CoVE are demonstrated through comprehensive experiments on multiple recommendation datasets and comparisons with prior works. Our code can be found at https://github.com/HaochenZhang717/CoVE-official-Repo.
comment: Accepted by ACL 2025 Findings
☆ HERCULES: Hierarchical Embedding-based Recursive Clustering Using LLMs for Efficient Summarization
The explosive growth of complex datasets across various modalities necessitates advanced analytical tools that not only group data effectively but also provide human-understandable insights into the discovered structures. We introduce HERCULES (Hierarchical Embedding-based Recursive Clustering Using LLMs for Efficient Summarization), a novel algorithm and Python package designed for hierarchical k-means clustering of diverse data types, including text, images, and numeric data (processed one modality per run). HERCULES constructs a cluster hierarchy by recursively applying k-means clustering, starting from individual data points at level 0. A key innovation is its deep integration of Large Language Models (LLMs) to generate semantically rich titles and descriptions for clusters at each level of the hierarchy, significantly enhancing interpretability. The algorithm supports two main representation modes: `direct' mode, which clusters based on original data embeddings or scaled numeric features, and `description' mode, which clusters based on embeddings derived from LLM-generated summaries. Users can provide a `topic\_seed' to guide LLM-generated summaries towards specific themes. An interactive visualization tool facilitates thorough analysis and understanding of the clustering results. We demonstrate HERCULES's capabilities and discuss its potential for extracting meaningful, hierarchical knowledge from complex datasets.
☆ MAIZX: A Carbon-Aware Framework for Optimizing Cloud Computing Emissions
Cloud computing drives innovation but also poses significant environmental challenges due to its high-energy consumption and carbon emissions. Data centers account for 2-4% of global energy usage, and the ICT sector's share of electricity consumption is projected to reach 40% by 2040. As the goal of achieving net-zero emissions by 2050 becomes increasingly urgent, there is a growing need for more efficient and transparent solutions, particularly for private cloud infrastructures, which are utilized by 87% of organizations, despite the dominance of public-cloud systems. This study evaluates the MAIZX framework, designed to optimize cloud operations and reduce carbon footprint by dynamically ranking resources, including data centers, edge computing nodes, and multi-cloud environments, based on real-time and forecasted carbon intensity, Power Usage Effectiveness (PUE), and energy consumption. Leveraging a flexible ranking algorithm, MAIZX achieved an 85.68% reduction in CO2 emissions compared to baseline hypervisor operations. Tested across geographically distributed data centers, the framework demonstrates scalability and effectiveness, directly interfacing with hypervisors to optimize workloads in private, hybrid, and multi-cloud environments. MAIZX integrates real-time data on carbon intensity, power consumption, and carbon footprint, as well as forecasted values, into cloud management, providing a robust tool for enhancing climate performance potential while maintaining operational efficiency.
comment: 2 pages, 2 figures. LOCO 2024, December 3, 2024, Glasgow/Online
☆ MILAAP: Mobile Link Allocation via Attention-based Prediction
Channel hopping (CS) communication systems must adapt to interference changes in the wireless network and to node mobility for maintaining throughput efficiency. Optimal scheduling requires up-to-date network state information (i.e., of channel occupancy) to select non-overlapping channels for links in interference regions. However, state sharing among nodes introduces significant communication overhead, especially as network size or node mobility scale, thereby decreasing throughput efficiency of already capacity-limited networks. In this paper, we eschew state sharing while adapting the CS schedule based on a learning-based channel occupancy prediction. We propose the MiLAAP attention-based prediction framework for machine learning models of spectral, spatial, and temporal dependencies among network nodes. MiLAAP uses a self-attention mechanism that lets each node capture the temporospectral CS pattern in its interference region and accordingly predict the channel occupancy state within that region. Notably, the prediction relies only on locally and passively observed channel activities, and thus introduces no communication overhead. To deal with node mobility, MiLAAP also uses a multi-head self-attention mechanism that lets each node locally capture the spatiotemporal dependencies on other network nodes that can interfere with it and accordingly predict the motion trajectory of those nodes. Detecting nodes that enter or move outside the interference region is used to further improve the prediction accuracy of channel occupancy. We show that for dynamic networks that use local CS sequences to support relatively long-lived flow traffics, the channel state prediction accuracy of MiLAAP is remarkably ~100% across different node mobility patterns and it achieves zero-shot generalizability across different periods of CS sequences.
☆ Data-Driven Dynamic Factor Modeling via Manifold Learning
We propose a data-driven dynamic factor framework where a response variable depends on a high-dimensional set of covariates, without imposing any parametric model on the joint dynamics. Leveraging Anisotropic Diffusion Maps, a nonlinear manifold learning technique introduced by Singer and Coifman, our framework uncovers the joint dynamics of the covariates and responses in a purely data-driven way. We approximate the embedding dynamics using linear diffusions, and exploit Kalman filtering to predict the evolution of the covariates and response variables directly from the diffusion map embedding space. We generalize Singer's convergence rate analysis of the graph Laplacian from the case of independent uniform samples on a compact manifold to the case of time series arising from Langevin diffusions in Euclidean space. Furthermore, we provide rigorous justification for our procedure by showing the robustness of approximations of the diffusion map coordinates by linear diffusions, and the convergence of ergodic averages under standard spectral assumptions on the underlying dynamics. We apply our method to the stress testing of equity portfolios using a combination of financial and macroeconomic factors from the Federal Reserve's supervisory scenarios. We demonstrate that our data-driven stress testing method outperforms standard scenario analysis and Principal Component Analysis benchmarks through historical backtests spanning three major financial crises, achieving reductions in mean absolute error of up to 55% and 39% for scenario-based portfolio return prediction, respectively.
☆ The Most Important Features in Generalized Additive Models Might Be Groups of Features
While analyzing the importance of features has become ubiquitous in interpretable machine learning, the joint signal from a group of related features is sometimes overlooked or inadvertently excluded. Neglecting the joint signal could bypass a critical insight: in many instances, the most significant predictors are not isolated features, but rather the combined effect of groups of features. This can be especially problematic for datasets that contain natural groupings of features, including multimodal datasets. This paper introduces a novel approach to determine the importance of a group of features for Generalized Additive Models (GAMs) that is efficient, requires no model retraining, allows defining groups posthoc, permits overlapping groups, and remains meaningful in high-dimensional settings. Moreover, this definition offers a parallel with explained variation in statistics. We showcase properties of our method on three synthetic experiments that illustrate the behavior of group importance across various data regimes. We then demonstrate the importance of groups of features in identifying depressive symptoms from a multimodal neuroscience dataset, and study the importance of social determinants of health after total hip arthroplasty. These two case studies reveal that analyzing group importance offers a more accurate, holistic view of the medical issues compared to a single-feature analysis.
☆ Any-Order GPT as Masked Diffusion Model: Decoupling Formulation and Architecture
Large language models (LLMs) predominantly use autoregressive (AR) approaches, but masked diffusion models (MDMs) are emerging as viable alternatives. A key challenge in comparing AR and MDM paradigms is their typical architectural difference: AR models are often decoder-only, while MDMs have largely been encoder-only. This practice of changing both the modeling paradigm and architecture simultaneously makes direct comparisons unfair, as it's hard to distinguish whether observed differences stem from the paradigm itself or the architectural shift. This research evaluates MDMs within a decoder-only framework to: (1) equitably compare MDM (as Any-Order AR, or AO-AR) and standard AR paradigms. Our investigation suggests that the standard AO-AR objective, which averages over all token permutations, may benefit from refinement, as many permutations appear less informative compared to the language's inherent left-to-right structure. (2) Investigate architectural influences (decoder-only vs. encoder-only) within MDMs. We demonstrate that while encoder-only MDMs model a simpler conditional probability space, decoder-only MDMs can achieve dramatic generation speedups ($\sim25\times$) and comparable perplexity with temperature annealing despite modeling a vastly larger space, highlighting key trade-offs. This work thus decouples core paradigm differences from architectural influences, offering insights for future model design. Code is available at https://github.com/scxue/AO-GPT-MDM.
☆ A Comparative Analysis of Reinforcement Learning and Conventional Deep Learning Approaches for Bearing Fault Diagnosis
Bearing faults in rotating machinery can lead to significant operational disruptions and maintenance costs. Modern methods for bearing fault diagnosis rely heavily on vibration analysis and machine learning techniques, which often require extensive labeled data and may not adapt well to dynamic environments. This study explores the feasibility of reinforcement learning (RL), specifically Deep Q-Networks (DQNs), for bearing fault classification tasks in machine condition monitoring to enhance the accuracy and adaptability of bearing fault diagnosis. The results demonstrate that while RL models developed in this study can match the performance of traditional supervised learning models under controlled conditions, they excel in adaptability when equipped with optimized reward structures. However, their computational demands highlight areas for further improvement. These findings demonstrate RL's potential to complement traditional methods, paving the way for adaptive diagnostic frameworks.
comment: 5 pages, 5 figures. To appear in the Proceedings of the Canadian Society for Mechanical Engineering (CSME) Congress 2025
☆ Prover Agent: An Agent-based Framework for Formal Mathematical Proofs
We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and feedback from Lean while also generating auxiliary lemmas to assist in discovering the overall proof strategy. It achieves an 86.1% success rate on the MiniF2F benchmark, establishing a new state-of-the-art among methods using small language models (SLMs) with a much lower sample budget than previous approaches. We also present case studies illustrating how these generated lemmas contribute to solving challenging problems.
comment: 22 pages, 2 figures
☆ Extreme Learning Machines for Exoplanet Simulations: A Faster, Lightweight Alternative to Deep Learning
Increasing resolution and coverage of astrophysical and climate data necessitates increasingly sophisticated models, often pushing the limits of computational feasibility. While emulation methods can reduce calculation costs, the neural architectures typically used--optimised via gradient descent--are themselves computationally expensive to train, particularly in terms of data generation requirements. This paper investigates the utility of the Extreme Learning Machine (ELM) as a lightweight, non-gradient-based machine learning algorithm for accelerating complex physical models. We evaluate ELM surrogate models in two test cases with different data structures: (i) sequentially-structured data, and (ii) image-structured data. For test case (i), where the number of samples $N$ >> the dimensionality of input data $d$, ELMs achieve remarkable efficiency, offering a 100,000$\times$ faster training time and a 40$\times$ faster prediction speed compared to a Bi-Directional Recurrent Neural Network (BIRNN), whilst improving upon BIRNN test performance. For test case (ii), characterised by $d >> N$ and image-based inputs, a single ELM was insufficient, but an ensemble of 50 individual ELM predictors achieves comparable accuracy to a benchmark Convolutional Neural Network (CNN), with a 16.4$\times$ reduction in training time, though costing a 6.9$\times$ increase in prediction time. We find different sample efficiency characteristics between the test cases: in test case (i) individual ELMs demonstrate superior sample efficiency, requiring only 0.28% of the training dataset compared to the benchmark BIRNN, while in test case (ii) the ensemble approach requires 78% of the data used by the CNN to achieve comparable results--representing a trade-off between sample efficiency and model complexity.
comment: 20 pages, 16 figures
☆ A Framework for Uncertainty Quantification Based on Nearest Neighbors Across Layers
Neural Networks have high accuracy in solving problems where it is difficult to detect patterns or create a logical model. However, these algorithms sometimes return wrong solutions, which become problematic in high-risk domains like medical diagnosis or autonomous driving. One strategy to detect and mitigate these errors is the measurement of the uncertainty over neural network decisions. In this paper, we present a novel post-hoc framework for measuring the uncertainty of a decision based on retrieved training cases that have a similar activation vector to the query for each layer. Based on these retrieved cases, we propose two new metrics: Decision Change and Layer Uncertainty, which capture changes in nearest-neighbor class distributions across layers. We evaluated our approach in a classification model for two datasets: CIFAR-10 and MNIST. The results show that these metrics enhance uncertainty estimation, especially in challenging classification tasks, outperforming softmax-based confidence.
comment: This paper has been accepted for presentation at ICANN 2025 (International Conference on Artificial Neural Networks) and will appear in the conference proceedings published by Springer Nature in the Lecture Notes in Computer Science (LNCS) series. The final authenticated version will be available on the publisher website
☆ Explaining deep neural network models for electricity price forecasting with XAI
Electricity markets are highly complex, involving lots of interactions and complex dependencies that make it hard to understand the inner workings of the market and what is driving prices. Econometric methods have been developed for this, white-box models, however, they are not as powerful as deep neural network models (DNN). In this paper, we use a DNN to forecast the price and then use XAI methods to understand the factors driving the price dynamics in the market. The objective is to increase our understanding of how different electricity markets work. To do that, we apply explainable methods such as SHAP and Gradient, combined with visual techniques like heatmaps (saliency maps) to analyse the behaviour and contributions of various features across five electricity markets. We introduce the novel concepts of SSHAP values and SSHAP lines to enhance the complex representation of high-dimensional tabular models.
☆ Distillation-Enabled Knowledge Alignment for Generative Semantic Communications in AIGC Provisioning Tasks
Due to the surging amount of AI-generated content (AIGC), its provisioning to edges and mobile users from the cloud incurs substantial traffic on networks. Generative semantic communication (GSC) offers a promising solution by transmitting highly compact information, i.e., prompt text and latent representations, instead of high-dimensional AIGC data. However, GSC relies on the alignment between the knowledge in the cloud generative AI (GAI) and that possessed by the edges and users, and between the knowledge for wireless transmission and that of actual channels, which remains challenging. In this paper, we propose DeKA-g, a distillation-enabled knowledge alignment algorithm for GSC systems. The core idea is to distill the generation knowledge from the cloud-GAI into low-rank matrices, which can be incorporated by the edge and used to adapt the transmission knowledge to diverse wireless channel conditions. DeKA-g comprises two novel methods: metaword-aided knowledge distillation (MAKD) and variable-rate grouped SNR adaptation (VGSA). For MAKD, an optimized metaword is employed to enhance the efficiency of knowledge distillation, while VGSA enables efficient adaptation to diverse compression rates and SNR ranges. From simulation results, DeKA-g improves the alignment between the edge-generated images and the cloud-generated ones by 44%. Moreover, it adapts to compression rates with 116% higher efficiency than the baseline and enhances the performance in low-SNR conditions by 28%.
☆ RepuNet: A Reputation System for Mitigating Malicious Clients in DFL
Decentralized Federated Learning (DFL) enables nodes to collaboratively train models without a central server, introducing new vulnerabilities since each node independently selects peers for model aggregation. Malicious nodes may exploit this autonomy by sending corrupted models (model poisoning), delaying model submissions (delay attack), or flooding the network with excessive messages, negatively affecting system performance. Existing solutions often depend on rigid configurations or additional infrastructures such as blockchain, leading to computational overhead, scalability issues, or limited adaptability. To overcome these limitations, this paper proposes RepuNet, a decentralized reputation system that categorizes threats in DFL and dynamically evaluates node behavior using metrics like model similarity, parameter changes, message latency, and communication volume. Nodes' influence in model aggregation is adjusted based on their reputation scores. RepuNet was integrated into the Nebula DFL platform and experimentally evaluated with MNIST and CIFAR-10 datasets under non-IID distributions, using federations of up to 25 nodes in both fully connected and random topologies. Different attack intensities, frequencies, and activation intervals were tested. Results demonstrated that RepuNet effectively detects and mitigates malicious behavior, achieving F1 scores above 95% for MNIST scenarios and approximately 76% for CIFAR-10 cases. These outcomes highlight RepuNet's adaptability, robustness, and practical potential for mitigating threats in decentralized federated learning environments.
♻ ☆ Inferring Higher-Order Couplings with Neural Networks
Maximum entropy methods, rooted in the inverse Ising/Potts problem from statistical physics, are widely used to model pairwise interactions in complex systems across disciplines such as bioinformatics and neuroscience. While successful, these approaches often fail to capture higher-order interactions that are critical for understanding collective behavior. In contrast, modern machine learning methods can model such interactions, but their interpretability often comes at a prohibitive computational cost. Restricted Boltzmann Machines (RBMs) provide a computationally efficient alternative by encoding statistical correlations through hidden units in a bipartite architecture. In this work, we introduce a method that maps RBMs onto generalized Potts models, enabling the systematic extraction of interactions up to arbitrary order. Leveraging large-$N$ approximations -- made tractable by the RBM's structure -- we extract effective many-body couplings with minimal computational effort. We further propose a robust framework for recovering higher-order interactions in more complex generative models, and introduce a simple gauge-fixing scheme for the effective Potts representation. Validation on synthetic data demonstrates accurate recovery of two- and three-body interactions. Applied to protein sequence data, our method reconstructs contact maps with high fidelity and outperforms state-of-the-art inverse Potts models. These results establish RBMs as a powerful and efficient tool for modeling higher-order structure in high-dimensional categorical data.
comment: 24 Pages and 9 Figures
♻ ☆ Fourier Multi-Component and Multi-Layer Neural Networks: Unlocking High-Frequency Potential
The architecture of a neural network and the selection of its activation function are both fundamental to its performance. Equally vital is ensuring these two elements are well-matched, as their alignment is key to achieving effective representation and learning. In this paper, we introduce the Fourier Multi-Component and Multi-Layer Neural Network (FMMNN), a novel model that creates a strong synergy between them. We demonstrate that FMMNNs are highly effective and flexible in modeling high-frequency components. Our theoretical results demonstrate that FMMNNs have exponential expressive power for function approximation. We also analyze the optimization landscape of FMMNNs and find it to be much more favorable than that of standard fully connected neural networks, especially when dealing with high-frequency features. In addition, we propose a scaled random initialization method for the first layer's weights in FMMNNs, which significantly speeds up training and enhances overall performance. Extensive numerical experiments support our theoretical insights, showing that FMMNNs consistently outperform traditional approaches in accuracy and efficiency across various tasks.
comment: Our code and implementation details are available at https://github.com/ShijunZhangMath/FMMNN
♻ ☆ Model-Based Exploration in Monitored Markov Decision Processes
A tenet of reinforcement learning is that the agent always observes rewards. However, this is not true in many realistic settings, e.g., a human observer may not always be available to provide rewards, sensors may be limited or malfunctioning, or rewards may be inaccessible during deployment. Monitored Markov decision processes (Mon-MDPs) have recently been proposed to model such settings. However, existing Mon-MDP algorithms have several limitations: they do not fully exploit the problem structure, cannot leverage a known monitor, lack worst-case guarantees for 'unsolvable' Mon-MDPs without specific initialization, and offer only asymptotic convergence proofs. This paper makes three contributions. First, we introduce a model-based algorithm for Mon-MDPs that addresses these shortcomings. The algorithm employs two instances of model-based interval estimation: one to ensure that observable rewards are reliably captured, and another to learn the minimax-optimal policy. Second, we empirically demonstrate the advantages. We show faster convergence than prior algorithms in over four dozen benchmarks, and even more dramatic improvement when the monitoring process is known. Third, we present the first finite-sample bound on performance. We show convergence to a minimax-optimal policy even when some rewards are never observable.
♻ ☆ First-Passage Approach to Optimizing Perturbations for Improved Training of Machine Learning Models
Machine learning models have become indispensable tools in applications across the physical sciences. Their training is often time-consuming, vastly exceeding the inference timescales. Several protocols have been developed to perturb the learning process and improve the training, such as shrink and perturb, warm restarts, and stochastic resetting. For classifiers, these perturbations have been shown to result in enhanced speedups or improved generalization. However, the design of such perturbations is usually done ad hoc by intuition and trial and error. To rationally optimize training protocols, we frame them as first-passage processes and consider their response to perturbations. We show that if the unperturbed learning process reaches a quasi-steady state, the response at a single perturbation frequency can predict the behavior at a wide range of frequencies. We employ this approach to a CIFAR-10 classifier using the ResNet-18 model and identify a useful perturbation and frequency among several possibilities. We demonstrate the transferability of the approach to other datasets, architectures, optimizers and even tasks (regression instead of classification). Our work allows optimization of perturbations for improving the training of machine learning models using a first-passage approach.
♻ ☆ Multiscale Training of Convolutional Neural Networks
Training convolutional neural networks (CNNs) on high-resolution images is often bottlenecked by the cost of evaluating gradients of the loss on the finest spatial mesh. To address this, we propose Multiscale Gradient Estimation (MGE), a Multilevel Monte Carlo-inspired estimator that expresses the expected gradient on the finest mesh as a telescopic sum of gradients computed on progressively coarser meshes. By assigning larger batches to the cheaper coarse levels, MGE achieves the same variance as single-scale stochastic gradient estimation while reducing the number of fine mesh convolutions by a factor of 4 with each downsampling. We further embed MGE within a Full-Multiscale training algorithm that solves the learning problem on coarse meshes first and "hot-starts" the next finer level, cutting the required fine mesh iterations by an additional order of magnitude. Extensive experiments on image denoising, deblurring, inpainting and super-resolution tasks using UNet, ResNet and ESPCN backbones confirm the practical benefits: Full-Multiscale reduces the computation costs by 4-16$\times$ with no significant loss in performance. Together, MGE and Full-Multiscale offer a principled, architecture-agnostic route to accelerate CNN training on high-resolution data without sacrificing accuracy, and they can be combined with other variance-reduction or learning-rate schedules to further enhance scalability.
comment: 23 pages, 10 figures, 8 tables
♻ ☆ FDA-Opt: Communication-Efficient Federated Fine-Tuning of Language Models
Federated Learning (FL) enables the utilization of vast, previously inaccessible data sources. At the same time, pre-trained Language Models (LMs) have taken the world by storm and for good reason. They exhibit remarkable emergent abilities and are readily adapted to downstream tasks. This opens one of the most exciting frontiers in FL: fine-tuning LMs. Yet, a persistent challenge in FL is the frequent, rigid communication of parameters -- a problem magnified by the sheer size of these contemporary models. The FedOpt family of algorithms has become the go-to approach for FL, relying on fixed but arbitrary intervals for model exchanges. Recently, the FDA algorithm prescribed a dynamic approach by monitoring the training progress. However, it introduced a hard-to-calibrate parameter and imposed a rigid synchronization scheme. In this work, we address these limitations by proposing the FDA-Opt family of algorithms -- a unified generalization of both FDA and FedOpt. Our experimental evaluation focuses on fine-tuning LMs on downstream NLP tasks and demonstrates that FDA-Opt outperforms FedOpt even when it is configured with hyper-parameters specifically optimized for the latter. In other words, we show that FDA-Opt is a practical, drop-in replacement for FedOpt in modern FL libraries and systems: it requires no additional configuration and delivers superior performance out of the box.
♻ ☆ A Robust Twin Parametric Margin Support Vector Machine for Multiclass Classification
In this paper, we introduce novel Twin Parametric Margin Support Vector Machine (TPMSVM) models designed to address multiclass classification tasks under feature uncertainty. To handle data perturbations, we construct bounded-by-norm uncertainty set around each training observation and derive the robust counterparts of the deterministic models using robust optimization techniques. To capture complex data structure, we explore both linear and kernel-induced classifiers, providing computationally tractable reformulations of the resulting robust models. Additionally, we propose two alternatives for the final decision function, enhancing models' flexibility. Finally, we validate the effectiveness of the proposed robust multiclass TPMSVM methodology on real-world datasets, showing the good performance of the approach in the presence of uncertainty.
♻ ☆ Continuous Bayesian Model Selection for Multivariate Causal Discovery
Current causal discovery approaches require restrictive model assumptions in the absence of interventional data to ensure structure identifiability. These assumptions often do not hold in real-world applications leading to a loss of guarantees and poor performance in practice. Recent work has shown that, in the bivariate case, Bayesian model selection can greatly improve performance by exchanging restrictive modelling for more flexible assumptions, at the cost of a small probability of making an error. Our work shows that this approach is useful in the important multivariate case as well. We propose a scalable algorithm leveraging a continuous relaxation of the discrete model selection problem. Specifically, we employ the Causal Gaussian Process Conditional Density Estimator (CGP-CDE) as a Bayesian non-parametric model, using its hyperparameters to construct an adjacency matrix. This matrix is then optimised using the marginal likelihood and an acyclicity regulariser, giving the maximum a posteriori causal graph. We demonstrate the competitiveness of our approach, showing it is advantageous to perform multivariate causal discovery without infeasible assumptions using Bayesian model selection.
♻ ☆ DecDEC: A Systems Approach to Advancing Low-Bit LLM Quantization
Quantization of Large Language Models (LLMs) has recently gained popularity, particularly for on-device settings with limited hardware resources. While efficient, quantization inevitably degrades model quality, especially in aggressive low-bit settings such as 3-bit and 4-bit precision. In this paper, we propose DecDEC, an inference scheme that improves the quality of low-bit LLMs while preserving the key benefits of quantization: GPU memory savings and latency reduction. DecDEC stores the residual matrix -- the difference between full-precision and quantized weights -- in CPU, and dynamically fetches the residuals for only a small portion of the weights. This portion corresponds to the salient channels, marked by activation outliers, with the fetched residuals helping to correct quantization errors in these channels. Salient channels are identified dynamically at each decoding step by analyzing the input activations -- this enables adaptation to the dynamic nature of activation distribution, thus maximizing the effectiveness of error compensation. We demonstrate the effectiveness of DecDEC by augmenting state-of-the-art quantization methods. For example, DecDEC reduces the perplexity of a 3-bit Llama-3-8B-Instruct model from 10.15 to 9.12 -- outperforming its 3.5-bit counterpart -- while adding less than 0.0003\% to GPU memory usage and incurring only a 1.7\% inference slowdown on NVIDIA RTX 4050 Mobile.
comment: OSDI 2025
♻ ☆ Q2SAR: A Quantum Multiple Kernel Learning Approach for Drug Discovery
Quantitative Structure-Activity Relationship (QSAR) modeling is a cornerstone of computational drug discovery. This research demonstrates the successful application of a Quantum Multiple Kernel Learning (QMKL) framework to enhance QSAR classification, showing a notable performance improvement over classical methods. We apply this methodology to a dataset for identifying DYRK1A kinase inhibitors. The workflow involves converting SMILES representations into numerical molecular descriptors, reducing dimensionality via Principal Component Analysis (PCA), and employing a Support Vector Machine (SVM) trained on an optimized combination of multiple quantum and classical kernels. By benchmarking the QMKL-SVM against a classical Gradient Boosting model, we show that the quantum-enhanced approach achieves a superior AUC score, highlighting its potential to provide a quantum advantage in challenging cheminformatics classification tasks.
♻ ☆ Unscrambling disease progression at scale: fast inference of event permutations with optimal transport NeurIPS 2024
Disease progression models infer group-level temporal trajectories of change in patients' features as a chronic degenerative condition plays out. They provide unique insight into disease biology and staging systems with individual-level clinical utility. Discrete models consider disease progression as a latent permutation of events, where each event corresponds to a feature becoming measurably abnormal. However, permutation inference using traditional maximum likelihood approaches becomes prohibitive due to combinatoric explosion, severely limiting model dimensionality and utility. Here we leverage ideas from optimal transport to model disease progression as a latent permutation matrix of events belonging to the Birkhoff polytope, facilitating fast inference via optimisation of the variational lower bound. This enables a factor of 1000 times faster inference than the current state of the art and, correspondingly, supports models with several orders of magnitude more features than the current state of the art can consider. Experiments demonstrate the increase in speed, accuracy and robustness to noise in simulation. Further experiments with real-world imaging data from two separate datasets, one from Alzheimer's disease patients, the other age-related macular degeneration, showcase, for the first time, pixel-level disease progression events in the brain and eye, respectively. Our method is low compute, interpretable and applicable to any progressive condition and data modality, giving it broad potential clinical utility.
comment: Camera-ready version of paper accepted to NeurIPS 2024
♻ ☆ IgCONDA-PET: Weakly-Supervised PET Anomaly Detection using Implicitly-Guided Attention-Conditional Counterfactual Diffusion Modeling -- a Multi-Center, Multi-Cancer, and Multi-Tracer Study
Minimizing the need for pixel-level annotated data to train PET lesion detection and segmentation networks is highly desired and can be transformative, given time and cost constraints associated with expert annotations. Current unsupervised or weakly-supervised anomaly detection methods rely on autoencoder or generative adversarial networks (GANs) trained only on healthy data. While these approaches reduce annotation dependency, GAN-based methods are notably more challenging to train than non-GAN alternatives (such as autoencoders) due to issues such as the simultaneous optimization of two competing networks, mode collapse, and training instability. In this paper, we present the weakly-supervised $\textbf{I}$mplicitly-$\textbf{g}$uided $\textbf{CO}$u$\textbf{N}$terfactual diffusion model for $\textbf{D}$etecting $\textbf{A}$nomalies in $\textbf{PET}$ images (IgCONDA-PET). The solution is developed and validated using PET scans from six retrospective cohorts consisting of a total of 2652 cases (multi-cancer, multi-tracer) containing both local and public datasets (spanning multiple centers). The training is conditioned on image class labels (healthy vs. unhealthy) via attention modules, and we employ implicit diffusion guidance. We perform counterfactual generation which facilitates "unhealthy-to-healthy" domain translation by generating a synthetic, healthy version of an unhealthy input image, enabling the detection of anomalies through the calculated differences. The performance of our method was compared against several other deep learning based weakly-supervised or unsupervised methods as well as traditional methods like 41% SUV$_\text{max}$ thresholding. We also highlight the importance of incorporating attention modules in our network for the detection of small anomalies. The code is publicly available at: https://github.com/ahxmeds/IgCONDA-PET.git.
comment: 48 pages, 13 figures, 4 tables
♻ ☆ Local Look-Ahead Guidance via Verifier-in-the-Loop for Automated Theorem Proving ACL 2025
The most promising recent methods for AI reasoning require applying variants of reinforcement learning (RL) either on rolled out trajectories from the LLMs, even for the step-wise rewards, or large quantities of human-annotated trajectory data. The reliance on the rolled-out trajectory renders the compute cost and time prohibitively high. In particular, the correctness of a reasoning trajectory can typically only be judged at its completion, leading to sparse rewards in RL or requiring expensive synthetic data generation in expert iteration-like methods. In this work, we focus on the Automatic Theorem Proving (ATP) task and propose a novel verifier-in-the-loop design, which, unlike existing approaches that leverage feedback on the entire reasoning trajectory, employs an automated verifier to give intermediate feedback at each step of the reasoning process. Using Lean as the verifier, we empirically show that the step-by-step local verification produces a global improvement in the model's reasoning accuracy and efficiency.
comment: Accepted at the Findings of ACL 2025, Accepted at ICLR 2025 Workshop on Reasoning and Planning for Large Language Models
♻ ☆ Identifying Unknown Stochastic Dynamics via Finite expression methods
Modeling stochastic differential equations (SDEs) is crucial for understanding complex dynamical systems in various scientific fields. Recent methods often employ neural network-based models, which typically represent SDEs through a combination of deterministic and stochastic terms. However, these models usually lack interpretability and have difficulty generalizing beyond their training domain. This paper introduces the Finite Expression Method (FEX), a symbolic learning approach designed to derive interpretable mathematical representations of the deterministic component of SDEs. For the stochastic component, we integrate FEX with advanced generative modeling techniques to provide a comprehensive representation of SDEs. The numerical experiments on linear, nonlinear, and multidimensional SDEs demonstrate that FEX generalizes well beyond the training domain and delivers more accurate long-term predictions compared to neural network-based methods. The symbolic expressions identified by FEX not only improve prediction accuracy but also offer valuable scientific insights into the underlying dynamics of the systems, paving the way for new scientific discoveries.
comment: 19 pages, 15 figures, 5 tables
♻ ☆ AYLA: Amplifying Gradient Sensitivity via Loss Transformation in Non-Convex Optimization
Stochastic Gradient Descent (SGD) and its variants, such as ADAM, are foundational to deep learning optimization, adjusting model parameters through fixed or adaptive learning rates based on loss function gradients. However, these methods often struggle to balance adaptability and efficiency in high-dimensional, non-convex settings. This paper introduces AYLA, a novel optimization framework that enhances training dynamics via loss function transformation. AYLA applies a tunable power-law transformation to the loss, preserving critical points while scaling loss values to amplify gradient sensitivity and accelerate convergence. Additionally, we propose an effective learning rate that dynamically adapts to the transformed loss, further improving optimization efficiency. Empirical evaluations on minimizing a synthetic non-convex polynomial, solving a non-convex curve-fitting task, and performing digit classification (MNIST) and image recognition (CIFAR-100) demonstrate that AYLA consistently outperforms SGD and ADAM in both convergence speed and training stability. By reshaping the loss landscape, AYLA provides a model-agnostic enhancement to existing optimization methods, offering a promising advancement in deep neural network training.
♻ ☆ Multimodal Machine Learning in Mental Health: A Survey of Data, Algorithms, and Challenges
Multimodal machine learning (MML) is rapidly reshaping the way mental-health disorders are detected, characterized, and longitudinally monitored. Whereas early studies relied on isolated data streams -- such as speech, text, or wearable signals -- recent research has converged on architectures that integrate heterogeneous modalities to capture the rich, complex signatures of psychiatric conditions. This survey provides the first comprehensive, clinically grounded synthesis of MML for mental health. We (i) catalog 26 public datasets spanning audio, visual, physiological signals, and text modalities; (ii) systematically compare transformer, graph, and hybrid-based fusion strategies across 28 models, highlighting trends in representation learning and cross-modal alignment. Beyond summarizing current capabilities, we interrogate open challenges: data governance and privacy, demographic and intersectional fairness, evaluation explainability, and the complexity of mental health disorders in multimodal settings. By bridging methodological innovation with psychiatric utility, this survey aims to orient both ML researchers and mental-health practitioners toward the next generation of trustworthy, multimodal decision-support systems.
♻ ☆ Contactless Cardiac Pulse Monitoring Using Event Cameras
Time event cameras are a novel technology for recording scene information at extremely low latency and with low power consumption. Event cameras output a stream of events that encapsulate pixel-level light intensity changes within the scene, capturing information with a higher dynamic range and temporal resolution than traditional cameras. This study investigates the contact-free reconstruction of an individual's cardiac pulse signal from time event recording of their face using a supervised convolutional neural network (CNN) model. An end-to-end model is trained to extract the cardiac signal from a two-dimensional representation of the event stream, with model performance evaluated based on the accuracy of the calculated heart rate. The experimental results confirm that physiological cardiac information in the facial region is effectively preserved within the event stream, showcasing the potential of this novel sensor for remote heart rate monitoring. The model trained on event frames achieves a root mean square error (RMSE) of 3.32 beats per minute (bpm) compared to the RMSE of 2.92 bpm achieved by the baseline model trained on standard camera frames. Furthermore, models trained on event frames generated at 60 and 120 FPS outperformed the 30 FPS standard camera results, achieving an RMSE of 2.54 and 2.13 bpm, respectively.
♻ ☆ ECG-SMART-NET: A Deep Learning Architecture for Precise ECG Diagnosis of Occlusion Myocardial Infarction
Objective: In this paper we develop and evaluate ECG-SMART-NET for occlusion myocardial infarction (OMI) identification. OMI is a severe form of heart attack characterized by complete blockage of one or more coronary arteries requiring immediate referral for cardiac catheterization to restore blood flow to the heart. Two thirds of OMI cases are difficult to visually identify from a 12-lead electrocardiogram (ECG) and can be potentially fatal if not identified quickly. Previous works on this topic are scarce, and current state-of-the-art evidence suggests both feature-based random forests and convolutional neural networks (CNNs) are promising approaches to improve ECG detection of OMI. Methods: While the ResNet architecture has been adapted for use with ECG recordings, it is not ideally suited to capture informative temporal features within each lead and the spatial concordance or discordance across leads. We propose a clinically informed modification of the ResNet-18 architecture. The model first learns temporal features through temporal convolutional layers with 1xk kernels followed by a spatial convolutional layer, after the residual blocks, with 12x1 kernels to learn spatial features. Results: ECG-SMART-NET was benchmarked against the original ResNet-18 and other state-of-the-art models on a multisite real-word clinical dataset that consists of 10,393 ECGs from 7,397 unique patients (rate of OMI =7.2%). ECG-SMART-NET outperformed other models in the classification of OMI with a test AUC of 0.953 [0.921, 0.978]. Conclusion and Significance: ECG-SMART-NET can outperform the state-of-the-art random forest for OMI prediction and is better suited for this task than the original ResNet-18 architecture.
comment: 9 pages, 7 figures, 6 tables
♻ ☆ A text-to-tabular approach to generate synthetic patient data using LLMs
Access to large-scale high-quality healthcare databases is key to accelerate medical research and make insightful discoveries about diseases. However, access to such data is often limited by patient privacy concerns, data sharing restrictions and high costs. To overcome these limitations, synthetic patient data has emerged as an alternative. However, synthetic data generation (SDG) methods typically rely on machine learning (ML) models trained on original data, leading back to the data scarcity problem. We propose an approach to generate synthetic tabular patient data that does not require access to the original data, but only a description of the desired database. We leverage prior medical knowledge and in-context learning capabilities of large language models (LLMs) to generate realistic patient data, even in a low-resource setting. We quantitatively evaluate our approach against state-of-the-art SDG models, using fidelity, privacy, and utility metrics. Our results show that while LLMs may not match the performance of state-of-the-art models trained on the original data, they effectively generate realistic patient data with well-preserved clinical correlations. An ablation study highlights key elements of our prompt contributing to high-quality synthetic patient data generation. This approach, which is easy to use and does not require original data or advanced ML skills, is particularly valuable for quickly generating custom-designed patient data, supporting project implementation and providing educational resources.
comment: 12 pages, 3 figures. Accepted to the 2025 IEEE International Conference on Healthcare Informatics (IEEE ICHI 2025), 2025, Rende (CS), Calabria, Italy
♻ ☆ Constructive Universal Approximation and Finite Sample Memorization by Narrow Deep ReLU Networks
We present a fully constructive analysis of deep ReLU neural networks for classification and function approximation tasks. First, we prove that any dataset with $N$ distinct points in $\mathbb{R}^d$ and $M$ output classes can be exactly classified using a multilayer perceptron (MLP) of width $2$ and depth at most $2N + 4M - 1$, with all network parameters constructed explicitly. This result is sharp with respect to width and is interpreted through the lens of simultaneous or ensemble controllability in discrete nonlinear dynamics. Second, we show that these explicit constructions yield uniform bounds on the parameter norms and, in particular, provide upper estimates for minimizers of standard regularized training loss functionals in supervised learning. As the regularization parameter vanishes, the trained networks converge to exact classifiers with bounded norm, explaining the effectiveness of overparameterized training in the small-regularization regime. We also prove a universal approximation theorem in $L^p(\Omega; \mathbb{R}_+)$ for any bounded domain $\Omega \subset \mathbb{R}^d$ and $p \in [1, \infty)$, using MLPs of fixed width $d + 1$. The proof is constructive, geometrically motivated, and provides explicit estimates on the network depth when the target function belongs to the Sobolev space $W^{1,p}$. We also extend the approximation and depth estimation results to $L^p(\Omega; \mathbb{R}^m)$ for any $m \geq 1$. Our results offer a unified and interpretable framework connecting controllability, expressivity, and training dynamics in deep neural networks.
♻ ☆ Diff-Def: Diffusion-Generated Deformation Fields for Conditional Atlases
Anatomical atlases are widely used for population studies and analysis. Conditional atlases target a specific sub-population defined via certain conditions, such as demographics or pathologies, and allow for the investigation of fine-grained anatomical differences like morphological changes associated with ageing or disease. Existing approaches use either registration-based methods that are often unable to handle large anatomical variations or generative adversarial models, which are challenging to train since they can suffer from training instabilities. Instead of generating atlases directly in as intensities, we propose using latent diffusion models to generate deformation fields, which transform a general population atlas into one representing a specific sub-population. Our approach ensures structural integrity, enhances interpretability and avoids hallucinations that may arise during direct image synthesis by generating this deformation field and regularising it using a neighbourhood of images. We compare our method to several state-of-the-art atlas generation methods using brain MR images from the UK Biobank. Our method generates highly realistic atlases with smooth transformations and high anatomical fidelity, outperforming existing baselines. We demonstrate the quality of these atlases through comprehensive evaluations, including quantitative metrics for anatomical accuracy, perceptual similarity, and qualitative analyses displaying the consistency and realism of the generated atlases.
♻ ☆ Realistic Image-to-Image Machine Unlearning via Decoupling and Knowledge Retention
Machine Unlearning allows participants to remove their data from a trained machine learning model in order to preserve their privacy, and security. However, the machine unlearning literature for generative models is rather limited. The literature for image-to-image generative model (I2I model) considers minimizing the distance between Gaussian noise and the output of I2I model for forget samples as machine unlearning. However, we argue that the machine learning model performs fairly well on unseen data i.e., a retrained model will be able to catch generic patterns in the data and hence will not generate an output which is equivalent to Gaussian noise. In this paper, we consider that the model after unlearning should treat forget samples as out-of-distribution (OOD) data, i.e., the unlearned model should no longer recognize or encode the specific patterns found in the forget samples. To achieve this, we propose a framework which decouples the model parameters with gradient ascent, ensuring that forget samples are OOD for unlearned model with theoretical guarantee. We also provide $(\epsilon, \delta)$-unlearning guarantee for model updates with gradient ascent. The unlearned model is further fine-tuned on the remaining samples to maintain its performance. We also propose an attack model to ensure that the unlearned model has effectively removed the influence of forget samples. Extensive empirical evaluation on two large-scale datasets, ImageNet-1K and Places365 highlights the superiority of our approach. To show comparable performance with retrained model, we also show the comparison of a simple AutoEncoder on various baselines on CIFAR-10 dataset.
♻ ☆ Rethinking Neural Combinatorial Optimization for Vehicle Routing Problems with Different Constraint Tightness Degrees
Recent neural combinatorial optimization (NCO) methods have shown promising problem-solving ability without requiring domain-specific expertise. Most existing NCO methods use training and testing data with a fixed constraint value and lack research on the effect of constraint tightness on the performance of NCO methods. This paper takes the capacity-constrained vehicle routing problem (CVRP) as an example to empirically analyze the NCO performance under different tightness degrees of the capacity constraint. Our analysis reveals that existing NCO methods overfit the capacity constraint, and they can only perform satisfactorily on a small range of the constraint values but poorly on other values. To tackle this drawback of existing NCO methods, we develop an efficient training scheme that explicitly considers varying degrees of constraint tightness and proposes a multi-expert module to learn a generally adaptable solving strategy. Experimental results show that the proposed method can effectively overcome the overfitting issue, demonstrating superior performances on the CVRP and CVRP with time windows (CVRPTW) with various constraint tightness degrees.
comment: arXiv admin note: substantial text overlap with arXiv:2505.13904
♻ ☆ Towards Robust Stability Prediction in Smart Grids: GAN-based Approach under Data Constraints and Adversarial Challenges
Smart grids are crucial for meeting rising energy demands driven by global population growth and urbanization. By integrating renewable energy sources, they enhance efficiency, reliability, and sustainability. However, ensuring their availability and security requires advanced operational control and safety measures. Although artificial intelligence and machine learning can help assess grid stability, challenges such as data scarcity and cybersecurity threats, particularly adversarial attacks, remain. Data scarcity is a major issue, as obtaining real-world instances of grid instability requires significant expertise, resources, and time. Yet, these instances are critical for testing new research advancements and security mitigations. This paper introduces a novel framework for detecting instability in smart grids using only stable data. It employs a Generative Adversarial Network (GAN) where the generator is designed not to produce near-realistic data but instead to generate Out-Of-Distribution (OOD) samples with respect to the stable class. These OOD samples represent unstable behavior, anomalies, or disturbances that deviate from the stable data distribution. By training exclusively on stable data and exposing the discriminator to OOD samples, our framework learns a robust decision boundary to distinguish stable conditions from any unstable behavior, without requiring unstable data during training. Furthermore, we incorporate an adversarial training layer to enhance resilience against attacks. Evaluated on a real-world dataset, our solution achieves up to 98.1\% accuracy in predicting grid stability and 98.9\% in detecting adversarial attacks. Implemented on a single-board computer, it enables real-time decision-making with an average response time of under 7ms.
♻ ☆ Towards Unsupervised Multi-Agent Reinforcement Learning via Task-Agnostic Exploration
In reinforcement learning, we typically refer to unsupervised pre-training when we aim to pre-train a policy without a priori access to the task specification, i.e. rewards, to be later employed for efficient learning of downstream tasks. In single-agent settings, the problem has been extensively studied and mostly understood. A popular approach, called task-agnostic exploration, casts the unsupervised objective as maximizing the entropy of the state distribution induced by the agent's policy, from which principles and methods follow. In contrast, little is known about it in multi-agent settings, which are ubiquitous in the real world. What are the pros and cons of alternative problem formulations in this setting? How hard is the problem in theory, how can we solve it in practice? In this paper, we address these questions by first characterizing those alternative formulations and highlighting how the problem, even when tractable in theory, is non-trivial in practice. Then, we present a scalable, decentralized, trust-region policy search algorithm to address the problem in practical settings. Finally, we provide numerical validations to both corroborate the theoretical findings and pave the way for unsupervised multi-agent reinforcement learning via task-agnostic exploration in challenging domains, showing that optimizing for a specific objective, namely mixture entropy, provides an excellent trade-off between tractability and performances.
♻ ☆ TrainVerify: Equivalence-Based Verification for Distributed LLM Training
Training large language models (LLMs) at scale requires parallel execution across thousands of devices, incurring enormous computational costs. Yet, these costly distributed trainings are rarely verified, leaving them prone to silent errors and potentially wasting millions of GPU hours. We introduce TrainVerify, a system for verifiable distributed training of LLMs. Given a deep learning model's logical specification as the ground truth, TrainVerify formally verifies that a distributed parallel execution plan is mathematically equivalent to it. Direct verification is notoriously difficult due to the sheer scale of LLMs which often involves billions of variables and highly intricate computation graphs. Therefore, TrainVerify introduces shape-reduction techniques and a stage-wise parallel verification algorithm that significantly reduces complexity while preserving formal correctness. TrainVerify scales to frontier LLMs, including the successful verification of the Llama3 (405B) and DeepSeek-V3 (671B) training plans.
♻ ☆ HeNCler: Node Clustering in Heterophilous Graphs via Learned Asymmetric Similarity
Clustering nodes in heterophilous graphs is challenging as traditional methods assume that effective clustering is characterized by high intra-cluster and low inter-cluster connectivity. To address this, we introduce HeNCler-a novel approach for Heterophilous Node Clustering. HeNCler learns a similarity graph by optimizing a clustering-specific objective based on weighted kernel singular value decomposition. Our approach enables spectral clustering on an asymmetric similarity graph, providing flexibility for both directed and undirected graphs. By solving the primal problem directly, our method overcomes the computational difficulties of traditional adjacency partitioning-based approaches. Experimental results show that HeNCler significantly improves node clustering performance in heterophilous graph settings, highlighting the advantage of its asymmetric graph-learning framework.
comment: Accepted at International Conference on Artificial Neural Networks (ICANN 2025), Special Session on Neural Network for Graphs and Beyond
♻ ☆ Tunable correlation retention: A statistical method for generating synthetic data
We propose a method to generate statistically representative synthetic data from a given dataset. The main goal of our method is for the created data set to mimic the inter--feature correlations present in the original data, while also offering a tunable parameter to influence the privacy level. In particular, our method constructs a statistical map by using the empirical conditional distributions between the features of the original dataset. Part of the tunability is achieved by limiting the depths of conditional distributions that are being used. We describe in detail our algorithms used both in the construction of a statistical map and how to use this map to generate synthetic observations. This approach is tested in three different ways: with a hand calculated example; a manufactured dataset; and a real world energy-related dataset of consumption/production of households in Madeira Island. We evaluate the method by comparing the datasets using the Pearson correlation matrix with different levels of resolution and depths of correlation. These two considerations are being viewed as tunable parameters influencing the resulting datasets fidelity and privacy. The proposed methodology is general in the sense that it does not rely on the used test dataset. We expect it to be applicable in a much broader context than indicated here.
♻ ☆ Enhancing Diversity in Parallel Agents: A Maximum State Entropy Exploration Story
Parallel data collection has redefined Reinforcement Learning (RL), unlocking unprecedented efficiency and powering breakthroughs in large-scale real-world applications. In this paradigm, $N$ identical agents operate in $N$ replicas of an environment simulator, accelerating data collection by a factor of $N$. A critical question arises: \textit{Does specializing the policies of the parallel agents hold the key to surpass the $N$ factor acceleration?} In this paper, we introduce a novel learning framework that maximizes the entropy of collected data in a parallel setting. Our approach carefully balances the entropy of individual agents with inter-agent diversity, effectively minimizing redundancies. The latter idea is implemented with a centralized policy gradient method, which shows promise when evaluated empirically against systems of identical agents, as well as synergy with batch RL techniques that can exploit data diversity. Finally, we provide an original concentration analysis that shows faster rates for specialized parallel sampling distributions, which supports our methodology and may be of independent interest.
♻ ☆ Privacy Attacks on Image AutoRegressive Models ICML2025
Image AutoRegressive generation has emerged as a new powerful paradigm with image autoregressive models (IARs) matching state-of-the-art diffusion models (DMs) in image quality (FID: 1.48 vs. 1.58) while allowing for a higher generation speed. However, the privacy risks associated with IARs remain unexplored, raising concerns regarding their responsible deployment. To address this gap, we conduct a comprehensive privacy analysis of IARs, comparing their privacy risks to the ones of DMs as reference points. Concretely, we develop a novel membership inference attack (MIA) that achieves a remarkably high success rate in detecting training images (with a True Positive Rate at False Positive Rate = 1% of 86.38% vs. 6.38% for DMs with comparable attacks). We leverage our novel MIA to provide dataset inference (DI) for IARs, and show that it requires as few as 6 samples to detect dataset membership (compared to 200 for DI in DMs), confirming a higher information leakage in IARs. Finally, we are able to extract hundreds of training data points from an IAR (e.g., 698 from VAR-d30). Our results suggest a fundamental privacy-utility trade-off: while IARs excel in image generation quality and speed, they are empirically significantly more vulnerable to privacy attacks compared to DMs that achieve similar performance. We release the code at https://github.com/sprintml/privacy_attacks_against_iars for reproducibility.
comment: Accepted at ICML2025
♻ ☆ Deep neural networks with ReLU, leaky ReLU, and softplus activation provably overcome the curse of dimensionality for Kolmogorov partial differential equations with Lipschitz nonlinearities in the $L^p$-sense
Recently, several deep learning (DL) methods for approximating high-dimensional partial differential equations (PDEs) have been proposed. The interest that these methods have generated in the literature is in large part due to simulations which appear to demonstrate that such DL methods have the capacity to overcome the curse of dimensionality (COD) for PDEs in the sense that the number of computational operations they require to achieve a certain approximation accuracy $\varepsilon\in(0,\infty)$ grows at most polynomially in the PDE dimension $d\in\mathbb N$ and the reciprocal of $\varepsilon$. While there is thus far no mathematical result that proves that one of such methods is indeed capable of overcoming the COD, there are now a number of rigorous results in the literature that show that deep neural networks (DNNs) have the expressive power to approximate PDE solutions without the COD in the sense that the number of parameters used to describe the approximating DNN grows at most polynomially in both the PDE dimension $d\in\mathbb N$ and the reciprocal of the approximation accuracy $\varepsilon>0$. Roughly speaking, in the literature it is has been proved for every $T>0$ that solutions $u_d\colon [0,T]\times\mathbb R^d\to \mathbb R$, $d\in\mathbb N$, of semilinear heat PDEs with Lipschitz continuous nonlinearities can be approximated by DNNs with ReLU activation at the terminal time in the $L^2$-sense without the COD provided that the initial value functions $\mathbb R^d\ni x\mapsto u_d(0,x)\in\mathbb R$, $d\in\mathbb N$, can be approximated by ReLU DNNs without the COD. It is the key contribution of this work to generalize this result by establishing this statement in the $L^p$-sense with $p\in(0,\infty)$ and by allowing the activation function to be more general covering the ReLU, the leaky ReLU, and the softplus activation functions as special cases.
comment: 52 pages
♻ ☆ Uncertainty Quantification on Graph Learning: A Survey
Graphical models have demonstrated their exceptional capabilities across numerous applications, such as social networks, citation networks, and online recommendation systems. However, their performance, confidence, and trustworthiness are often limited by the inherent randomness in data and the challenges of accurately modeling real-world complexities. There has been increased interest in developing uncertainty quantification (UQ) techniques tailored to graphical models. In this survey, we comprehensively examine existing works on UQ for graphical models, focusing on key aspects such as the sources, representation, handling, and evaluation of uncertainty. This survey distinguishes itself from most existing UQ surveys by specifically concentrating on UQ in graphical models, including probabilistic graphical models (PGMs) and graph neural networks (GNNs). After reviewing sources of uncertainty, we organize the work using two high-level dimensions: uncertainty representation and uncertainty handling. By offering a comprehensive overview of the current landscape, including both established methodologies and emerging trends, we aim to bridge gaps in understanding key challenges and opportunities in UQ for graphical models, hoping to inspire researchers working on graphical models or uncertainty quantification to make further advancements at the cross of the two fields.
♻ ☆ Mixture of Cache-Conditional Experts for Efficient Mobile Device Inference
Mixture of Experts (MoE) LLMs have recently gained attention for their ability to enhance performance by selectively engaging specialized subnetworks or "experts" for each input. However, deploying MoEs on memory-constrained devices remains challenging, particularly when generating tokens sequentially with a batch size of one, as opposed to typical high-throughput settings involving long sequences or large batches. In this work, we optimize MoE on memory-constrained devices where only a subset of expert weights fit in DRAM. We introduce a novel cache-aware routing strategy that leverages expert reuse during token generation to improve cache locality. We evaluate our approach on language modeling, MMLU, and GSM8K benchmarks and present on-device results demonstrating 2$\times$ speedups on mobile devices, offering a flexible, training-free solution to extend MoE's applicability across real-world applications.
comment: Published in Transactions on Machine Learning Research (06/2025)
♻ ☆ SSPS: Self-Supervised Positive Sampling for Robust Self-Supervised Speaker Verification
Self-Supervised Learning (SSL) has led to considerable progress in Speaker Verification (SV). The standard framework uses same-utterance positive sampling and data-augmentation to generate anchor-positive pairs of the same speaker. This is a major limitation, as this strategy primarily encodes channel information from the recording condition, shared by the anchor and positive. We propose a new positive sampling technique to address this bottleneck: Self-Supervised Positive Sampling (SSPS). For a given anchor, SSPS aims to find an appropriate positive, i.e., of the same speaker identity but a different recording condition, in the latent space using clustering assignments and a memory queue of positive embeddings. SSPS improves SV performance for both SimCLR and DINO, reaching 2.57% and 2.53% EER, outperforming SOTA SSL methods on VoxCeleb1-O. In particular, SimCLR-SSPS achieves a 58% EER reduction by lowering intra-speaker variance, providing comparable performance to DINO-SSPS.
comment: accepted at Interspeech 2025
♻ ☆ The Elements of Differentiable Programming
Artificial intelligence has recently experienced remarkable advances, fueled by large models, vast datasets, accelerated hardware, and, last but not least, the transformative power of differentiable programming. This new programming paradigm enables end-to-end differentiation of complex computer programs (including those with control flows and data structures), making gradient-based optimization of program parameters possible. As an emerging paradigm, differentiable programming builds upon several areas of computer science and applied mathematics, including automatic differentiation, graphical models, optimization and statistics. This book presents a comprehensive review of the fundamental concepts useful for differentiable programming. We adopt two main perspectives, that of optimization and that of probability, with clear analogies between the two. Differentiable programming is not merely the differentiation of programs, but also the thoughtful design of programs intended for differentiation. By making programs differentiable, we inherently introduce probability distributions over their execution, providing a means to quantify the uncertainty associated with program outputs.
comment: Draft version 3
♻ ☆ Multi-Continental Healthcare Modelling Using Blockchain-Enabled Federated Learning
One of the biggest challenges of building artificial intelligence (AI) model in the healthcare area is the data sharing. Since healthcare data is private, sensitive, and heterogeneous, collecting sufficient data for modelling is exhausting, costly, and sometimes impossible. In this paper, we propose a framework for global healthcare modelling using datasets from multi-continents (Europe, North America, and Asia) without sharing the local datasets, and choose glucose management as a study model to verify its effectiveness. Technically, blockchain-enabled federated learning is implemented with adaptation to meet the privacy and safety requirements of healthcare data, meanwhile, it rewards honest participation and penalizes malicious activities using its on-chain incentive mechanism. Experimental results show that the proposed framework is effective, efficient, and privacy-preserving. Its prediction accuracy consistently outperforms models trained on limited personal data and achieves comparable or even slightly better results than centralized training in certain scenarios, all while preserving data privacy. This work paves the way for international collaborations on healthcare projects, where additional data is crucial for reducing bias and providing benefits to humanity.
comment: Accepted by IEEE Global Blockchain Conference, 2025
♻ ☆ Meta-Reasoner: Dynamic Guidance for Optimized Inference-time Reasoning in Large Language Models
Large Language Models (LLMs) increasingly rely on prolonged reasoning chains to solve complex tasks. However, this trial-and-error approach often leads to high computational overhead and error propagation, where early mistakes can derail subsequent steps. To address these issues, we introduce Meta-Reasoner, a framework that dynamically optimizes inference-time reasoning by enabling LLMs to "think about how to think." Drawing inspiration from human meta-cognition and dual-process theory, Meta-Reasoner operates as a strategic advisor, decoupling high-level guidance from step-by-step generation. It employs contextual multi-armed bandits to iteratively evaluate reasoning progress and select optimal strategies (e.g., backtrack, clarify ambiguity, restart from scratch, or propose alternative approaches), and reallocates computational resources toward the most promising paths. Our evaluations on mathematical reasoning and puzzles highlight the potential of dynamic reasoning chains to overcome inherent challenges in the LLM reasoning process and also show promise in broader applications, offering a scalable and adaptable solution for reasoning-intensive tasks.
♻ ☆ Online Discovery of Simulation Models for Evolving Business Processes (Extended Version)
Business Process Simulation (BPS) refers to techniques designed to replicate the dynamic behavior of a business process. Many approaches have been proposed to automatically discover simulation models from historical event logs, reducing the cost and time to manually design them. However, in dynamic business environments, organizations continuously refine their processes to enhance efficiency, reduce costs, and improve customer satisfaction. Existing techniques to process simulation discovery lack adaptability to real-time operational changes. In this paper, we propose a streaming process simulation discovery technique that integrates Incremental Process Discovery with Online Machine Learning methods. This technique prioritizes recent data while preserving historical information, ensuring adaptation to evolving process dynamics. Experiments conducted on four different event logs demonstrate the importance in simulation of giving more weight to recent data while retaining historical knowledge. Our technique not only produces more stable simulations but also exhibits robustness in handling concept drift, as highlighted in one of the use cases.
♻ ☆ M3D: Manifold-based Domain Adaptation with Dynamic Distribution for Non-Deep Transfer Learning in Cross-subject and Cross-session EEG-based Emotion Recognition
Emotion decoding using Electroencephalography (EEG)-based affective brain-computer interfaces (aBCIs) plays a crucial role in affective computing but is limited by challenges such as EEG's non-stationarity, individual variability, and the high cost of large labeled datasets. While deep learning methods are effective, they require extensive computational resources and large data volumes, limiting their practical application. To overcome these issues, we propose Manifold-based Domain Adaptation with Dynamic Distribution (M3D), a lightweight, non-deep transfer learning framework. M3D consists of four key modules: manifold feature transformation, dynamic distribution alignment, classifier learning, and ensemble learning. The data is mapped to an optimal Grassmann manifold space, enabling dynamic alignment of source and target domains. This alignment is designed to prioritize both marginal and conditional distributions, improving adaptation efficiency across diverse datasets. In classifier learning, the principle of structural risk minimization is applied to build robust classification models. Additionally, dynamic distribution alignment iteratively refines the classifier. The ensemble learning module aggregates classifiers from different optimization stages to leverage diversity and enhance prediction accuracy. M3D is evaluated on two EEG emotion recognition datasets using two validation protocols (cross-subject single-session and cross-subject cross-session) and a clinical EEG dataset for Major Depressive Disorder (MDD). Experimental results show that M3D outperforms traditional non-deep learning methods with a 4.47% average improvement and achieves deep learning-level performance with reduced data and computational requirements, demonstrating its potential for real-world aBCI applications.
♻ ☆ Improved and Explainable Cervical Cancer Classification using Ensemble Pooling of Block Fused Descriptors
Cervical cancer is the second most common cancer in women and causes high death rates. Earlier models for detecting cervical cancer had limited success. In this work, we propose new models that substantially outperform previous models. Previous studies show that pretrained ResNets extract features from cervical cancer images well. Hence, our first model involves working with three ResNets (50, 101, 152). All the existing works use only the last convolution block of their respective ResNet, which captures abstract features (e.g., shapes, objects). However, we believe that detailed features (e.g., color, edges, texture), coming from earlier convolution blocks, are equally important for cancer (specifically cervical cancer) classification. Since now the number of features become large, we use a novel feature selection technique of Global Max Pooling for detailed features and Global Average Pooling for abstract features. Hence, our second model consists of the resulting Cascaded Block Fused variants of the three ResNets. To improve the performance further, we combine and normalize the features of the three standard ResNets as well as our proposed three Cascaded Block Fused ResNets. This type of combination is also new in cancer classification domain (also in cervical cancer), and results in our third and fourth models, respectively. We use a linear SVM for classification. We exhaustively perform experiments on two public datasets, IARC and AnnoCerv, achieving an average performance of 97.92% and 92.97% surpassing standard ResNets performance of 90.89% and 87.97%, respectively. We outperform the competitive approach available on IARC dataset with an average gain of 13.20%, while no prior competitive work available on AnnoCerv. Additionally, we introduce a novel SHAP+LIME explainability method, accurately identifying the cancerous region in 97% of cases.
comment: 26 Pages, 10 figures, and 8 tables
♻ ☆ Controllable Video Generation with Provable Disentanglement
Controllable video generation remains a significant challenge, despite recent advances in generating high-quality and consistent videos. Most existing methods for controlling video generation treat the video as a whole, neglecting intricate fine-grained spatiotemporal relationships, which limits both control precision and efficiency. In this paper, we propose Controllable Video Generative Adversarial Networks (CoVoGAN) to disentangle the video concepts, thus facilitating efficient and independent control over individual concepts. Specifically, following the minimal change principle, we first disentangle static and dynamic latent variables. We then leverage the sufficient change property to achieve component-wise identifiability of dynamic latent variables, enabling disentangled control of video generation. To establish the theoretical foundation, we provide a rigorous analysis demonstrating the identifiability of our approach. Building on these theoretical insights, we design a Temporal Transition Module to disentangle latent dynamics. To enforce the minimal change principle and sufficient change property, we minimize the dimensionality of latent dynamic variables and impose temporal conditional independence. To validate our approach, we integrate this module as a plug-in for GANs. Extensive qualitative and quantitative experiments on various video generation benchmarks demonstrate that our method significantly improves generation quality and controllability across diverse real-world scenarios.
♻ ☆ ANOVA-boosting for Random Fourier Features
We propose two algorithms for boosting random Fourier feature models for approximating high-dimensional functions. These methods utilize the classical and generalized analysis of variance (ANOVA) decomposition to learn low-order functions, where there are few interactions between the variables. Our algorithms are able to find an index set of important input variables and variable interactions reliably. Furthermore, we generalize already existing random Fourier feature models to an ANOVA setting, where terms of different order can be used. Our algorithms have the advantage of interpretability, meaning that the influence of every input variable is known in the learned model, even for dependent input variables. We give theoretical as well as numerical results that our algorithms perform well for sensitivity analysis. The ANOVA-boosting step reduces the approximation error of existing methods significantly.
♻ ☆ Do Vendi Scores Converge with Finite Samples? Truncated Vendi Score for Finite-Sample Convergence Guarantees
Evaluating the diversity of generative models without reference data poses methodological challenges. The reference-free Vendi and RKE scores address this by quantifying the diversity of generated data using matrix-based entropy measures. Among these two, the Vendi score is typically computed via the eigendecomposition of an $n \times n$ kernel matrix constructed from n generated samples. However, the prohibitive computational cost of eigendecomposition for large $n$ often limits the number of samples used to fewer than 20,000. In this paper, we investigate the statistical convergence of the Vendi and RKE scores under restricted sample sizes. We numerically demonstrate that, in general, the Vendi score computed with standard sample sizes below 20,000 may not converge to its asymptotic value under infinite sampling. To address this, we introduce the $t$-truncated Vendi score by truncating the eigenspectrum of the kernel matrix, which is provably guaranteed to converge to its population limit with $n=\mathcal{O}(t)$ samples. We further show that existing Nystr\"om and FKEA approximation methods converge to the asymptotic limit of the truncated Vendi score. In contrast to the Vendi score, we prove that the RKE score enjoys universal convergence guarantees across all kernel functions. We conduct several numerical experiments to illustrate the concentration of Nystr\"om and FKEA computed Vendi scores around the truncated Vendi score, and we analyze how the truncated Vendi and RKE scores correlate with the diversity of image and text data. The code is available at https://github.com/aziksh-ospanov/truncated-vendi.
♻ ☆ ReDit: Reward Dithering for Improved LLM Policy Optimization
DeepSeek-R1 has successfully enhanced Large Language Model (LLM) reasoning capabilities through its rule-based reward system. While it's a ''perfect'' reward system that effectively mitigates reward hacking, such reward functions are often discrete. Our experimental observations suggest that discrete rewards can lead to gradient anomaly, unstable optimization, and slow convergence. To address this issue, we propose ReDit (Reward Dithering), a method that dithers the discrete reward signal by adding simple random noise. With this perturbed reward, exploratory gradients are continuously provided throughout the learning process, enabling smoother gradient updates and accelerating convergence. The injected noise also introduces stochasticity into flat reward regions, encouraging the model to explore novel policies and escape local optima. Experiments across diverse tasks demonstrate the effectiveness and efficiency of ReDit. On average, ReDit achieves performance comparable to vanilla GRPO with only approximately 10% the training steps, and furthermore, still exhibits a 4% performance improvement over vanilla GRPO when trained for a similar duration. Visualizations confirm significant mitigation of gradient issues with ReDit. Moreover, theoretical analyses are provided to further validate these advantages.
comment: 10 pages, 15 figures
♻ ☆ Flopping for FLOPs: Leveraging equivariance for computational efficiency ICML 2025
Incorporating geometric invariance into neural networks enhances parameter efficiency but typically increases computational costs. This paper introduces new equivariant neural networks that preserve symmetry while maintaining a comparable number of floating-point operations (FLOPs) per parameter to standard non-equivariant networks. We focus on horizontal mirroring (flopping) invariance, common in many computer vision tasks. The main idea is to parametrize the feature spaces in terms of mirror-symmetric and mirror-antisymmetric features, i.e., irreps of the flopping group. This decomposes the linear layers to be block-diagonal, requiring half the number of FLOPs. Our approach reduces both FLOPs and wall-clock time, providing a practical solution for efficient, scalable symmetry-aware architectures.
comment: ICML 2025
♻ ☆ Sum-of-Parts: Self-Attributing Neural Networks with End-to-End Learning of Feature Groups ICML2025
Self-attributing neural networks (SANNs) present a potential path towards interpretable models for high-dimensional problems, but often face significant trade-offs in performance. In this work, we formally prove a lower bound on errors of per-feature SANNs, whereas group-based SANNs can achieve zero error and thus high performance. Motivated by these insights, we propose Sum-of-Parts (SOP), a framework that transforms any differentiable model into a group-based SANN, where feature groups are learned end-to-end without group supervision. SOP achieves state-of-the-art performance for SANNs on vision and language tasks, and we validate that the groups are interpretable on a range of quantitative and semantic metrics. We further validate the utility of SOP explanations in model debugging and cosmological scientific discovery. Our code is available at https://github.com/BrachioLab/sop
comment: ICML2025 Camera Ready
♻ ☆ LAuReL: Learned Augmented Residual Layer
One of the core pillars of efficient deep learning methods is architectural improvements such as the residual/skip connection, which has led to significantly better model convergence and quality. Since then the residual connection has become ubiquitous in not just convolutional neural networks but also transformer-based architectures, the backbone of LLMs. In this paper we introduce Learned Augmented Residual Layer (LAuReL) -- a novel generalization of the canonical residual connection -- with the goal to be an in-situ replacement of the latter while outperforming on both model quality and footprint metrics. Our experiments show that using LAuReL can help boost performance for both vision and language models. For example, on the ResNet-50, ImageNet 1K task, it achieves 60% of the gains from adding an extra layer, while only adding 0.003% more parameters, and matches it while adding 2.6 times fewer parameters. Similarly, when pre-training 1B and 4B parameter LLMs, LAuReL improves performance on a variety of challenging downstream evaluation tasks by 2.54% to 20.05%, while adding only 0.012% and 0.1% additional parameters, respectively.
comment: Accepted at 42nd International Conference on Machine Learning (2025), Vancouver, Canada
♻ ☆ SycnMapV2: Robust and Adaptive Unsupervised Segmentation
Human vision excels at segmenting visual cues without the need for explicit training, and it remains remarkably robust even as noise severity increases. In contrast, existing AI algorithms struggle to maintain accuracy under similar conditions. Here, we present SyncMapV2, the first to solve unsupervised segmentation with state-of-the-art robustness. SyncMapV2 exhibits a minimal drop in mIoU, only 0.01%, under digital corruption, compared to a 23.8% drop observed in SOTA methods. This superior performance extends across various types of corruption: noise (7.3% vs. 37.7%), weather (7.5% vs. 33.8%), and blur (7.0% vs. 29.5%). Notably, SyncMapV2 accomplishes this without any robust training, supervision, or loss functions. It is based on a learning paradigm that uses self-organizing dynamical equations combined with concepts from random networks. Moreover, unlike conventional methods that require re-initialization for each new input, SyncMapV2 adapts online, mimicking the continuous adaptability of human vision. Thus, we go beyond the accurate and robust results, and present the first algorithm that can do all the above online, adapting to input rather than re-initializing. In adaptability tests, SyncMapV2 demonstrates near-zero performance degradation, which motivates and fosters a new generation of robust and adaptive intelligence in the near future.
♻ ☆ Information-Theoretic Proofs for Diffusion Sampling
This paper provides an elementary, self-contained analysis of diffusion-based sampling methods for generative modeling. In contrast to existing approaches that rely on continuous-time processes and then discretize, our treatment works directly with discrete-time stochastic processes and yields precise non-asymptotic convergence guarantees under broad assumptions. The key insight is to couple the sampling process of interest with an idealized comparison process that has an explicit Gaussian-convolution structure. We then leverage simple identities from information theory, including the I-MMSE relationship, to bound the discrepancy (in terms of the Kullback-Leibler divergence) between these two discrete-time processes. In particular, we show that, if the diffusion step sizes are chosen sufficiently small and one can approximate certain conditional mean estimators well, then the sampling distribution is provably close to the target distribution. Our results also provide a transparent view on how to accelerate convergence by using additional randomness in each step to match higher-order moments in the comparison process.
♻ ☆ DF2: Distribution-Free Decision-Focused Learning
Decision-focused learning (DFL), which differentiates through the KKT conditions, has recently emerged as a powerful approach for predict-then-optimize problems. However, under probabilistic settings, DFL faces three major bottlenecks: model mismatch error, sample average approximation error, and gradient approximation error. Model mismatch error stems from the misalignment between the model's parameterized predictive distribution and the true probability distribution. Sample average approximation error arises when using finite samples to approximate the expected optimization objective. Gradient approximation error occurs when the objectives are non-convex and KKT conditions cannot be directly applied. In this paper, we present DF2, the first distribution-free decision-focused learning method designed to mitigate these three bottlenecks. Rather than depending on a task-specific forecaster that requires precise model assumptions, our method directly learns the expected optimization function during training. To efficiently learn this function in a data-driven manner, we devise an attention-based model architecture inspired by the distribution-based parameterization of the expected objective. We evaluate DF2 on two synthetic problems and three real-world problems, demonstrating the effectiveness of DF2. Our code is available at: https://github.com/Lingkai-Kong/DF2.
comment: UAI 2025
♻ ☆ Compound Fault Diagnosis for Train Transmission Systems Using Deep Learning with Fourier-enhanced Representation
Fault diagnosis prevents train disruptions by ensuring the stability and reliability of their transmission systems. Data-driven fault diagnosis models have several advantages over traditional methods in terms of dealing with non-linearity, adaptability, scalability, and automation. However, existing data-driven models are trained on separate transmission components and only consider single faults due to the limitations of existing datasets. These models will perform worse in scenarios where components operate with each other at the same time, affecting each component's vibration signals. To address some of these challenges, we propose a frequency domain representation and a 1-dimensional convolutional neural network for compound fault diagnosis and applied it on the PHM Beijing 2024 dataset, which includes 21 sensor channels, 17 single faults, and 42 compound faults from 4 interacting components, that is, motor, gearbox, left axle box, and right axle box. Our proposed model achieved 97.67% and 93.93% accuracies on the test set with 17 single faults and on the test set with 42 compound faults, respectively.
comment: Accepted for the 2025 IEEE Conference on Prognostics and Health Management (ICPHM 2025)
♻ ☆ Process Reward Models That Think
Step-by-step verifiers -- also known as process reward models (PRMs) -- are a key ingredient for test-time scaling. PRMs require step-level supervision, making them expensive to train. This work aims to build data-efficient PRMs as verbalized step-wise reward models that verify every step in the solution by generating a verification chain-of-thought (CoT). We propose ThinkPRM, a long CoT verifier fine-tuned on orders of magnitude fewer process labels than those required by discriminative PRMs. Our approach capitalizes on the inherent reasoning abilities of long CoT models, and outperforms LLM-as-a-Judge and discriminative verifiers -- using only 1% of the process labels in PRM800K -- across several challenging benchmarks. Specifically, ThinkPRM beats the baselines on ProcessBench, MATH-500, and AIME '24 under best-of-N selection and reward-guided search. In an out-of-domain evaluation on a subset of GPQA-Diamond and LiveCodeBench, our PRM surpasses discriminative verifiers trained on the full PRM800K by 8% and 4.5%, respectively. Lastly, under the same token budget, ThinkPRM scales up verification compute more effectively compared to LLM-as-a-Judge, outperforming it by 7.2% on a subset of ProcessBench. Our work highlights the value of generative, long CoT PRMs that can scale test-time compute for verification while requiring minimal supervision for training. Our code, data, and models will be released at https://github.com/mukhal/thinkprm.
♻ ☆ Learning Treatment Representations for Downstream Instrumental Variable Regression
Traditional instrumental variable (IV) estimators face a fundamental constraint: they can only accommodate as many endogenous treatment variables as available instruments. This limitation becomes particularly challenging in settings where the treatment is presented in a high-dimensional and unstructured manner (e.g. descriptions of patient treatment pathways in a hospital). In such settings, researchers typically resort to applying unsupervised dimension reduction techniques to learn a low-dimensional treatment representation prior to implementing IV regression analysis. We show that such methods can suffer from substantial omitted variable bias due to implicit regularization in the representation learning step. We propose a novel approach to construct treatment representations by explicitly incorporating instrumental variables during the representation learning process. Our approach provides a framework for handling high-dimensional endogenous variables with limited instruments. We demonstrate both theoretically and empirically that fitting IV models on these instrument-informed representations ensures identification of directions that optimize outcome prediction. Our experiments show that our proposed methodology improves upon the conventional two-stage approaches that perform dimension reduction without incorporating instrument information.
♻ ☆ Leveraging Large Language Models to Democratize Access to Costly Datasets for Academic Research
Unequal access to costly datasets essential for empirical research has long hindered researchers from disadvantaged institutions, limiting their ability to contribute to their fields and advance their careers. Recent breakthroughs in Large Language Models (LLMs) have the potential to democratize data access by automating data collection from unstructured sources. We develop and evaluate a novel methodology using GPT-4o-mini within a Retrieval-Augmented Generation (RAG) framework to collect data from corporate disclosures. Our approach achieves human-level accuracy in collecting CEO pay ratios from approximately 10,000 proxy statements and Critical Audit Matters (CAMs) from more than 12,000 10-K filings, with LLM processing times of 9 and 40 minutes respectively, each at a cost under $10. This stands in stark contrast to the hundreds of hours needed for manual collection or the thousands of dollars required for commercial database subscriptions. To foster a more inclusive research community by empowering researchers with limited resources to explore new avenues of inquiry, we share our methodology and the resulting datasets.
comment: 52 pagegs, 5 figures, 5 tables
♻ ☆ SASSHA: Sharpness-aware Adaptive Second-order Optimization with Stable Hessian Approximation ICML 2025
Approximate second-order optimization methods often exhibit poorer generalization compared to first-order approaches. In this work, we look into this issue through the lens of the loss landscape and find that existing second-order methods tend to converge to sharper minima compared to SGD. In response, we propose Sassha, a novel second-order method designed to enhance generalization by explicitly reducing sharpness of the solution, while stabilizing the computation of approximate Hessians along the optimization trajectory. In fact, this sharpness minimization scheme is crafted also to accommodate lazy Hessian updates, so as to secure efficiency besides flatness. To validate its effectiveness, we conduct a wide range of standard deep learning experiments where Sassha demonstrates its outstanding generalization performance that is comparable to, and mostly better than, other methods. We provide a comprehensive set of analyses including convergence, robustness, stability, efficiency, and cost.
comment: ICML 2025
♻ ☆ Understanding Reasoning in Thinking Language Models via Steering Vectors
Recent advances in large language models (LLMs) have led to the development of thinking language models that generate extensive internal reasoning chains before producing responses. While these models achieve improved performance, controlling their reasoning processes remains challenging. This work presents a steering approach for thinking LLMs by analyzing and manipulating specific reasoning behaviors in DeepSeek-R1-Distill models. Through a systematic experiment on 500 tasks across 10 diverse categories, we identify several reasoning behaviors exhibited by thinking models, including expressing uncertainty, generating examples for hypothesis validation, and backtracking in reasoning chains. We demonstrate that these behaviors are mediated by linear directions in the model's activation space and can be controlled using steering vectors. By extracting and applying these vectors, we provide a method to modulate specific aspects of the model's reasoning process, such as its tendency to backtrack or express uncertainty. Our approach offers practical tools for steering reasoning processes in thinking models in a controlled and interpretable manner. We validate our steering method using three DeepSeek-R1-Distill models, demonstrating consistent control across different model architectures.
♻ ☆ A General Framework for Property-Driven Machine Learning
Neural networks have been shown to frequently fail to learn critical safety and correctness properties purely from data, highlighting the need for training methods that directly integrate logical specifications. While adversarial training can be used to improve robustness to small perturbations within $\epsilon$-cubes, domains other than computer vision -- such as control systems and natural language processing -- may require more flexible input region specifications via generalised hyper-rectangles. Differentiable logics offer a way to encode arbitrary logical constraints as additional loss terms that guide the learning process towards satisfying these constraints. In this paper, we investigate how these two complementary approaches can be unified within a single framework for property-driven machine learning, as a step toward effective formal verification of neural networks. We show that well-known properties from the literature are subcases of this general approach, and we demonstrate its practical effectiveness on a case study involving a neural network controller for a drone system. Our framework is made publicly available at https://github.com/tflinkow/property-driven-ml.
comment: 24 pages, 4 tables, 4 figures
♻ ☆ Limits of Discrete Energy of Families of Increasing Sets
The Hausdorff dimension of a set can be detected using the Riesz energy. Here, we consider situations where a sequence of points, $\{x_n\}$, ``fills in'' a set $E \subset \mathbb{R}^d$ in an appropriate sense and investigate the degree to which the discrete analog to the Riesz energy of these sets can be used to bound the Hausdorff dimension of $E$. We also discuss applications to data science and Erd\H{o}s/Falconer type problems.
♻ ☆ Iterative Minimax Games with Coupled Linear Constraints
The study of nonconvex minimax games has gained significant momentum in machine learning and decision science communities due to their fundamental connections to adversarial training scenarios. This work develops a primal-dual alternating proximal gradient (PDAPG) algorithm framework for resolving iterative minimax games featuring nonsmooth nonconvex objectives subject to coupled linear constraints. We establish rigorous convergence guarantees for both nonconvex-strongly concave and nonconvex-concave game configurations, demonstrating that PDAPG achieves an $\varepsilon$-stationary solution within $\mathcal{O}\left( \varepsilon ^{-2} \right)$ iterations for strongly concave settings and $\mathcal{O}\left( \varepsilon ^{-4} \right)$ iterations for concave scenarios. Our analysis provides the first known iteration complexity bounds for this class of constrained minimax games, particularly addressing the critical challenge of coupled linear constraints that induce inherent interdependencies among strategy variables. The proposed game-theoretic framework advances existing solution methodologies by simultaneously handling nonsmooth components and coordinated constraint structures through alternating primal-dual updates.
♻ ☆ Identifying Heterogeneity in Distributed Learning
We study methods for identifying heterogeneous parameter components in distributed M-estimation with minimal data transmission. One is based on a re-normalized Wald test, which is shown to be consistent as long as the number of distributed data blocks $K$ is of a smaller order of the minimum block sample size and the level of heterogeneity is dense. The second one is an extreme contrast test (ECT) based on the difference between the largest and smallest component-wise estimated parameters among data blocks. By introducing a sample splitting procedure, the ECT can avoid the bias accumulation arising from the M-estimation procedures, and exhibits consistency for $K$ being much larger than the sample size while the heterogeneity is sparse. The ECT procedure is easy to operate and communication-efficient. A combination of the Wald and the extreme contrast tests is formulated to attain more robust power under varying levels of sparsity of the heterogeneity. We also conduct intensive numerical experiments to compare the family-wise error rate (FWER) and the power of the proposed methods. Additionally, we conduct a case study to present the implementation and validity of the proposed methods.
♻ ☆ The Alignment Trap: Complexity Barriers
This paper argues that AI alignment is not merely difficult, but is founded on a fundamental logical contradiction. We first establish The Enumeration Paradox: we use machine learning precisely because we cannot enumerate all necessary safety rules, yet making ML safe requires examples that can only be generated from the very enumeration we admit is impossible. This paradox is then confirmed by a set of five independent mathematical proofs, or "pillars of impossibility." Our main results show that: (1) Geometric Impossibility: The set of safe policies has measure zero, a necessary consequence of projecting infinite-dimensional world-context requirements onto finite-dimensional models. (2) Computational Impossibility: Verifying a policy's safety is coNP-complete, even for non-zero error tolerances. (3) Statistical Impossibility: The training data required for safety (abundant examples of rare disasters) is a logical contradiction and thus unobtainable. (4) Information-Theoretic Impossibility: Safety rules contain more incompressible, arbitrary information than any feasible network can store. (5) Dynamic Impossibility: The optimization process for increasing AI capability is actively hostile to safety, as the gradients for the two objectives are generally anti-aligned. Together, these results demonstrate that the pursuit of safe, highly capable AI is not a matter of overcoming technical hurdles, but of confronting fundamental, interlocking barriers. The paper concludes by presenting a strategic trilemma that these impossibilities force upon the field. A formal verification of the core theorems in Lean4 is currently in progress.
comment: 31 Pages, 4 Figures. Substantial revision. Restructured around the Enumeration Paradox and Five Pillars of Impossibility. Core mathematical results unchanged but significantly expanded. Added new impossibility proofs from statistical, information-theoretic, and dynamic perspectives
♻ ☆ Neural network-based Godunov corrections for approximate Riemann solvers using bi-fidelity learning
The Riemann problem is fundamental in the computational modeling of hyperbolic partial differential equations, enabling the development of stable and accurate upwind schemes. While exact solvers provide robust upwinding fluxes, their high computational cost necessitates approximate solvers. Although approximate solvers achieve accuracy in many scenarios, they produce inaccurate solutions in certain cases. To overcome this limitation, we propose constructing neural network-based surrogate models, trained using supervised learning, designed to map interior and exterior conservative state variables to the corresponding exact flux. Specifically, we propose two distinct approaches: one utilizing a vanilla neural network and the other employing a bi-fidelity neural network. The performance of the proposed approaches is demonstrated through applications to one-dimensional and two-dimensional partial differential equations, showcasing their robustness and accuracy.
comment: 22 pages, 17 figures
♻ ☆ Evaluating Long Range Dependency Handling in Code Generation LLMs
As language models support larger and larger context sizes, evaluating their ability to make effective use of that context becomes increasingly important. We analyze the ability of several code generation models to handle long range dependencies using a suite of multi-step key retrieval tasks in context windows up to 8k tokens in length. The tasks progressively increase in difficulty and allow more nuanced evaluation of model capabilities than tests like the popular needle-in-the-haystack test. We find that performance degrades significantly for many models (up to 2x) when a function references another function that is defined later in the prompt. We also observe that models that use sliding window attention mechanisms have difficulty handling references further than the size of a single window. We perform simple prompt modifications using call graph information to improve multi-step retrieval performance up to 3x. Our analysis highlights ways that long-context performance needs deeper consideration beyond retrieval of single facts within a document.
comment: 36 pages, 18 figures
♻ ☆ Towards Better Benchmark Datasets for Inductive Knowledge Graph Completion KDD'25
Knowledge Graph Completion (KGC) attempts to predict missing facts in a Knowledge Graph (KG). Recently, there's been an increased focus on designing KGC methods that can excel in the inductive setting, where a portion or all of the entities and relations seen in inference are unobserved during training. Numerous benchmark datasets have been proposed for inductive KGC, all of which are subsets of existing KGs used for transductive KGC. However, we find that the current procedure for constructing inductive KGC datasets inadvertently creates a shortcut that can be exploited even while disregarding the relational information. Specifically, we observe that the Personalized PageRank (PPR) score can achieve strong or near SOTA performance on most datasets. In this paper, we study the root cause of this problem. Using these insights, we propose an alternative strategy for constructing inductive KGC datasets that helps mitigate the PPR shortcut. We then benchmark multiple popular methods using the newly constructed datasets and analyze their performance. The new benchmark datasets help promote a better understanding of the capabilities and challenges of inductive KGC by removing any shortcuts that obfuscate performance. The code and dataset and can be found at https://github.com/HarryShomer/Better-Inductive-KGC.
comment: KDD'25 Datasets & Benchmark Track
♻ ☆ DRO-Augment Framework: Robustness by Synergizing Wasserstein Distributionally Robust Optimization and Data Augmentation
In many real-world applications, ensuring the robustness and stability of deep neural networks (DNNs) is crucial, particularly for image classification tasks that encounter various input perturbations. While data augmentation techniques have been widely adopted to enhance the resilience of a trained model against such perturbations, there remains significant room for improvement in robustness against corrupted data and adversarial attacks simultaneously. To address this challenge, we introduce DRO-Augment, a novel framework that integrates Wasserstein Distributionally Robust Optimization (W-DRO) with various data augmentation strategies to improve the robustness of the models significantly across a broad spectrum of corruptions. Our method outperforms existing augmentation methods under severe data perturbations and adversarial attack scenarios while maintaining the accuracy on the clean datasets on a range of benchmark datasets, including but not limited to CIFAR-10-C, CIFAR-100-C, MNIST, and Fashion-MNIST. On the theoretical side, we establish novel generalization error bounds for neural networks trained using a computationally efficient, variation-regularized loss function closely related to the W-DRO problem.
comment: 26 pages,3 figures
♻ ☆ Scalable Machine Learning Algorithms using Path Signatures
The interface between stochastic analysis and machine learning is a rapidly evolving field, with path signatures - iterated integrals that provide faithful, hierarchical representations of paths - offering a principled and universal feature map for sequential and structured data. Rooted in rough path theory, path signatures are invariant to reparameterization and well-suited for modelling evolving dynamics, long-range dependencies, and irregular sampling - common challenges in real-world time series and graph data. This thesis investigates how to harness the expressive power of path signatures within scalable machine learning pipelines. It introduces a suite of models that combine theoretical robustness with computational efficiency, bridging rough path theory with probabilistic modelling, deep learning, and kernel methods. Key contributions include: Gaussian processes with signature kernel-based covariance functions for uncertainty-aware time series modelling; the Seq2Tens framework, which employs low-rank tensor structure in the weight space for scalable deep modelling of long-range dependencies; and graph-based models where expected signatures over graphs induce hypo-elliptic diffusion processes, offering expressive yet tractable alternatives to standard graph neural networks. Further developments include Random Fourier Signature Features, a scalable kernel approximation with theoretical guarantees, and Recurrent Sparse Spectrum Signature Gaussian Processes, which combine Gaussian processes, signature kernels, and random features with a principled forgetting mechanism for multi-horizon time series forecasting with adaptive context length. We hope this thesis serves as both a methodological toolkit and a conceptual bridge, and provides a useful reference for the current state of the art in scalable, signature-based learning for sequential and structured data.
comment: PhD thesis
♻ ☆ In-Context Learning for Gradient-Free Receiver Adaptation: Principles, Applications, and Theory
In recent years, deep learning has facilitated the creation of wireless receivers capable of functioning effectively in conditions that challenge traditional model-based designs. Leveraging programmable hardware architectures, deep learning-based receivers offer the potential to dynamically adapt to varying channel environments. However, current adaptation strategies, including joint training, hypernetwork-based methods, and meta-learning, either demonstrate limited flexibility or necessitate explicit optimization through gradient descent. This paper presents gradient-free adaptation techniques rooted in the emerging paradigm of in-context learning (ICL). We review architectural frameworks for ICL based on Transformer models and structured state-space models (SSMs), alongside theoretical insights into how sequence models effectively learn adaptation from contextual information. Further, we explore the application of ICL to cell-free massive MIMO networks, providing both theoretical analyses and empirical evidence. Our findings indicate that ICL represents a principled and efficient approach to real-time receiver adaptation using pilot signals and auxiliary contextual information-without requiring online retraining.
♻ ☆ Follow-the-Perturbed-Leader Approaches Best-of-Both-Worlds for the m-Set Semi-Bandit Problems
We consider a common case of the combinatorial semi-bandit problem, the $m$-set semi-bandit, where the learner exactly selects $m$ arms from the total $d$ arms. In the adversarial setting, the best regret bound, known to be $\mathcal{O}(\sqrt{nmd})$ for time horizon $n$, is achieved by the well-known Follow-the-Regularized-Leader (FTRL) policy. However, this requires to explicitly compute the arm-selection probabilities via optimizing problems at each time step and sample according to them. This problem can be avoided by the Follow-the-Perturbed-Leader (FTPL) policy, which simply pulls the $m$ arms that rank among the $m$ smallest (estimated) loss with random perturbation. In this paper, we show that FTPL with a Fr\'echet perturbation also enjoys the near optimal regret bound $\mathcal{O}(\sqrt{nm}(\sqrt{d\log(d)}+m^{5/6}))$ in the adversarial setting and approaches best-of-both-world regret bounds, i.e., achieves a logarithmic regret for the stochastic setting. Moreover, our lower bounds show that the extra factors are unavoidable with our approach; any improvement would require a fundamentally different and more challenging method.
♻ ☆ MaizeField3D: A Curated 3D Point Cloud and Procedural Model Dataset of Field-Grown Maize from a Diversity Panel
The development of artificial intelligence (AI) and machine learning (ML) based tools for 3D phenotyping, especially for maize, has been limited due to the lack of large and diverse 3D datasets. 2D image datasets fail to capture essential structural details such as leaf architecture, plant volume, and spatial arrangements that 3D data provide. To address this limitation, we present MaizeField3D (https://baskargroup.github.io/MaizeField3D/), a curated dataset of 3D point clouds of field-grown maize plants from a diverse genetic panel, designed to be AI-ready for advancing agricultural research. Our dataset includes 1,045 high-quality point clouds of field-grown maize collected using a terrestrial laser scanner (TLS). Point clouds of 520 plants from this dataset were segmented and annotated using a graph-based segmentation method to isolate individual leaves and stalks, ensuring consistent labeling across all samples. This labeled data was then used for fitting procedural models that provide a structured parametric representation of the maize plants. The leaves of the maize plants in the procedural models are represented using Non-Uniform Rational B-Spline (NURBS) surfaces that were generated using a two-step optimization process combining gradient-free and gradient-based methods. We conducted rigorous manual quality control on all datasets, correcting errors in segmentation, ensuring accurate leaf ordering, and validating metadata annotations. The dataset also includes metadata detailing plant morphology and quality, alongside multi-resolution subsampled point cloud data (100k, 50k, 10k points), which can be readily used for different downstream computational tasks. MaizeField3D will serve as a comprehensive foundational dataset for AI-driven phenotyping, plant structural analysis, and 3D applications in agricultural research.
comment: Elvis Kimara and Mozhgan Hadadi contributed equally to this work
♻ ☆ Proofs as Explanations: Short Certificates for Reliable Predictions
We consider a model for explainable AI in which an explanation for a prediction $h(x)=y$ consists of a subset $S'$ of the training data (if it exists) such that all classifiers $h' \in H$ that make at most $b$ mistakes on $S'$ predict $h'(x)=y$. Such a set $S'$ serves as a proof that $x$ indeed has label $y$ under the assumption that (1) the target function $h^\star$ belongs to $H$, and (2) the set $S$ contains at most $b$ corrupted points. For example, if $b=0$ and $H$ is the family of linear classifiers in $\mathbb{R}^d$, and if $x$ lies inside the convex hull of the positive data points in $S$ (and hence every consistent linear classifier labels $x$ as positive), then Carath\'eodory's theorem states that $x$ lies inside the convex hull of $d+1$ of those points. So, a set $S'$ of size $d+1$ could be released as an explanation for a positive prediction, and would serve as a short proof of correctness of the prediction under the assumption of realizability. In this work, we consider this problem more generally, for general hypothesis classes $H$ and general values $b\geq 0$. We define the notion of the robust hollow star number of $H$ (which generalizes the standard hollow star number), and show that it precisely characterizes the worst-case size of the smallest certificate achievable, and analyze its size for natural classes. We also consider worst-case distributional bounds on certificate size, as well as distribution-dependent bounds that we show tightly control the sample size needed to get a certificate for any given test example. In particular, we define a notion of the certificate coefficient $\varepsilon_x$ of an example $x$ with respect to a data distribution $D$ and target function $h^\star$, and prove matching upper and lower bounds on sample size as a function of $\varepsilon_x$, $b$, and the VC dimension $d$ of $H$.
comment: Fixed typo for robust hollow star number sb -> s_b, updated bibliography, other minor changes
♻ ☆ FORTRESS: Frontier Risk Evaluation for National Security and Public Safety NeurIPS
The rapid advancement of large language models (LLMs) introduces dual-use capabilities that could both threaten and bolster national security and public safety (NSPS). Models implement safeguards to protect against potential misuse relevant to NSPS and allow for benign users to receive helpful information. However, current benchmarks often fail to test safeguard robustness to potential NSPS risks in an objective, robust way. We introduce FORTRESS: 500 expert-crafted adversarial prompts with instance-based rubrics of 4-7 binary questions for automated evaluation across 3 domains (unclassified information only): Chemical, Biological, Radiological, Nuclear and Explosive (CBRNE), Political Violence & Terrorism, and Criminal & Financial Illicit Activities, with 10 total subcategories across these domains. Each prompt-rubric pair has a corresponding benign version to test for model over-refusals. This evaluation of frontier LLMs' safeguard robustness reveals varying trade-offs between potential risks and model usefulness: Claude-3.5-Sonnet demonstrates a low average risk score (ARS) (14.09 out of 100) but the highest over-refusal score (ORS) (21.8 out of 100), while Gemini 2.5 Pro shows low over-refusal (1.4) but a high average potential risk (66.29). Deepseek-R1 has the highest ARS at 78.05, but the lowest ORS at only 0.06. Models such as o1 display a more even trade-off between potential risks and over-refusals (with an ARS of 21.69 and ORS of 5.2). To provide policymakers and researchers with a clear understanding of models' potential risks, we publicly release FORTRESS at https://huggingface.co/datasets/ScaleAI/fortress_public. We also maintain a private set for evaluation.
comment: 12 pages, 7 figures, submitted to NeurIPS
♻ ☆ COBRA-PPM: A Causal Bayesian Reasoning Architecture Using Probabilistic Programming for Robot Manipulation Under Uncertainty
Manipulation tasks require robots to reason about cause and effect when interacting with objects. Yet, many data-driven approaches lack causal semantics and thus only consider correlations. We introduce COBRA-PPM, a novel causal Bayesian reasoning architecture that combines causal Bayesian networks and probabilistic programming to perform interventional inference for robot manipulation under uncertainty. We demonstrate its capabilities through high-fidelity Gazebo-based experiments on an exemplar block stacking task, where it predicts manipulation outcomes with high accuracy (Pred Acc: 88.6%) and performs greedy next-best action selection with a 94.2% task success rate. We further demonstrate sim2real transfer on a domestic robot, showing effectiveness in handling real-world uncertainty from sensor noise and stochastic actions. Our generalised and extensible framework supports a wide range of manipulation scenarios and lays a foundation for future work at the intersection of robotics and causality.
comment: 8 pages, 7 figures, accepted to the 2025 IEEE European Conference on Mobile Robots (ECMR 2025)
♻ ☆ Fuzz-Testing Meets LLM-Based Agents: An Automated and Efficient Framework for Jailbreaking Text-To-Image Generation Models
Text-to-image (T2I) generative models have revolutionized content creation by transforming textual descriptions into high-quality images. However, these models are vulnerable to jailbreaking attacks, where carefully crafted prompts bypass safety mechanisms to produce unsafe content. While researchers have developed various jailbreak attacks to expose this risk, these methods face significant limitations, including impractical access requirements, easily detectable unnatural prompts, restricted search spaces, and high query demands on the target system. In this paper, we propose JailFuzzer, a novel fuzzing framework driven by large language model (LLM) agents, designed to efficiently generate natural and semantically meaningful jailbreak prompts in a black-box setting. Specifically, JailFuzzer employs fuzz-testing principles with three components: a seed pool for initial and jailbreak prompts, a guided mutation engine for generating meaningful variations, and an oracle function to evaluate jailbreak success. Furthermore, we construct the guided mutation engine and oracle function by LLM-based agents, which further ensures efficiency and adaptability in black-box settings. Extensive experiments demonstrate that JailFuzzer has significant advantages in jailbreaking T2I models. It generates natural and semantically coherent prompts, reducing the likelihood of detection by traditional defenses. Additionally, it achieves a high success rate in jailbreak attacks with minimal query overhead, outperforming existing methods across all key metrics. This study underscores the need for stronger safety mechanisms in generative models and provides a foundation for future research on defending against sophisticated jailbreaking attacks. JailFuzzer is open-source and available at this repository: https://github.com/YingkaiD/JailFuzzer.
♻ ☆ Protein Structure Tokenization: Benchmarking and New Recipe ICML 2025
Recent years have witnessed a surge in the development of protein structural tokenization methods, which chunk protein 3D structures into discrete or continuous representations. Structure tokenization enables the direct application of powerful techniques like language modeling for protein structures, and large multimodal models to integrate structures with protein sequences and functional texts. Despite the progress, the capabilities and limitations of these methods remain poorly understood due to the lack of a unified evaluation framework. We first introduce StructTokenBench, a framework that comprehensively evaluates the quality and efficiency of structure tokenizers, focusing on fine-grained local substructures rather than global structures, as typical in existing benchmarks. Our evaluations reveal that no single model dominates all benchmarking perspectives. Observations of codebook under-utilization led us to develop AminoAseed, a simple yet effective strategy that enhances codebook gradient updates and optimally balances codebook size and dimension for improved tokenizer utilization and quality. Compared to the leading model ESM3, our method achieves an average of 6.31% performance improvement across 24 supervised tasks, with sensitivity and utilization rates increased by 12.83% and 124.03%, respectively. Source code and model weights are available at https://github.com/KatarinaYuan/StructTokenBench
comment: Accepted at ICML 2025
♻ ☆ SA-Solver: Stochastic Adams Solver for Fast Sampling of Diffusion Models NeurIPS 2023
Diffusion Probabilistic Models (DPMs) have achieved considerable success in generation tasks. As sampling from DPMs is equivalent to solving diffusion SDE or ODE which is time-consuming, numerous fast sampling methods built upon improved differential equation solvers are proposed. The majority of such techniques consider solving the diffusion ODE due to its superior efficiency. However, stochastic sampling could offer additional advantages in generating diverse and high-quality data. In this work, we engage in a comprehensive analysis of stochastic sampling from two aspects: variance-controlled diffusion SDE and linear multi-step SDE solver. Based on our analysis, we propose \textit{SA-Solver}, which is an improved efficient stochastic Adams method for solving diffusion SDE to generate data with high quality. Our experiments show that \textit{SA-Solver} achieves: 1) improved or comparable performance compared with the existing state-of-the-art (SOTA) sampling methods for few-step sampling; 2) SOTA FID on substantial benchmark datasets under a suitable number of function evaluations (NFEs). Code is available at https://github.com/scxue/SA-Solver.
comment: Accepted in NeurIPS 2023
♻ ☆ LLM Watermarking Using Mixtures and Statistical-to-Computational Gaps
Given a text, can we determine whether it was generated by a large language model (LLM) or by a human? A widely studied approach to this problem is watermarking. We propose an undetectable and elementary watermarking scheme in the closed setting. Also, in the harder open setting, where the adversary has access to most of the model, we propose an unremovable watermarking scheme.
♻ ☆ C-Learner: Constrained Learning for Causal Inference
Popular debiased estimation methods for causal inference -- such as augmented inverse propensity weighting and targeted maximum likelihood estimation -- enjoy desirable asymptotic properties like statistical efficiency and double robustness but they can produce unstable estimates when there is limited overlap between treatment and control, requiring additional assumptions or ad hoc adjustments in practice (e.g., truncating propensity scores). In contrast, simple plug-in estimators are stable but lack desirable asymptotic properties. We propose a novel debiasing approach that achieves the best of both worlds, producing stable plug-in estimates with desirable asymptotic properties. Our constrained learning framework solves for the best plug-in estimator under the constraint that the first-order error with respect to the plugged-in quantity is zero, and can leverage flexible model classes including neural networks and tree ensembles. In several experimental settings, including ones in which we handle text-based covariates by fine-tuning language models, our constrained learning-based estimator outperforms basic versions of one-step estimation and targeting in challenging settings with limited overlap between treatment and control, and performs similarly otherwise. Finally, to understand why our method exhibits superior performance in settings with low overlap, we present a theoretical example with heavy-tailed inverse propensity scores in which other debiased estimators converge more slowly compared to ours.
♻ ☆ Anomaly Detection and Radio-frequency Interference Classification with Unsupervised Learning in Narrowband Radio Technosignature Searches
The search for radio technosignatures is an anomaly detection problem: Candidate signals represent needles of interest in the proverbial haystack of radio-frequency interference (RFI). Current search frameworks find an enormity of false-positive signals, especially in large surveys, requiring manual follow-up to a sometimes prohibitive degree. Unsupervised learning provides an algorithmic way to winnow the most anomalous signals from the chaff, as well as group together RFI signals that bear morphological similarities. We present GLOBULAR (Grouping Low-frequency Observations By Unsupervised Learning After Reduction) clustering, a signal processing method that uses HDBSCAN to reduce the false-positive rate and isolate outlier signals for further analysis. When combined with a standard narrowband signal detection and spatial filtering pipeline, such as turboSETI, GLOBULAR clustering offers significant improvements in the false-positive rate over the standard pipeline alone, suggesting dramatic potential for the amelioration of manual follow-up requirements for future large surveys. By removing RFI signals in regions of high spectral occupancy, GLOBULAR clustering may also enable the detection of signals missed by the standard pipeline. We benchmark our method against the Choza et al. turboSETI-only search of 97 nearby galaxies at the L band, demonstrating a false-positive hit reduction rate of 93.1% and a false-positive event reduction rate of 99.3%.
comment: 21 pages, 14 figures
♻ ☆ Bridging the Gap Between Approximation and Learning via Optimal Approximation by ReLU MLPs of Maximal Regularity
The foundations of deep learning are supported by the seemingly opposing perspectives of approximation or learning theory. The former advocates for large/expressive models that need not generalize, while the latter considers classes that generalize but may be too small/constrained to be universal approximators. Motivated by real-world deep learning implementations that are both expressive and statistically reliable, we ask: "Is there a class of neural networks that is both large enough to be universal but structured enough to generalize?" This paper constructively provides a positive answer to this question by identifying a highly structured class of ReLU multilayer perceptions (MLPs), which are optimal function approximators and are statistically well-behaved. We show that any $(L,\alpha)$-H\"{o}lder function from $[0,1]^d$ to $[-n,n]$ can be approximated to a uniform $\mathcal{O}(1/n)$ error on $[0,1]^d$ with a sparsely connected ReLU MLP with the same H\"{o}lder exponent $\alpha$ and coefficient $L$, of width $\mathcal{O}(dn^{d/\alpha})$, depth $\mathcal{O}(\log(d))$, with $\mathcal{O}(dn^{d/\alpha})$ nonzero parameters, and whose weights and biases take values in $\{0,\pm 1/2\}$ except in the first and last layers which instead have magnitude at-most $n$. Further, our class of MLPs achieves a near-optimal sample complexity of $\mathcal{O}(\log(N)/\sqrt{N})$ when given $N$ i.i.d. normalized sub-Gaussian training samples. We achieve this through a new construction that perfectly fits together linear pieces using Kuhn triangulations, along with a new proof technique which shows that our construction preserves the regularity of not only the H\"{o}lder functions, but also any uniformly continuous function. Our results imply that neural networks can solve the McShane extension problem on suitable finite sets.
comment: 16 pages main body, 40 pages proofs, 10 figures, 1 table
Quantitative Methods 5
☆ From Brownian dynamics to Poisson-Nernst-Planck equations: multi-resolution simulations of ions
Starting with a microscopic (individual-based) Brownian dynamics model of charged particles (ions), its macroscopic description is derived as a system of partial differential equations that govern the evolution of ion concentrations in space and time. The macroscopic equations are obtained in the form of the Poisson-Nernst-Planck system. A multi-resolution method for simulating charged particles is then developed, combining the detailed Brownian dynamics model in a part of the computational domain with coarser macroscopic equations in the remainder. The strengths, limitations, and applicability of microscopic, macroscopic, and multi-resolution simulation approaches are demonstrated through an illustrative model comprising a system of Na$^+$ and Cl$^-$ ions.
☆ PocketVina Enables Scalable and Highly Accurate Physically Valid Docking through Multi-Pocket Conditioning
Sampling physically valid ligand-binding poses remains a major challenge in molecular docking, particularly for unseen or structurally diverse targets. We introduce PocketVina, a fast and memory-efficient, search-based docking framework that combines pocket prediction with systematic multi-pocket exploration. We evaluate PocketVina across four established benchmarks--PDBbind2020 (timesplit and unseen), DockGen, Astex, and PoseBusters--and observe consistently strong performance in sampling physically valid docking poses. PocketVina achieves state-of-the-art performance when jointly considering ligand RMSD and physical validity (PB-valid), while remaining competitive with deep learning-based approaches in terms of RMSD alone, particularly on structurally diverse and previously unseen targets. PocketVina also maintains state-of-the-art physically valid docking accuracy across ligands with varying degrees of flexibility. We further introduce TargetDock-AI, a benchmarking dataset we curated, consisting of over 500000 protein-ligand pairs, and a partition of the dataset labeled with PubChem activity annotations. On this large-scale dataset, PocketVina successfully discriminates active from inactive targets, outperforming a deep learning baseline while requiring significantly less GPU memory and runtime. PocketVina offers a robust and scalable docking strategy that requires no task-specific training and runs efficiently on standard GPUs, making it well-suited for high-throughput virtual screening and structure-based drug discovery.
☆ Tube into pearls: A membrane-driven pearling instability shapes platelet biogenesis
At the end of the 19th century, Rayleigh and Plateau explained the physical principle behind the fragmentation of a liquid jet into regular droplets commonly observed in everyday life from a faucet. The classical Rayleigh-Plateau instability concerns liquid jets governed by inertia and surface tension, whereas biological tubes are membrane-bounded and inertia-free. We therefore refer to the process observed here as a pearling instability, formally analogous to Rayleigh-Plateau but dominated by membrane mechanics. Although pearling-type instabilities have long been recognised in lipid tubes and some biological systems, a clear physiological example remained elusive. Here, we present results showing that pearling instability occurs during the physiological process of platelet formation. Platelets are formed from megakaryocytes in the bone marrow by the extension of long protrusions, called proplatelets, that traverse the blood vessels. As they extend in the bloodstream, proplatelets become pearled and detach. Long and pearled proplatelets then circulate in the peripheral blood before their fragmentation into calibrated platelets. We propose that this pearling, by creating regular constrictions along the proplatelet, is key to the process of proplatelet fragmentation into individual platelets of calibrated size. Pearling instability thus acts as a mechanobiological regulator allowing local delivery of the right size platelets to the right place at the right time. Our observations quantitatively match parameter-free theoretical predictions for membrane pearling, supporting a unified physical picture.
♻ ☆ Screen Them All: High-Throughput Pan-Cancer Genetic and Phenotypic Biomarker Screening from H&E Whole Slide Images
Molecular assays are standard of care for detecting genomic alterations in cancer prognosis and therapy selection but are costly, tissue-destructive and time-consuming. Artificial intelligence (AI) applied to routine hematoxylin and eosin (H&E)-stained whole slide images (WSIs) offers a fast and economical alternative for screening molecular biomarkers. We introduce OmniScreen, a high-throughput AI-based system leveraging Virchow2 embeddings extracted from 60,529 cancer patients with paired 489-gene MSK-IMPACT targeted biomarker panel and WSIs. Unlike conventional approaches that train separate models for each biomarker, OmniScreen employs a unified model to predict a broad range of clinically relevant biomarkers across cancers, including low-prevalence targets impractical to model individually. OmniScreen reliably identifies therapeutic targets and shared phenotypic features across common and rare tumors. We investigate the biomarker prediction probabilities and accuracies of OmniScreen in relation to tumor area, cohort size, histologic subtype alignment, and pathway-level morphological patterns. These findings underscore the potential of OmniScreen for routine clinical screening.
♻ ☆ Protein Structure Tokenization: Benchmarking and New Recipe ICML 2025
Recent years have witnessed a surge in the development of protein structural tokenization methods, which chunk protein 3D structures into discrete or continuous representations. Structure tokenization enables the direct application of powerful techniques like language modeling for protein structures, and large multimodal models to integrate structures with protein sequences and functional texts. Despite the progress, the capabilities and limitations of these methods remain poorly understood due to the lack of a unified evaluation framework. We first introduce StructTokenBench, a framework that comprehensively evaluates the quality and efficiency of structure tokenizers, focusing on fine-grained local substructures rather than global structures, as typical in existing benchmarks. Our evaluations reveal that no single model dominates all benchmarking perspectives. Observations of codebook under-utilization led us to develop AminoAseed, a simple yet effective strategy that enhances codebook gradient updates and optimally balances codebook size and dimension for improved tokenizer utilization and quality. Compared to the leading model ESM3, our method achieves an average of 6.31% performance improvement across 24 supervised tasks, with sensitivity and utilization rates increased by 12.83% and 124.03%, respectively. Source code and model weights are available at https://github.com/KatarinaYuan/StructTokenBench
comment: Accepted at ICML 2025
Computation and Language 113
☆ jina-embeddings-v4: Universal Embeddings for Multimodal Multilingual Retrieval
We introduce jina-embeddings-v4, a 3.8 billion parameter multimodal embedding model that unifies text and image representations through a novel architecture supporting both single-vector and multi-vector embeddings in the late interaction style. The model incorporates task-specific Low-Rank Adaptation (LoRA) adapters to optimize performance across diverse retrieval scenarios, including query-based information retrieval, cross-modal semantic similarity, and programming code search. Comprehensive evaluations demonstrate that jina-embeddings-v4 achieves state-of-the-art performance on both single- modal and cross-modal retrieval tasks, with particular strength in processing visually rich content such as tables, charts, diagrams, and mixed-media formats. To facilitate evaluation of this capability, we also introduce Jina-VDR, a novel benchmark specifically designed for visually rich image retrieval.
comment: 22 pages, 1-10 main, 14-22 experimental results, benchmark tables
☆ Vision as a Dialect: Unifying Visual Understanding and Generation via Text-Aligned Representations
This paper presents a multimodal framework that attempts to unify visual understanding and generation within a shared discrete semantic representation. At its core is the Text-Aligned Tokenizer (TA-Tok), which converts images into discrete tokens using a text-aligned codebook projected from a large language model's (LLM) vocabulary. By integrating vision and text into a unified space with an expanded vocabulary, our multimodal LLM, Tar, enables cross-modal input and output through a shared interface, without the need for modality-specific designs. Additionally, we propose scale-adaptive encoding and decoding to balance efficiency and visual detail, along with a generative de-tokenizer to produce high-fidelity visual outputs. To address diverse decoding needs, we utilize two complementary de-tokenizers: a fast autoregressive model and a diffusion-based model. To enhance modality fusion, we investigate advanced pre-training tasks, demonstrating improvements in both visual understanding and generation. Experiments across benchmarks show that Tar matches or surpasses existing multimodal LLM methods, achieving faster convergence and greater training efficiency. Code, models, and data are available at https://tar.csuhan.com
comment: Project page: https://tar.csuhan.com
☆ ReasonFlux-PRM: Trajectory-Aware PRMs for Long Chain-of-Thought Reasoning in LLMs
Process Reward Models (PRMs) have recently emerged as a powerful framework for supervising intermediate reasoning steps in large language models (LLMs). Previous PRMs are primarily trained on model final output responses and struggle to evaluate intermediate thinking trajectories robustly, especially in the emerging setting of trajectory-response outputs generated by frontier reasoning models like Deepseek-R1. In this work, we introduce ReasonFlux-PRM, a novel trajectory-aware PRM explicitly designed to evaluate the trajectory-response type of reasoning traces. ReasonFlux-PRM incorporates both step-level and trajectory-level supervision, enabling fine-grained reward assignment aligned with structured chain-of-thought data. We adapt ReasonFlux-PRM to support reward supervision under both offline and online settings, including (i) selecting high-quality model distillation data for downstream supervised fine-tuning of smaller models, (ii) providing dense process-level rewards for policy optimization during reinforcement learning, and (iii) enabling reward-guided Best-of-N test-time scaling. Empirical results on challenging downstream benchmarks such as AIME, MATH500, and GPQA-Diamond demonstrate that ReasonFlux-PRM-7B selects higher quality data than strong PRMs (e.g., Qwen2.5-Math-PRM-72B) and human-curated baselines. Furthermore, our derived ReasonFlux-PRM-7B yields consistent performance improvements, achieving average gains of 12.1% in supervised fine-tuning, 4.5% in reinforcement learning, and 6.3% in test-time scaling. We also release our efficient ReasonFlux-PRM-1.5B for resource-constrained applications and edge deployment. Projects: https://github.com/Gen-Verse/ReasonFlux
comment: Codes and Models: https://github.com/Gen-Verse/ReasonFlux
☆ OMEGA: Can LLMs Reason Outside the Box in Math? Evaluating Exploratory, Compositional, and Transformative Generalization
Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.
☆ CommVQ: Commutative Vector Quantization for KV Cache Compression ICML 2025
Large Language Models (LLMs) are increasingly used in applications requiring long context lengths, but the key-value (KV) cache often becomes a memory bottleneck on GPUs as context grows. To address this, we propose Commutative Vector Quantization (CommVQ) to significantly reduce memory usage for long-context LLM inference. We first introduce additive quantization with a lightweight encoder and codebook to compress the KV cache, which can be decoded via simple matrix multiplication. To further reduce computational costs during decoding, we design the codebook to be commutative with Rotary Position Embedding (RoPE) and train it using an Expectation-Maximization (EM) algorithm. This enables efficient integration of decoding into the self-attention mechanism. Our approach achieves high accuracy with additive quantization and low overhead via the RoPE-commutative codebook. Experiments on long-context benchmarks and GSM8K show that our method reduces FP16 KV cache size by 87.5% with 2-bit quantization, while outperforming state-of-the-art KV cache quantization methods. Notably, it enables 1-bit KV cache quantization with minimal accuracy loss, allowing a LLaMA-3.1 8B model to run with a 128K context length on a single RTX 4090 GPU. The source code is available at: https://github.com/UMass-Embodied-AGI/CommVQ.
comment: ICML 2025 poster
☆ OmniGen2: Exploration to Advanced Multimodal Generation
In this work, we introduce OmniGen2, a versatile and open-source generative model designed to provide a unified solution for diverse generation tasks, including text-to-image, image editing, and in-context generation. Unlike OmniGen v1, OmniGen2 features two distinct decoding pathways for text and image modalities, utilizing unshared parameters and a decoupled image tokenizer. This design enables OmniGen2 to build upon existing multimodal understanding models without the need to re-adapt VAE inputs, thereby preserving the original text generation capabilities. To facilitate the training of OmniGen2, we developed comprehensive data construction pipelines, encompassing image editing and in-context generation data. Additionally, we introduce a reflection mechanism tailored for image generation tasks and curate a dedicated reflection dataset based on OmniGen2. Despite its relatively modest parameter size, OmniGen2 achieves competitive results on multiple task benchmarks, including text-to-image and image editing. To further evaluate in-context generation, also referred to as subject-driven tasks, we introduce a new benchmark named OmniContext. OmniGen2 achieves state-of-the-art performance among open-source models in terms of consistency. We will release our models, training code, datasets, and data construction pipeline to support future research in this field. Project Page: https://vectorspacelab.github.io/OmniGen2; GitHub Link: https://github.com/VectorSpaceLab/OmniGen2
☆ Mechanistic Interpretability Needs Philosophy
Mechanistic interpretability (MI) aims to explain how neural networks work by uncovering their underlying causal mechanisms. As the field grows in influence, it is increasingly important to examine not just models themselves, but the assumptions, concepts and explanatory strategies implicit in MI research. We argue that mechanistic interpretability needs philosophy: not as an afterthought, but as an ongoing partner in clarifying its concepts, refining its methods, and assessing the epistemic and ethical stakes of interpreting AI systems. Taking three open problems from the MI literature as examples, this position paper illustrates the value philosophy can add to MI research, and outlines a path toward deeper interdisciplinary dialogue.
☆ USAD: Universal Speech and Audio Representation via Distillation
Self-supervised learning (SSL) has revolutionized audio representations, yet models often remain domain-specific, focusing on either speech or non-speech tasks. In this work, we present Universal Speech and Audio Distillation (USAD), a unified approach to audio representation learning that integrates diverse audio types - speech, sound, and music - into a single model. USAD employs efficient layer-to-layer distillation from domain-specific SSL models to train a student on a comprehensive audio dataset. USAD offers competitive performance across various benchmarks and datasets, including frame and instance-level speech processing tasks, audio tagging, and sound classification, achieving near state-of-the-art results with a single encoder on SUPERB and HEAR benchmarks.
comment: Preprint
☆ LongWriter-Zero: Mastering Ultra-Long Text Generation via Reinforcement Learning
Ultra-long generation by large language models (LLMs) is a widely demanded scenario, yet it remains a significant challenge due to their maximum generation length limit and overall quality degradation as sequence length increases. Previous approaches, exemplified by LongWriter, typically rely on ''teaching'', which involves supervised fine-tuning (SFT) on synthetic long-form outputs. However, this strategy heavily depends on synthetic SFT data, which is difficult and costly to construct, often lacks coherence and consistency, and tends to be overly artificial and structurally monotonous. In this work, we propose an incentivization-based approach that, starting entirely from scratch and without relying on any annotated or synthetic data, leverages reinforcement learning (RL) to foster the emergence of ultra-long, high-quality text generation capabilities in LLMs. We perform RL training starting from a base model, similar to R1-Zero, guiding it to engage in reasoning that facilitates planning and refinement during the writing process. To support this, we employ specialized reward models that steer the LLM towards improved length control, writing quality, and structural formatting. Experimental evaluations show that our LongWriter-Zero model, trained from Qwen2.5-32B, consistently outperforms traditional SFT methods on long-form writing tasks, achieving state-of-the-art results across all metrics on WritingBench and Arena-Write, and even surpassing 100B+ models such as DeepSeek R1 and Qwen3-235B. We open-source our data and model checkpoints under https://huggingface.co/THU-KEG/LongWriter-Zero-32B
☆ STU-PID: Steering Token Usage via PID Controller for Efficient Large Language Model Reasoning
Large Language Models employing extended chain-of-thought (CoT) reasoning often suffer from the overthinking phenomenon, generating excessive and redundant reasoning steps that increase computational costs while potentially degrading performance. While recent work has explored static steering approaches to mitigate this issue, they lack the adaptability to dynamically adjust intervention strength based on real-time reasoning quality. We propose STUPID (Steering Token Usage via PID controller), a novel training-free method that employs a PID controller to dynamically modulate activation steering strength during inference. Our approach combines a chunk-level classifier for detecting redundant reasoning patterns with a PID control mechanism that adaptively adjusts steering intensity based on the predicted redundancy probability. Experimental evaluation on GSM8K demonstrates that STUPID achieves a 6% improvement in accuracy while reducing token usage by 32%, outperforming static steering baselines. Our method provides a principled framework for dynamic reasoning calibration that maintains reasoning quality while significantly improving computational efficiency.
☆ MLLP-VRAIN UPV system for the IWSLT 2025 Simultaneous Speech Translation Translation task
This work describes the participation of the MLLP-VRAIN research group in the shared task of the IWSLT 2025 Simultaneous Speech Translation track. Our submission addresses the unique challenges of real-time translation of long-form speech by developing a modular cascade system that adapts strong pre-trained models to streaming scenarios. We combine Whisper Large-V3-Turbo for ASR with the multilingual NLLB-3.3B model for MT, implementing lightweight adaptation techniques rather than training new end-to-end models from scratch. Our approach employs document-level adaptation with prefix training to enhance the MT model's ability to handle incomplete inputs, while incorporating adaptive emission policies including a wait-$k$ strategy and RALCP for managing the translation stream. Specialized buffer management techniques and segmentation strategies ensure coherent translations across long audio sequences. Experimental results on the ACL60/60 dataset demonstrate that our system achieves a favorable balance between translation quality and latency, with a BLEU score of 31.96 and non-computational-aware StreamLAAL latency of 2.94 seconds. Our final model achieves a preliminary score on the official test set (IWSLT25Instruct) of 29.8 BLEU. Our work demonstrates that carefully adapted pre-trained components can create effective simultaneous translation systems for long-form content without requiring extensive in-domain parallel data or specialized end-to-end training.
comment: IWSLT 2025 System Description
☆ RWESummary: A Framework and Test for Choosing Large Language Models to Summarize Real-World Evidence (RWE) Studies
Large Language Models (LLMs) have been extensively evaluated for general summarization tasks as well as medical research assistance, but they have not been specifically evaluated for the task of summarizing real-world evidence (RWE) from structured output of RWE studies. We introduce RWESummary, a proposed addition to the MedHELM framework (Bedi, Cui, Fuentes, Unell et al., 2025) to enable benchmarking of LLMs for this task. RWESummary includes one scenario and three evaluations covering major types of errors observed in summarization of medical research studies and was developed using Atropos Health proprietary data. Additionally, we use RWESummary to compare the performance of different LLMs in our internal RWE summarization tool. At the time of publication, with 13 distinct RWE studies, we found the Gemini 2.5 models performed best overall (both Flash and Pro). We suggest RWESummary as a novel and useful foundation model benchmark for real-world evidence study summarization.
comment: 24 pages, 2 figures
☆ ConciseHint: Boosting Efficient Reasoning via Continuous Concise Hints during Generation
Recent advancements in large reasoning models (LRMs) like DeepSeek-R1 and OpenAI o1 series have achieved notable performance enhancements on complex reasoning tasks by scaling up the generation length by Chain-of-Thought (CoT). However, an emerging issue is their inclination to produce excessively verbose reasoning processes, leading to the inefficiency problem. Existing literature on improving efficiency mainly adheres to the before-reasoning paradigms such as prompting and reasoning or fine-tuning and reasoning, but ignores the promising direction of directly encouraging the model to speak concisely by intervening during the generation of reasoning. In order to fill the blank, we propose a framework dubbed ConciseHint, which continuously encourages the reasoning model to speak concisely by injecting the textual hint (manually designed or trained on the concise data) during the token generation of the reasoning process. Besides, ConciseHint is adaptive to the complexity of the query by adaptively adjusting the hint intensity, which ensures it will not undermine model performance. Experiments on the state-of-the-art LRMs, including DeepSeek-R1 and Qwen-3 series, demonstrate that our method can effectively produce concise reasoning processes while maintaining performance well. For instance, we achieve a reduction ratio of 65\% for the reasoning length on GSM8K benchmark with Qwen-3 4B with nearly no accuracy loss.
comment: Codes are available at https://github.com/tsa18/ConciseHint
☆ Existing LLMs Are Not Self-Consistent For Simple Tasks
Large Language Models (LLMs) have grown increasingly powerful, yet ensuring their decisions remain transparent and trustworthy requires self-consistency -- no contradictions in their internal reasoning. Our study reveals that even on simple tasks, such as comparing points on a line or a plane, or reasoning in a family tree, all smaller models are highly inconsistent, and even state-of-the-art models like DeepSeek-R1 and GPT-o4-mini are not fully self-consistent. To quantify and mitigate these inconsistencies, we introduce inconsistency metrics and propose two automated methods -- a graph-based and an energy-based approach. While these fixes provide partial improvements, they also highlight the complexity and importance of self-consistency in building more reliable and interpretable AI. The code and data are available at https://github.com/scorpio-nova/llm-self-consistency.
comment: 10 pages, 6 figures
☆ Programming by Backprop: LLMs Acquire Reusable Algorithmic Abstractions During Code Training
Training large language models (LLMs) on source code significantly enhances their general-purpose reasoning abilities, but the mechanisms underlying this generalisation are poorly understood. In this paper, we propose Programming by Backprop (PBB) as a potential driver of this effect - teaching a model to evaluate a program for inputs by training on its source code alone, without ever seeing I/O examples. To explore this idea, we finetune LLMs on two sets of programs representing simple maths problems and algorithms: one with source code and I/O examples (w/ IO), the other with source code only (w/o IO). We find evidence that LLMs have some ability to evaluate w/o IO programs for inputs in a range of experimental settings, and make several observations. Firstly, PBB works significantly better when programs are provided as code rather than semantically equivalent language descriptions. Secondly, LLMs can produce outputs for w/o IO programs directly, by implicitly evaluating the program within the forward pass, and more reliably when stepping through the program in-context via chain-of-thought. We further show that PBB leads to more robust evaluation of programs across inputs than training on I/O pairs drawn from a distribution that mirrors naturally occurring data. Our findings suggest a mechanism for enhanced reasoning through code training: it allows LLMs to internalise reusable algorithmic abstractions. Significant scope remains for future work to enable LLMs to more effectively learn from symbolic procedures, and progress in this direction opens other avenues like model alignment by training on formal constitutional principles.
☆ Neural Total Variation Distance Estimators for Changepoint Detection in News Data
Detecting when public discourse shifts in response to major events is crucial for understanding societal dynamics. Real-world data is high-dimensional, sparse, and noisy, making changepoint detection in this domain a challenging endeavor. In this paper, we leverage neural networks for changepoint detection in news data, introducing a method based on the so-called learning-by-confusion scheme, which was originally developed for detecting phase transitions in physical systems. We train classifiers to distinguish between articles from different time periods. The resulting classification accuracy is used to estimate the total variation distance between underlying content distributions, where significant distances highlight changepoints. We demonstrate the effectiveness of this method on both synthetic datasets and real-world data from The Guardian newspaper, successfully identifying major historical events including 9/11, the COVID-19 pandemic, and presidential elections. Our approach requires minimal domain knowledge, can autonomously discover significant shifts in public discourse, and yields a quantitative measure of change in content, making it valuable for journalism, policy analysis, and crisis monitoring.
comment: 16 pages, 3 figures
☆ Multi-modal Anchor Gated Transformer with Knowledge Distillation for Emotion Recognition in Conversation IJCAI2025
Emotion Recognition in Conversation (ERC) aims to detect the emotions of individual utterances within a conversation. Generating efficient and modality-specific representations for each utterance remains a significant challenge. Previous studies have proposed various models to integrate features extracted using different modality-specific encoders. However, they neglect the varying contributions of modalities to this task and introduce high complexity by aligning modalities at the frame level. To address these challenges, we propose the Multi-modal Anchor Gated Transformer with Knowledge Distillation (MAGTKD) for the ERC task. Specifically, prompt learning is employed to enhance textual modality representations, while knowledge distillation is utilized to strengthen representations of weaker modalities. Furthermore, we introduce a multi-modal anchor gated transformer to effectively integrate utterance-level representations across modalities. Extensive experiments on the IEMOCAP and MELD datasets demonstrate the effectiveness of knowledge distillation in enhancing modality representations and achieve state-of-the-art performance in emotion recognition. Our code is available at: https://github.com/JieLi-dd/MAGTKD.
comment: This paper has been accepted by IJCAI2025
☆ Benchmarking the Pedagogical Knowledge of Large Language Models
Benchmarks like Massive Multitask Language Understanding (MMLU) have played a pivotal role in evaluating AI's knowledge and abilities across diverse domains. However, existing benchmarks predominantly focus on content knowledge, leaving a critical gap in assessing models' understanding of pedagogy - the method and practice of teaching. This paper introduces The Pedagogy Benchmark, a novel dataset designed to evaluate large language models on their Cross-Domain Pedagogical Knowledge (CDPK) and Special Education Needs and Disability (SEND) pedagogical knowledge. These benchmarks are built on a carefully curated set of questions sourced from professional development exams for teachers, which cover a range of pedagogical subdomains such as teaching strategies and assessment methods. Here we outline the methodology and development of these benchmarks. We report results for 97 models, with accuracies spanning a range from 28% to 89% on the pedagogical knowledge questions. We consider the relationship between cost and accuracy and chart the progression of the Pareto value frontier over time. We provide online leaderboards at https://rebrand.ly/pedagogy which are updated with new models and allow interactive exploration and filtering based on various model properties, such as cost per token and open-vs-closed weights, as well as looking at performance in different subjects. LLMs and generative AI have tremendous potential to influence education and help to address the global learning crisis. Education-focused benchmarks are crucial to measure models' capacities to understand pedagogical concepts, respond appropriately to learners' needs, and support effective teaching practices across diverse contexts. They are needed for informing the responsible and evidence-based deployment of LLMs and LLM-based tools in educational settings, and for guiding both development and policy decisions.
☆ Context Biasing for Pronunciations-Orthography Mismatch in Automatic Speech Recognition
Neural sequence-to-sequence systems deliver state-of-the-art performance for automatic speech recognition. When using appropriate modeling units, e.g., byte-pair encoded characters, these systems are in principal open vocabulary systems. In practice, however, they often fail to recognize words not seen during training, e.g., named entities, acronyms, or domain-specific special words. To address this problem, many context biasing methods have been proposed; however, for words with a pronunciation-orthography mismatch, these methods may still struggle. We propose a method which allows corrections of substitution errors to improve the recognition accuracy of such challenging words. Users can add corrections on the fly during inference. We show that with this method we get a relative improvement in biased word error rate of up to 11\%, while maintaining a competitive overall word error rate.
☆ Is There a Case for Conversation Optimized Tokenizers in Large Language Models?
The computational and energy costs of Large Language Models (LLMs) have increased exponentially driven by the growing model sizes and the massive adoption of LLMs by hundreds of millions of users. The unit cost of an LLM is the computation of a token. Therefore, the tokenizer plays an important role in the efficiency of a model, and they are carefully optimized to minimize the number of tokens for the text in their training corpus. One of the most popular applications of LLMs are chatbots that interact with users. A key observation is that, for those chatbots, what is important is the performance of the tokenizer in the user text input and the chatbot responses. Those are most likely different from the text in the training corpus. So, a question that immediately arises is whether there is a potential benefit in optimizing tokenizers for chatbot conversations. In this paper, this idea is explored for different tokenizers by using a publicly available corpus of chatbot conversations to redesign their vocabularies and evaluate their performance in this domain. The results show that conversation-optimized tokenizers consistently reduce the number of tokens in chatbot dialogues, which can lead to meaningful energy savings, in the range of 5% to 10% while having minimal or even slightly positive impact on tokenization efficiency for the original training corpus.
☆ ByteSpan: Information-Driven Subword Tokenisation
Recent dynamic tokenisation methods operate directly on bytes and pool their latent representations into patches. This bears similarities to computational models of word segmentation that determine lexical boundaries using spikes in an autoregressive model's prediction error. Inspired by this connection, we explore whether grouping predictable bytes - rather than pooling their representations - can yield a useful fixed subword vocabulary. We propose a new information-driven subword tokeniser, ByteSpan, that uses an external byte-level LM during training to identify contiguous predictable byte sequences and group them into subwords. Experiments show that ByteSpan yields efficient vocabularies with higher morphological alignment scores than BPE for English. Multilingual experiments show similar compression and R\'enyi efficiency for 25 languages.
comment: Accepted to TokShop 2025 (Non-archival)
☆ ReDit: Reward Dithering for Improved LLM Policy Optimization
DeepSeek-R1 has successfully enhanced Large Language Model (LLM) reasoning capabilities through its rule-based reward system. While it's a ''perfect'' reward system that effectively mitigates reward hacking, such reward functions are often discrete. Our experimental observations suggest that discrete rewards can lead to gradient anomaly, unstable optimization, and slow convergence. To address this issue, we propose ReDit (Reward Dithering), a method that dithers the discrete reward signal by adding simple random noise. With this perturbed reward, exploratory gradients are continuously provided throughout the learning process, enabling smoother gradient updates and accelerating convergence. The injected noise also introduces stochasticity into flat reward regions, encouraging the model to explore novel policies and escape local optima. Experiments across diverse tasks demonstrate the effectiveness and efficiency of ReDit. On average, ReDit achieves performance comparable to vanilla GRPO with only approximately 10% the training steps, and furthermore, still exhibits a 4% performance improvement over vanilla GRPO when trained for a similar duration. Visualizations confirm significant mitigation of gradient issues with ReDit. Moreover, theoretical analyses are provided to further validate these advantages.
comment: 10 pages, 15 figures
☆ AggTruth: Contextual Hallucination Detection using Aggregated Attention Scores in LLMs
In real-world applications, Large Language Models (LLMs) often hallucinate, even in Retrieval-Augmented Generation (RAG) settings, which poses a significant challenge to their deployment. In this paper, we introduce AggTruth, a method for online detection of contextual hallucinations by analyzing the distribution of internal attention scores in the provided context (passage). Specifically, we propose four different variants of the method, each varying in the aggregation technique used to calculate attention scores. Across all LLMs examined, AggTruth demonstrated stable performance in both same-task and cross-task setups, outperforming the current SOTA in multiple scenarios. Furthermore, we conducted an in-depth analysis of feature selection techniques and examined how the number of selected attention heads impacts detection performance, demonstrating that careful selection of heads is essential to achieve optimal results.
comment: ICCS 2025 Workshops
☆ The Anatomy of Speech Persuasion: Linguistic Shifts in LLM-Modified Speeches
This study examines how large language models understand the concept of persuasiveness in public speaking by modifying speech transcripts from PhD candidates in the "Ma These en 180 Secondes" competition, using the 3MT French dataset. Our contributions include a novel methodology and an interpretable textual feature set integrating rhetorical devices and discourse markers. We prompt GPT-4o to enhance or diminish persuasiveness and analyze linguistic shifts between original and generated speech in terms of the new features. Results indicate that GPT-4o applies systematic stylistic modifications rather than optimizing persuasiveness in a human-like manner. Notably, it manipulates emotional lexicon and syntactic structures (such as interrogative and exclamatory clauses) to amplify rhetorical impact.
comment: Under submission to ICNLSP 2025. 9 pages, 2 tables
☆ Semantic similarity estimation for domain specific data using BERT and other techniques
Estimation of semantic similarity is an important research problem both in natural language processing and the natural language understanding, and that has tremendous application on various downstream tasks such as question answering, semantic search, information retrieval, document clustering, word-sense disambiguation and machine translation. In this work, we carry out the estimation of semantic similarity using different state-of-the-art techniques including the USE (Universal Sentence Encoder), InferSent and the most recent BERT, or Bidirectional Encoder Representations from Transformers, models. We use two question pairs datasets for the analysis, one is a domain specific in-house dataset and the other is a public dataset which is the Quora's question pairs dataset. We observe that the BERT model gave much superior performance as compared to the other methods. This should be because of the fine-tuning procedure that is involved in its training process, allowing it to learn patterns based on the training data that is used. This works demonstrates the applicability of BERT on domain specific datasets. We infer from the analysis that BERT is the best technique to use in the case of domain specific data.
comment: This is a preprint version of an article accepted for publication in the proceedings of Machine Learning and Data Mining 2019
☆ Reply to "Emergent LLM behaviors are observationally equivalent to data leakage"
A potential concern when simulating populations of large language models (LLMs) is data contamination, i.e. the possibility that training data may shape outcomes in unintended ways. While this concern is important and may hinder certain experiments with multi-agent models, it does not preclude the study of genuinely emergent dynamics in LLM populations. The recent critique by Barrie and T\"ornberg [1] of the results of Flint Ashery et al. [2] offers an opportunity to clarify that self-organisation and model-dependent emergent dynamics can be studied in LLM populations, highlighting how such dynamics have been empirically observed in the specific case of social conventions.
comment: Reply to arXiv:2505.23796
☆ No Training Wheels: Steering Vectors for Bias Correction at Inference Time
Neural network classifiers trained on datasets with uneven group representation often inherit class biases and learn spurious correlations. These models may perform well on average but consistently fail on atypical groups. For example, in hair color classification, datasets may over-represent females with blond hair, reinforcing stereotypes. Although various algorithmic and data-centric methods have been proposed to address such biases, they often require retraining or significant compute. In this work, we propose a cheap, training-free method inspired by steering vectors used to edit behaviors in large language models. We compute the difference in mean activations between majority and minority groups to define a "bias vector," which we subtract from the model's residual stream. This leads to reduced classification bias and improved worst-group accuracy. We explore multiple strategies for extracting and applying these vectors in transformer-like classifiers, showing that steering vectors, traditionally used in generative models, can also be effective in classification. More broadly, we showcase an extremely cheap, inference time, training free method to mitigate bias in classification models.
☆ Airalogy: AI-empowered universal data digitization for research automation
Research data are the foundation of Artificial Intelligence (AI)-driven science, yet current AI applications remain limited to a few fields with readily available, well-structured, digitized datasets. Achieving comprehensive AI empowerment across multiple disciplines is still out of reach. Present-day research data collection is often fragmented, lacking unified standards, inefficiently managed, and difficult to share. Creating a single platform for standardized data digitization needs to overcome the inherent challenge of balancing between universality (supporting the diverse, ever-evolving needs of various disciplines) and standardization (enforcing consistent formats to fully enable AI). No existing platform accommodates both facets. Building a truly multidisciplinary platform requires integrating scientific domain knowledge with sophisticated computing skills. Researchers often lack the computational expertise to design customized and standardized data recording methods, whereas platform developers rarely grasp the intricate needs of multiple scientific domains. These gaps impede research data standardization and hamper AI-driven progress. In this study, we address these challenges by developing Airalogy (https://airalogy.com), the world's first AI- and community-driven platform that balances universality and standardization for digitizing research data across multiple disciplines. Airalogy represents entire research workflows using customizable, standardized data records and offers an advanced AI research copilot for intelligent Q&A, automated data entry, analysis, and research automation. Already deployed in laboratories across all four schools of Westlake University, Airalogy has the potential to accelerate and automate scientific innovation in universities, industry, and the global research community-ultimately benefiting humanity as a whole.
comment: 146 pages, 6 figures, 49 supplementary figures
☆ Parallel Continuous Chain-of-Thought with Jacobi Iteration
Continuous chain-of-thought has been shown to be effective in saving reasoning tokens for large language models. By reasoning with continuous latent thought tokens, continuous CoT is able to perform implicit reasoning in a compact manner. However, the sequential dependencies between latent thought tokens spoil parallel training, leading to long training time. In this paper, we propose Parallel Continuous Chain-of-Thought (PCCoT), which performs Jacobi iteration on the latent thought tokens, updating them iteratively in parallel instead of sequentially and thus improving both training and inference efficiency of continuous CoT. Experiments demonstrate that by choosing the proper number of iterations, we are able to achieve comparable or even better performance while saving nearly 50% of the training and inference time. Moreover, PCCoT shows better stability and robustness in the training process. Our code is available at https://github.com/whyNLP/PCCoT.
comment: under review
☆ A Modular Taxonomy for Hate Speech Definitions and Its Impact on Zero-Shot LLM Classification Performance
Detecting harmful content is a crucial task in the landscape of NLP applications for Social Good, with hate speech being one of its most dangerous forms. But what do we mean by hate speech, how can we define it, and how does prompting different definitions of hate speech affect model performance? The contribution of this work is twofold. At the theoretical level, we address the ambiguity surrounding hate speech by collecting and analyzing existing definitions from the literature. We organize these definitions into a taxonomy of 14 Conceptual Elements-building blocks that capture different aspects of hate speech definitions, such as references to the target of hate (individual or groups) or of the potential consequences of it. At the experimental level, we employ the collection of definitions in a systematic zero-shot evaluation of three LLMs, on three hate speech datasets representing different types of data (synthetic, human-in-the-loop, and real-world). We find that choosing different definitions, i.e., definitions with a different degree of specificity in terms of encoded elements, impacts model performance, but this effect is not consistent across all architectures.
☆ When Fine-Tuning Fails: Lessons from MS MARCO Passage Ranking
This paper investigates the counterintuitive phenomenon where fine-tuning pre-trained transformer models degrades performance on the MS MARCO passage ranking task. Through comprehensive experiments involving five model variants-including full parameter fine-tuning and parameter efficient LoRA adaptations-we demonstrate that all fine-tuning approaches underperform the base sentence-transformers/all- MiniLM-L6-v2 model (MRR@10: 0.3026). Our analysis reveals that fine-tuning disrupts the optimal embedding space structure learned during the base model's extensive pre-training on 1 billion sentence pairs, including 9.1 million MS MARCO samples. UMAP visualizations show progressive embedding space flattening, while training dynamics analysis and computational efficiency metrics further support our findings. These results challenge conventional wisdom about transfer learning effectiveness on saturated benchmarks and suggest architectural innovations may be necessary for meaningful improvements.
☆ End-to-End Spoken Grammatical Error Correction
Grammatical Error Correction (GEC) and feedback play a vital role in supporting second language (L2) learners, educators, and examiners. While written GEC is well-established, spoken GEC (SGEC), aiming to provide feedback based on learners' speech, poses additional challenges due to disfluencies, transcription errors, and the lack of structured input. SGEC systems typically follow a cascaded pipeline consisting of Automatic Speech Recognition (ASR), disfluency detection, and GEC, making them vulnerable to error propagation across modules. This work examines an End-to-End (E2E) framework for SGEC and feedback generation, highlighting challenges and possible solutions when developing these systems. Cascaded, partial-cascaded and E2E architectures are compared, all built on the Whisper foundation model. A challenge for E2E systems is the scarcity of GEC labeled spoken data. To address this, an automatic pseudo-labeling framework is examined, increasing the training data from 77 to over 2500 hours. To improve the accuracy of the SGEC system, additional contextual information, exploiting the ASR output, is investigated. Candidate feedback of their mistakes is an essential step to improving performance. In E2E systems the SGEC output must be compared with an estimate of the fluent transcription to obtain the feedback. To improve the precision of this feedback, a novel reference alignment process is proposed that aims to remove hypothesised edits that results from fluent transcription errors. Finally, these approaches are combined with an edit confidence estimation approach, to exclude low-confidence edits. Experiments on the in-house Linguaskill (LNG) corpora and the publicly available Speak & Improve (S&I) corpus show that the proposed approaches significantly boost E2E SGEC performance.
comment: This work has been submitted to the IEEE for possible publication
☆ Smooth Operators: LLMs Translating Imperfect Hints into Disfluency-Rich Transcripts
Accurate detection of disfluencies in spoken language is crucial for enhancing the performance of automatic speech and language processing systems, as well as fostering the development of more inclusive speech and language technologies. Leveraging the growing trend of large language models (LLMs) as versatile learners capable of processing both lexical and non-lexical inputs (e.g., audio and video), we propose a novel approach to transcribing disfluencies as explicit tokens with timestamps, enabling the generation of fully annotated disfluency-rich transcripts. Our method integrates acoustic representations extracted from an audio encoder with textual inputs of varying quality: clean transcriptions without disfluencies, time-aligned transcriptions from aligners, or outputs from phoneme-based ASR models -- all of which may contain imperfections. Importantly, our experiments demonstrate that textual inputs do not need to be flawless. As long as they include timestamp-related cues, LLMs can effectively smooth the input and produce fully disfluency-annotated transcripts, underscoring their robustness in handling imperfect hints.
comment: Accepted to INTERSPEECH2025 workshop DISS2025
☆ Comparative Evaluation of ChatGPT and DeepSeek Across Key NLP Tasks: Strengths, Weaknesses, and Domain-Specific Performance
The increasing use of large language models (LLMs) in natural language processing (NLP) tasks has sparked significant interest in evaluating their effectiveness across diverse applications. While models like ChatGPT and DeepSeek have shown strong results in many NLP domains, a comprehensive evaluation is needed to understand their strengths, weaknesses, and domain-specific abilities. This is critical as these models are applied to various tasks, from sentiment analysis to more nuanced tasks like textual entailment and translation. This study aims to evaluate ChatGPT and DeepSeek across five key NLP tasks: sentiment analysis, topic classification, text summarization, machine translation, and textual entailment. A structured experimental protocol is used to ensure fairness and minimize variability. Both models are tested with identical, neutral prompts and evaluated on two benchmark datasets per task, covering domains like news, reviews, and formal/informal texts. The results show that DeepSeek excels in classification stability and logical reasoning, while ChatGPT performs better in tasks requiring nuanced understanding and flexibility. These findings provide valuable insights for selecting the appropriate LLM based on task requirements.
☆ AI-Generated Song Detection via Lyrics Transcripts
The recent rise in capabilities of AI-based music generation tools has created an upheaval in the music industry, necessitating the creation of accurate methods to detect such AI-generated content. This can be done using audio-based detectors; however, it has been shown that they struggle to generalize to unseen generators or when the audio is perturbed. Furthermore, recent work used accurate and cleanly formatted lyrics sourced from a lyrics provider database to detect AI-generated music. However, in practice, such perfect lyrics are not available (only the audio is); this leaves a substantial gap in applicability in real-life use cases. In this work, we instead propose solving this gap by transcribing songs using general automatic speech recognition (ASR) models. We do this using several detectors. The results on diverse, multi-genre, and multi-lingual lyrics show generally strong detection performance across languages and genres, particularly for our best-performing model using Whisper large-v2 and LLM2Vec embeddings. In addition, we show that our method is more robust than state-of-the-art audio-based ones when the audio is perturbed in different ways and when evaluated on different music generators. Our code is available at https://github.com/deezer/robust-AI-lyrics-detection.
comment: Accepted to ISMIR 2025
☆ MeRF: Motivation-enhanced Reinforcement Finetuning for Large Reasoning Models
Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a powerful learn-to-reason paradigm for Large Language Models (LLMs) to tackle complex reasoning tasks. However, existing RLVR methods overlook one of the most distinctive capabilities of LLMs, their in-context learning ability, as prominently demonstrated by the success of Chain-of-Thought (CoT) prompting. This motivates us to explore how reinforcement learning can be effectively combined with in-context learning to better improve the reasoning capabilities of LLMs. In this paper, we introduce Motivation-enhanced Reinforcement Finetuning} (MeRF), an intuitive yet effective method enhancing reinforcement learning of LLMs by involving ``telling LLMs the rules of the game''. Specifically, MeRF directly injects the reward specification into the prompt, which serves as an in-context motivation for model to improve its responses with awareness of the optimization objective. This simple modification leverages the in-context learning ability of LLMs aligning generation with optimization, thereby incentivizing the model to generate desired outputs from both inner motivation and external reward. Empirical evaluations on the Knights and Knaves~(K&K) logic puzzle reasoning benchmark demonstrate that \texttt{MeRF} achieves substantial performance gains over baselines. Moreover, ablation studies show that performance improves with greater consistency between the in-context motivation and the external reward function, while the model also demonstrates an ability to adapt to misleading motivations through reinforcement learning.
☆ TReB: A Comprehensive Benchmark for Evaluating Table Reasoning Capabilities of Large Language Models
The majority of data in businesses and industries is stored in tables, databases, and data warehouses. Reasoning with table-structured data poses significant challenges for large language models (LLMs) due to its hidden semantics, inherent complexity, and structured nature. One of these challenges is lacking an effective evaluation benchmark fairly reflecting the performances of LLMs on broad table reasoning abilities. In this paper, we fill in this gap, presenting a comprehensive table reasoning evolution benchmark, TReB, which measures both shallow table understanding abilities and deep table reasoning abilities, a total of 26 sub-tasks. We construct a high quality dataset through an iterative data processing procedure. We create an evaluation framework to robustly measure table reasoning capabilities with three distinct inference modes, TCoT, PoT and ICoT. Further, we benchmark over 20 state-of-the-art LLMs using this frame work and prove its effectiveness. Experimental results reveal that existing LLMs still have significant room for improvement in addressing the complex and real world Table related tasks. Both the dataset and evaluation framework are publicly available, with the dataset hosted on [HuggingFace] and the framework on [GitHub].
comment: Benmark report v1.0
☆ Lemmatization as a Classification Task: Results from Arabic across Multiple Genres
Lemmatization is crucial for NLP tasks in morphologically rich languages with ambiguous orthography like Arabic, but existing tools face challenges due to inconsistent standards and limited genre coverage. This paper introduces two novel approaches that frame lemmatization as classification into a Lemma-POS-Gloss (LPG) tagset, leveraging machine translation and semantic clustering. We also present a new Arabic lemmatization test set covering diverse genres, standardized alongside existing datasets. We evaluate character level sequence-to-sequence models, which perform competitively and offer complementary value, but are limited to lemma prediction (not LPG) and prone to hallucinating implausible forms. Our results show that classification and clustering yield more robust, interpretable outputs, setting new benchmarks for Arabic lemmatization.
☆ Evaluating Causal Explanation in Medical Reports with LLM-Based and Human-Aligned Metrics
This study investigates how accurately different evaluation metrics capture the quality of causal explanations in automatically generated diagnostic reports. We compare six metrics: BERTScore, Cosine Similarity, BioSentVec, GPT-White, GPT-Black, and expert qualitative assessment across two input types: observation-based and multiple-choice-based report generation. Two weighting strategies are applied: one reflecting task-specific priorities, and the other assigning equal weights to all metrics. Our results show that GPT-Black demonstrates the strongest discriminative power in identifying logically coherent and clinically valid causal narratives. GPT-White also aligns well with expert evaluations, while similarity-based metrics diverge from clinical reasoning quality. These findings emphasize the impact of metric selection and weighting on evaluation outcomes, supporting the use of LLM-based evaluation for tasks requiring interpretability and causal reasoning.
comment: 9 pages, presented at LLM4Eval Workshop, SIGIR 2025 Padova, Italy, July 17, 2025
☆ SlimMoE: Structured Compression of Large MoE Models via Expert Slimming and Distillation
The Mixture of Experts (MoE) architecture has emerged as a powerful paradigm for scaling large language models (LLMs) while maintaining inference efficiency. However, their enormous memory requirements make them prohibitively expensive to fine-tune or deploy in resource-constrained environments. To address this challenge, we introduce SlimMoE, a multi-stage compression framework for transforming large MoE models into much smaller, efficient variants without incurring the prohibitive costs of training from scratch. Our method systematically reduces parameter counts by slimming experts and transferring knowledge through intermediate stages, effectively mitigating the performance degradation common in one-shot pruning approaches. Using this framework, we compress Phi 3.5-MoE (41.9B total/6.6B activated parameters) to create Phi-mini-MoE (7.6B total/2.4B activated parameters) and Phi-tiny-MoE (3.8B total/1.1B activated parameters) using only 400B tokens--less than 10% of the original model's training data. These compressed models can be fine-tuned on a single GPU (A100 for Phi-mini-MoE, A6000 for Phi-tiny-MoE), making them highly suitable for academic and resource-limited settings. Our experiments demonstrate that these compressed models outperform others of similar size and remain competitive with larger models. For instance, Phi-mini-MoE achieves similar or better performance to Phi-3-mini using only 2/3 of the activated parameters and yields comparable MMLU scores to Llama 3.1 8B despite having significantly lower latency. Our findings demonstrate that structured pruning combined with staged distillation offers an effective path to creating high-quality, compact MoE models, paving the way for broader adoption of MoE architectures. We make our models publicly available at https://huggingface.co/microsoft/Phi-mini-MoE-instruct and https://huggingface.co/microsoft/Phi-tiny-MoE-instruct .
☆ Less Data Less Tokens: Multilingual Unification Learning for Efficient Test-Time Reasoning in LLMs
This paper explores the challenges of test-time scaling of large language models (LLMs), regarding both the data and inference efficiency. We highlight the diversity of multi-lingual reasoning based on our pilot studies, and then introduce a novel approach, \(L^2\) multi-lingual unification learning with a decoding intervention strategy for further investigation. The basic idea of \(L^2\) is that the reasoning process varies across different languages, which may be mutually beneficial to enhance both model performance and efficiency. In specific, there are two types of multi-lingual data: the entire long chain-of-thought annotations in different languages and the step-wise mixture of languages. By further tuning based on them, we show that even small amounts of data can significantly improve reasoning capabilities. Our findings suggest that multilingual learning reduces both the required data and the number of inference tokens while maintaining a comparable performance. Furthermore, \(L^2\) is orthogonal to other data efficient methods. Thus, we also emphasize the importance of diverse data selection. The \(L^2\) method offers a promising solution to the challenges of data collection and test-time compute efficiency in LLMs.
☆ TranslationCorrect: A Unified Framework for Machine Translation Post-Editing with Predictive Error Assistance
Machine translation (MT) post-editing and research data collection often rely on inefficient, disconnected workflows. We introduce TranslationCorrect, an integrated framework designed to streamline these tasks. TranslationCorrect combines MT generation using models like NLLB, automated error prediction using models like XCOMET or LLM APIs (providing detailed reasoning), and an intuitive post-editing interface within a single environment. Built with human-computer interaction (HCI) principles in mind to minimize cognitive load, as confirmed by a user study. For translators, it enables them to correct errors and batch translate efficiently. For researchers, TranslationCorrect exports high-quality span-based annotations in the Error Span Annotation (ESA) format, using an error taxonomy inspired by Multidimensional Quality Metrics (MQM). These outputs are compatible with state-of-the-art error detection models and suitable for training MT or post-editing systems. Our user study confirms that TranslationCorrect significantly improves translation efficiency and user satisfaction over traditional annotation methods.
comment: Preprint
☆ Confucius3-Math: A Lightweight High-Performance Reasoning LLM for Chinese K-12 Mathematics Learning
We introduce Confucius3-Math, an open-source large language model with 14B parameters that (1) runs efficiently on a single consumer-grade GPU; (2) achieves SOTA performances on a range of mathematical reasoning tasks, outperforming many models with significantly larger sizes. In particular, as part of our mission to enhancing education and knowledge dissemination with AI, Confucius3-Math is specifically committed to mathematics learning for Chinese K-12 students and educators. Built via post-training with large-scale reinforcement learning (RL), Confucius3-Math aligns with national curriculum and excels at solving main-stream Chinese K-12 mathematical problems with low cost. In this report we share our development recipe, the challenges we encounter and the techniques we develop to overcome them. In particular, we introduce three technical innovations: Targeted Entropy Regularization, Recent Sample Recovery and Policy-Specific Hardness Weighting. These innovations encompass a new entropy regularization, a novel data scheduling policy, and an improved group-relative advantage estimator. Collectively, they significantly stabilize the RL training, improve data efficiency, and boost performance. Our work demonstrates the feasibility of building strong reasoning models in a particular domain at low cost. We open-source our model and code at https://github.com/netease-youdao/Confucius3-Math.
☆ Enhancing Entity Aware Machine Translation with Multi-task Learning
Entity-aware machine translation (EAMT) is a complicated task in natural language processing due to not only the shortage of translation data related to the entities needed to translate but also the complexity in the context needed to process while translating those entities. In this paper, we propose a method that applies multi-task learning to optimize the performance of the two subtasks named entity recognition and machine translation, which improves the final performance of the Entity-aware machine translation task. The result and analysis are performed on the dataset provided by the organizer of Task 2 of the SemEval 2025 competition.
comment: In the Proceedings of SCIDOCA 2025
☆ Team LA at SCIDOCA shared task 2025: Citation Discovery via relation-based zero-shot retrieval
The Citation Discovery Shared Task focuses on predicting the correct citation from a given candidate pool for a given paragraph. The main challenges stem from the length of the abstract paragraphs and the high similarity among candidate abstracts, making it difficult to determine the exact paper to cite. To address this, we develop a system that first retrieves the top-k most similar abstracts based on extracted relational features from the given paragraph. From this subset, we leverage a Large Language Model (LLM) to accurately identify the most relevant citation. We evaluate our framework on the training dataset provided by the SCIDOCA 2025 organizers, demonstrating its effectiveness in citation prediction.
comment: In the Proceedings of SCIDOCA 2025
☆ Enhancing Document Retrieval in COVID-19 Research: Leveraging Large Language Models for Hidden Relation Extraction
In recent years, with the appearance of the COVID-19 pandemic, numerous publications relevant to this disease have been issued. Because of the massive volume of publications, an efficient retrieval system is necessary to provide researchers with useful information if an unexpected pandemic happens so suddenly, like COVID-19. In this work, we present a method to help the retrieval system, the Covrelex-SE system, to provide more high-quality search results. We exploited the power of the large language models (LLMs) to extract the hidden relationships inside the unlabeled publication that cannot be found by the current parsing tools that the system is using. Since then, help the system to have more useful information during retrieval progress.
comment: In the Proceedings of SCIDOCA 2024
☆ RLPR: Extrapolating RLVR to General Domains without Verifiers
Reinforcement Learning with Verifiable Rewards (RLVR) demonstrates promising potential in advancing the reasoning capabilities of LLMs. However, its success remains largely confined to mathematical and code domains. This primary limitation stems from the heavy reliance on domain-specific verifiers, which results in prohibitive complexity and limited scalability. To address the challenge, our key observation is that LLM's intrinsic probability of generating a correct free-form answer directly indicates its own evaluation of the reasoning reward (i.e., how well the reasoning process leads to the correct answer). Building on this insight, we propose RLPR, a simple verifier-free framework that extrapolates RLVR to broader general domains. RLPR uses the LLM's own token probability scores for reference answers as the reward signal and maximizes the expected reward during training. We find that addressing the high variance of this noisy probability reward is crucial to make it work, and propose prob-to-reward and stabilizing methods to ensure a precise and stable reward from LLM intrinsic probabilities. Comprehensive experiments in four general-domain benchmarks and three mathematical benchmarks show that RLPR consistently improves reasoning capabilities in both areas for Gemma, Llama, and Qwen based models. Notably, RLPR outperforms concurrent VeriFree by 7.6 points on TheoremQA and 7.5 points on Minerva, and even surpasses strong verifier-model-dependent approaches General-Reasoner by 1.6 average points across seven benchmarks.
comment: Project Website: https://github.com/openbmb/RLPR
☆ AdapThink: Adaptive Thinking Preferences for Reasoning Language Model
Reinforcement Learning (RL)-based post-training has significantly advanced the complex reasoning capabilities of language models, fostering sophisticated self-reflection processes. However, this ``slow thinking'' paradigm presents a critical challenge to reasoning efficiency: models may expend excessive computation on simple questions and shift reasoning prematurely for complex ones. Previous mechanisms typically rely on static length budgets or predefined rules, lacking the adaptability for varying question complexities and models' evolving capabilities. To this end, we propose AdapThink, an adaptive post-training framework designed to induce more efficient thinking while maintaining the performance of reasoning language models. Specifically, AdapThink incorporates two key mechanisms: 1) A group-relative reward function that leverages model confidence and response's characteristic to dynamically adjust the preference of reflection-related transition words without resorting to a fixed length preference. 2) A diversity-aware sampling mechanism that balances the training group's solution accuracy with reasoning diversity via an entropy-guided score. Experiments on several mathematical reasoning datasets with DeepSeek-distilled models demonstrate AdapThink's advantages in enabling adaptive reasoning patterns and mitigating the inefficiencies.
☆ Bayesian Evolutionary Swarm Architecture: A Formal Epistemic System Grounded in Truth-Based Competition
We introduce a mathematically rigorous framework for an artificial intelligence system composed of probabilistic agents evolving through structured competition and belief revision. The architecture, grounded in Bayesian inference, measure theory, and population dynamics, defines agent fitness as a function of alignment with a fixed external oracle representing ground truth. Agents compete in a discrete-time environment, adjusting posterior beliefs through observed outcomes, with higher-rated agents reproducing and lower-rated agents undergoing extinction. Ratings are updated via pairwise truth-aligned utility comparisons, and belief updates preserve measurable consistency and stochastic convergence. We introduce hash-based cryptographic identity commitments to ensure traceability, alongside causal inference operators using do-calculus. Formal theorems on convergence, robustness, and evolutionary stability are provided. The system establishes truth as an evolutionary attractor, demonstrating that verifiable knowledge arises from adversarial epistemic pressure within a computable, self-regulating swarm.
comment: 83 pages, 14 sections, 92 formal results, no prior conference publication
☆ Prompt, Translate, Fine-Tune, Re-Initialize, or Instruction-Tune? Adapting LLMs for In-Context Learning in Low-Resource Languages ACL
LLMs are typically trained in high-resource languages, and tasks in lower-resourced languages tend to underperform the higher-resource language counterparts for in-context learning. Despite the large body of work on prompting settings, it is still unclear how LLMs should be adapted cross-lingually specifically for in-context learning in the low-resource target languages. We perform a comprehensive study spanning five diverse target languages, three base LLMs, and seven downstream tasks spanning over 4,100 GPU training hours (9,900+ TFLOPs) across various adaptation techniques: few-shot prompting, translate-test, fine-tuning, embedding re-initialization, and instruction fine-tuning. Our results show that the few-shot prompting and translate-test settings tend to heavily outperform the gradient-based adaptation methods. To better understand this discrepancy, we design a novel metric, Valid Output Recall (VOR), and analyze model outputs to empirically attribute the degradation of these trained models to catastrophic forgetting. To the extent of our knowledge, this is the largest study done on in-context learning for low-resource languages with respect to train compute and number of adaptation techniques considered. We make all our datasets and trained models available for public use.
comment: Accepted to ACL GEM 2025
☆ Enhanced Hybrid Transducer and Attention Encoder Decoder with Text Data
A joint speech and text optimization method is proposed for hybrid transducer and attention-based encoder decoder (TAED) modeling to leverage large amounts of text corpus and enhance ASR accuracy. The joint TAED (J-TAED) is trained with both speech and text input modalities together, while it only takes speech data as input during inference. The trained model can unify the internal representations from different modalities, and be further extended to text-based domain adaptation. It can effectively alleviate data scarcity for mismatch domain tasks since no speech data is required. Our experiments show J-TAED successfully integrates speech and linguistic information into one model, and reduce the WER by 5.8 ~12.8% on the Librispeech dataset. The model is also evaluated on two out-of-domain datasets: one is finance and another is named entity focused. The text-based domain adaptation brings 15.3% and 17.8% WER reduction on those two datasets respectively.
comment: Accepted by Interspeech2025
☆ Thought Anchors: Which LLM Reasoning Steps Matter?
Reasoning large language models have recently achieved state-of-the-art performance in many fields. However, their long-form chain-of-thought reasoning creates interpretability challenges as each generated token depends on all previous ones, making the computation harder to decompose. We argue that analyzing reasoning traces at the sentence level is a promising approach to understanding reasoning processes. We present three complementary attribution methods: (1) a black-box method measuring each sentence's counterfactual importance by comparing final answers across 100 rollouts conditioned on the model generating that sentence or one with a different meaning; (2) a white-box method of aggregating attention patterns between pairs of sentences, which identified ``broadcasting'' sentences that receive disproportionate attention from all future sentences via ``receiver'' attention heads; (3) a causal attribution method measuring logical connections between sentences by suppressing attention toward one sentence and measuring the effect on each future sentence's tokens. Each method provides evidence for the existence of thought anchors, reasoning steps that have outsized importance and that disproportionately influence the subsequent reasoning process. These thought anchors are typically planning or backtracking sentences. We provide an open-source tool (www.thought-anchors.com) for visualizing the outputs of our methods, and present a case study showing converging patterns across methods that map how a model performs multi-step reasoning. The consistency across methods demonstrates the potential of sentence-level analysis for a deeper understanding of reasoning models.
comment: Paul C. Bogdan and Uzay Macar contributed equally to this work, and their listed order was determined by coinflip. Neel Nanda and Arthur Conmy contributed equally to this work as senior authors, and their listed order was determined by coinflip
☆ Human-Aligned Faithfulness in Toxicity Explanations of LLMs
The discourse around toxicity and LLMs in NLP largely revolves around detection tasks. This work shifts the focus to evaluating LLMs' reasoning about toxicity -- from their explanations that justify a stance -- to enhance their trustworthiness in downstream tasks. Despite extensive research on explainability, it is not straightforward to adopt existing methods to evaluate free-form toxicity explanation due to their over-reliance on input text perturbations, among other challenges. To account for these, we propose a novel, theoretically-grounded multi-dimensional criterion, Human-Aligned Faithfulness (HAF), that measures the extent to which LLMs' free-form toxicity explanations align with those of a rational human under ideal conditions. We develop six metrics, based on uncertainty quantification, to comprehensively evaluate \haf of LLMs' toxicity explanations with no human involvement, and highlight how "non-ideal" the explanations are. We conduct several experiments on three Llama models (of size up to 70B) and an 8B Ministral model on five diverse toxicity datasets. Our results show that while LLMs generate plausible explanations to simple prompts, their reasoning about toxicity breaks down when prompted about the nuanced relations between the complete set of reasons, the individual reasons, and their toxicity stances, resulting in inconsistent and nonsensical responses. We open-source our code and LLM-generated explanations at https://github.com/uofthcdslab/HAF.
comment: 21 pages, 5 figures, 7 tables
☆ Language Models Might Not Understand You: Evaluating Theory of Mind via Story Prompting
We introduce $\texttt{StorySim}$, a programmable framework for synthetically generating stories to evaluate the theory of mind (ToM) and world modeling (WM) capabilities of large language models (LLMs). Unlike prior benchmarks that may suffer from contamination in pretraining data, $\texttt{StorySim}$ produces novel, compositional story prompts anchored by a highly controllable $\texttt{Storyboard}$, enabling precise manipulation of character perspectives and events. We use this framework to design first- and second-order ToM tasks alongside WM tasks that control for the ability to track and model mental states. Our experiments across a suite of state-of-the-art LLMs reveal that most models perform better on WM tasks than ToM tasks, and that models tend to perform better reasoning with humans compared to inanimate objects. Additionally, our framework enabled us to find evidence of heuristic behavior such as recency bias and an over-reliance on earlier events in the story. All code for generating data and evaluations is freely available.
comment: 14 pages, 11 figures
☆ MFTCXplain: A Multilingual Benchmark Dataset for Evaluating the Moral Reasoning of LLMs through Hate Speech Multi-hop Explanation
Ensuring the moral reasoning capabilities of Large Language Models (LLMs) is a growing concern as these systems are used in socially sensitive tasks. Nevertheless, current evaluation benchmarks present two major shortcomings: a lack of annotations that justify moral classifications, which limits transparency and interpretability; and a predominant focus on English, which constrains the assessment of moral reasoning across diverse cultural settings. In this paper, we introduce MFTCXplain, a multilingual benchmark dataset for evaluating the moral reasoning of LLMs via hate speech multi-hop explanation using Moral Foundation Theory (MFT). The dataset comprises 3,000 tweets across Portuguese, Italian, Persian, and English, annotated with binary hate speech labels, moral categories, and text span-level rationales. Empirical results highlight a misalignment between LLM outputs and human annotations in moral reasoning tasks. While LLMs perform well in hate speech detection (F1 up to 0.836), their ability to predict moral sentiments is notably weak (F1 < 0.35). Furthermore, rationale alignment remains limited mainly in underrepresented languages. These findings show the limited capacity of current LLMs to internalize and reflect human moral reasoning.
comment: Under Review
☆ HAWAII: Hierarchical Visual Knowledge Transfer for Efficient Vision-Language Models
Improving the visual understanding ability of vision-language models (VLMs) is crucial for enhancing their performance across various tasks. While using multiple pretrained visual experts has shown great promise, it often incurs significant computational costs during training and inference. To address this challenge, we propose HAWAII, a novel framework that distills knowledge from multiple visual experts into a single vision encoder, enabling it to inherit the complementary strengths of several experts with minimal computational overhead. To mitigate conflicts among different teachers and switch between different teacher-specific knowledge, instead of using a fixed set of adapters for multiple teachers, we propose to use teacher-specific Low-Rank Adaptation (LoRA) adapters with a corresponding router. Each adapter is aligned with a specific teacher, avoiding noisy guidance during distillation. To enable efficient knowledge distillation, we propose fine-grained and coarse-grained distillation. At the fine-grained level, token importance scores are employed to emphasize the most informative tokens from each teacher adaptively. At the coarse-grained level, we summarize the knowledge from multiple teachers and transfer it to the student using a set of general-knowledge LoRA adapters with a router. Extensive experiments on various vision-language tasks demonstrate the superiority of HAWAII, compared to the popular open-source VLMs.
comment: Work in progress
☆ NLPnorth @ TalentCLEF 2025: Comparing Discriminative, Contrastive, and Prompt-Based Methods for Job Title and Skill Matching
Matching job titles is a highly relevant task in the computational job market domain, as it improves e.g., automatic candidate matching, career path prediction, and job market analysis. Furthermore, aligning job titles to job skills can be considered an extension to this task, with similar relevance for the same downstream tasks. In this report, we outline NLPnorth's submission to TalentCLEF 2025, which includes both of these tasks: Multilingual Job Title Matching, and Job Title-Based Skill Prediction. For both tasks we compare (fine-tuned) classification-based, (fine-tuned) contrastive-based, and prompting methods. We observe that for Task A, our prompting approach performs best with an average of 0.492 mean average precision (MAP) on test data, averaged over English, Spanish, and German. For Task B, we obtain an MAP of 0.290 on test data with our fine-tuned classification-based approach. Additionally, we made use of extra data by pulling all the language-specific titles and corresponding \emph{descriptions} from ESCO for each job and skill. Overall, we find that the largest multilingual language models perform best for both tasks. Per the provisional results and only counting the unique teams, the ranking on Task A is 5$^{\text{th}}$/20 and for Task B 3$^{\text{rd}}$/14.
comment: TalentCLEF 2025
☆ Plan for Speed -- Dilated Scheduling for Masked Diffusion Language Models
Masked diffusion language models (MDLM) have shown strong promise for non-autoregressive text generation, yet existing samplers act as implicit planners, selecting tokens to unmask via denoiser confidence or entropy scores. Such heuristics falter under parallel unmasking - they ignore pairwise interactions between tokens and cannot account for dependencies when unmasking multiple positions at once, limiting their inference time to traditional auto-regressive (AR) models. We introduce the Dilated-scheduled Unmasking Strategy (DUS), an inference-only, planner-model-free method that requires no additional training. DUS leverages a first-order Markov assumption to partition sequence positions into dilation-based groups of non-adjacent tokens, enabling independent, parallel unmasking steps that respect local context that minimizes the joint entropy of each iteration step. Unlike semi-AR block approaches (e.g., LLADA and Dream) that still invoke the denoiser per block, DUS reduces the number of denoiser calls to O(log B) per generation block - yielding substantial speedup over the O(B) run time of state-of-the-art diffusion models, where B is the block size in the semi-AR inference process. In experiments on math (GSM8K) and code completion (Humaneval, MBPP) benchmarks - domains suited to non-ordinal generation - DUS improves scores over parallel confidence-based planner, without modifying the underlying denoiser. DUS offers a lightweight, budget-aware approach to efficient, high-quality text generation, paving the way to unlock the true capabilities of MDLMs.
☆ Quantifying Fairness in LLMs Beyond Tokens: A Semantic and Statistical Perspective
Large Language Models (LLMs) often generate responses with inherent biases, undermining their reliability in real-world applications. Existing evaluation methods often overlook biases in long-form responses and the intrinsic variability of LLM outputs. To address these challenges, we propose FiSCo(Fine-grained Semantic Computation), a novel statistical framework to evaluate group-level fairness in LLMs by detecting subtle semantic differences in long-form responses across demographic groups. Unlike prior work focusing on sentiment or token-level comparisons, FiSCo goes beyond surface-level analysis by operating at the claim level, leveraging entailment checks to assess the consistency of meaning across responses. We decompose model outputs into semantically distinct claims and apply statistical hypothesis testing to compare inter- and intra-group similarities, enabling robust detection of subtle biases. We formalize a new group counterfactual fairness definition and validate FiSCo on both synthetic and human-annotated datasets spanning gender, race, and age. Experiments show that FiSco more reliably identifies nuanced biases while reducing the impact of stochastic LLM variability, outperforming various evaluation metrics.
comment: 29 pages, 9 figures, 15 tables
♻ ☆ EMULATE: A Multi-Agent Framework for Determining the Veracity of Atomic Claims by Emulating Human Actions ACL 2025
Determining the veracity of atomic claims is an imperative component of many recently proposed fact-checking systems. Many approaches tackle this problem by first retrieving evidence by querying a search engine and then performing classification by providing the evidence set and atomic claim to a large language model, but this process deviates from what a human would do in order to perform the task. Recent work attempted to address this issue by proposing iterative evidence retrieval, allowing for evidence to be collected several times and only when necessary. Continuing along this line of research, we propose a novel claim verification system, called EMULATE, which is designed to better emulate human actions through the use of a multi-agent framework where each agent performs a small part of the larger task, such as ranking search results according to predefined criteria or evaluating webpage content. Extensive experiments on several benchmarks show clear improvements over prior work, demonstrating the efficacy of our new multi-agent framework.
comment: FEVER 2025 (co-located with ACL 2025)
♻ ☆ A Survey on Data Selection for LLM Instruction Tuning
Instruction tuning is a vital step of training large language models (LLM), so how to enhance the effect of instruction tuning has received increased attention. Existing works indicate that the quality of the dataset is more crucial than the quantity during instruction tuning of LLM. Therefore, recently a lot of studies focus on exploring the methods of selecting high-quality subset from instruction datasets, aiming to reduce training costs and enhance the instruction-following capabilities of LLMs. This paper presents a comprehensive survey on data selection for LLM instruction tuning. Firstly, we introduce the wildly used instruction datasets. Then, we propose a new taxonomy of the data selection methods and provide a detailed introduction of recent advances,and the evaluation strategies and results of data selection methods are also elaborated in detail. Finally, we emphasize the open challenges and present new frontiers of this task.
comment: Accepted by JAIR
♻ ☆ Step-by-Step Unmasking for Parameter-Efficient Fine-tuning of Large Language Models
Fine-tuning large language models (LLMs) on downstream tasks requires substantial computational resources. Selective PEFT, a class of parameter-efficient fine-tuning (PEFT) methodologies, aims to mitigate these computational challenges by selectively fine-tuning only a small fraction of the model parameters. Although parameter-efficient, these techniques often fail to match the performance of fully fine-tuned models, primarily due to inherent biases introduced during parameter selection. Traditional selective PEFT techniques use a fixed set of parameters selected using different importance heuristics, failing to capture parameter importance dynamically and often leading to suboptimal performance. We introduce $\text{ID}^3$, a novel selective PEFT method that calculates parameter importance continually, and dynamically unmasks parameters by balancing exploration and exploitation in parameter selection. Our empirical study on 16 tasks spanning natural language understanding, mathematical reasoning and summarization demonstrates the effectiveness of our method compared to fixed-masking selective PEFT techniques. We analytically show that $\text{ID}^3$ reduces the number of gradient updates by a factor of two, enhancing computational efficiency. Since $\text{ID}^3$ is robust to random initialization of neurons and operates directly on the optimization process, it is highly flexible and can be integrated with existing additive and reparametrization-based PEFT techniques such as adapters and LoRA respectively.
comment: 15 pages, 7 tables, 9 figures
♻ ☆ SEAL: Scaling to Emphasize Attention for Long-Context Retrieval ACL 2025
While many advanced LLMs are designed to handle long sequence data, we can still observe notable quality degradation even within the sequence limit. In this work, we introduce a novel approach called Scaling to Emphasize Attention for Long-context retrieval (SEAL), which enhances the retrieval performance of large language models (LLMs) over long contexts. We observe that specific attention heads are closely tied to long-context retrieval, showing positive or negative correlation with retrieval scores, and adjusting the strength of these heads boosts the quality of LLMs in long context by a large margin. Built on this insight, we propose a learning-based mechanism that leverages generated data to emphasize these heads. By applying SEAL, we achieve significant improvements in long-context retrieval performance across various tasks and models. Additionally, when combined with existing training-free context extension techniques, SEAL extends the contextual limits of LLMs while maintaining highly reliable outputs.
comment: Accepted at ACL 2025 Main
♻ ☆ Eye of Judgement: Dissecting the Evaluation of Russian-speaking LLMs with POLLUX
We introduce POLLUX, a comprehensive open-source benchmark designed to evaluate the generative capabilities of large language models (LLMs) in Russian. Our main contribution is a novel evaluation methodology that enhances the interpretability of LLM assessment. For each task type, we define a set of detailed criteria and develop a scoring protocol where models evaluate responses and provide justifications for their ratings. This enables transparent, criteria-driven evaluation beyond traditional resource-consuming, side-by-side human comparisons. POLLUX includes a detailed, fine-grained taxonomy of 35 task types covering diverse generative domains such as code generation, creative writing, and practical assistant use cases, totaling 2,100 manually crafted and professionally authored prompts. Each task is categorized by difficulty (easy/medium/hard), with experts constructing the dataset entirely from scratch. We also release a family of LLM-as-a-Judge (7B and 32B) evaluators trained for nuanced assessment of generative outputs. This approach provides scalable, interpretable evaluation and annotation tools for model development, effectively replacing costly and less precise human judgments.
comment: 179 pages
♻ ☆ Handling Numeric Expressions in Automatic Speech Recognition
This paper addresses the problem of correctly formatting numeric expressions in automatic speech recognition (ASR) transcripts. This is challenging since the expected transcript format depends on the context, e.g., 1945 (year) vs. 19:45 (timestamp). We compare cascaded and end-to-end approaches to recognize and format numeric expressions such as years, timestamps, currency amounts, and quantities. For the end-to-end approach, we employed a data generation strategy using a large language model (LLM) together with a text to speech (TTS) model to generate adaptation data. The results on our test data set show that while approaches based on LLMs perform well in recognizing formatted numeric expressions, adapted end-to-end models offer competitive performance with the advantage of lower latency and inference cost.
♻ ☆ Better Language Model Inversion by Compactly Representing Next-Token Distributions
Language model inversion seeks to recover hidden prompts using only language model outputs. This capability has implications for security and accountability in language model deployments, such as leaking private information from an API-protected language model's system message. We propose a new method -- prompt inversion from logprob sequences (PILS) -- that recovers hidden prompts by gleaning clues from the model's next-token probabilities over the course of multiple generation steps. Our method is enabled by a key insight: The vector-valued outputs of a language model occupy a low-dimensional subspace. This enables us to losslessly compress the full next-token probability distribution over multiple generation steps using a linear map, allowing more output information to be used for inversion. Our approach yields massive gains over previous state-of-the-art methods for recovering hidden prompts, achieving 2--3.5 times higher exact recovery rates across test sets, in one case increasing the recovery rate from 17% to 60%. Our method also exhibits surprisingly good generalization behavior; for instance, an inverter trained on 16 generations steps gets 5--27 points higher prompt recovery when we increase the number of steps to 32 at test time. Furthermore, we demonstrate strong performance of our method on the more challenging task of recovering hidden system messages. We also analyze the role of verbatim repetition in prompt recovery and propose a new method for cross-family model transfer for logit-based inverters. Our findings show that next-token probabilities are a considerably more vulnerable attack surface for inversion attacks than previously known.
♻ ☆ HausaNLP at SemEval-2025 Task 11: Hausa Text Emotion Detection
This paper presents our approach to multi-label emotion detection in Hausa, a low-resource African language, for SemEval Track A. We fine-tuned AfriBERTa, a transformer-based model pre-trained on African languages, to classify Hausa text into six emotions: anger, disgust, fear, joy, sadness, and surprise. Our methodology involved data preprocessing, tokenization, and model fine-tuning using the Hugging Face Trainer API. The system achieved a validation accuracy of 74.00%, with an F1-score of 73.50%, demonstrating the effectiveness of transformer-based models for emotion detection in low-resource languages.
♻ ☆ "I understand why I got this grade": Automatic Short Answer Grading with Feedback
In recent years, there has been a growing interest in using Artificial Intelligence (AI) to automate student assessment in education. Among different types of assessments, summative assessments play a crucial role in evaluating a student's understanding level of a course. Such examinations often involve short-answer questions. However, grading these responses and providing meaningful feedback manually at scale is both time-consuming and labor-intensive. Feedback is particularly important, as it helps students recognize their strengths and areas for improvement. Despite the importance of this task, there is a significant lack of publicly available datasets that support automatic short-answer grading with feedback generation. To address this gap, we introduce Engineering Short Answer Feedback (EngSAF), a dataset designed for automatic short-answer grading with feedback. The dataset covers a diverse range of subjects, questions, and answer patterns from multiple engineering domains and contains ~5.8k data points. We incorporate feedback into our dataset by leveraging the generative capabilities of state-of-the-art large language models (LLMs) using our Label-Aware Synthetic Feedback Generation (LASFG) strategy. This paper underscores the importance of enhanced feedback in practical educational settings, outlines dataset annotation and feedback generation processes, conducts a thorough EngSAF analysis, and provides different LLMs-based zero-shot and finetuned baselines for future comparison. The best-performing model (Mistral-7B) achieves an overall accuracy of 75.4% and 58.7% on unseen answers and unseen question test sets, respectively. Additionally, we demonstrate the efficiency and effectiveness of our ASAG system through its deployment in a real-world end-semester exam at a reputed institute.
♻ ☆ C-SEO Bench: Does Conversational SEO Work?
Large Language Models (LLMs) are transforming search engines into Conversational Search Engines (CSE). Consequently, Search Engine Optimization (SEO) is being shifted into Conversational Search Engine Optimization (C-SEO). We are beginning to see dedicated C-SEO methods for modifying web documents to increase their visibility in CSE responses. However, they are often tested only for a limited breadth of application domains; we do not understand whether certain C-SEO methods would be effective for a broad range of domains. Moreover, existing evaluations consider only a single-actor scenario where only one web document adopts a C-SEO method; in reality, multiple players are likely to competitively adopt the cutting-edge C-SEO techniques, drawing an analogy from the dynamics we have seen in SEO. We present C-SEO Bench, the first benchmark designed to evaluate C-SEO methods across multiple tasks, domains, and number of actors. We consider two search tasks, question answering and product recommendation, with three domains each. We also formalize a new evaluation protocol with varying adoption rates among involved actors. Our experiments reveal that most current C-SEO methods are largely ineffective, contrary to reported results in the literature. Instead, traditional SEO strategies, those aiming to improve the ranking of the source in the LLM context, are significantly more effective. We also observe that as we increase the number of C-SEO adopters, the overall gains decrease, depicting a congested and zero-sum nature of the problem. Our code and data are available at https://github.com/parameterlab/c-seo-bench and https://huggingface.co/datasets/parameterlab/c-seo-bench.
♻ ☆ Alignment Helps Make the Most of Multimodal Data
Political scientists increasingly analyze multimodal data. However, the effective analysis of such data requires aligning information across different modalities. In our paper, we demonstrate the significance of such alignment. Informed by a systematic review of 2,703 papers, we find that political scientists typically do not align their multimodal data. Introducing a decision tree that guides alignment choices, our framework highlights alignment's untapped potential and provides concrete advice in research design and modeling decisions. We illustrate alignment's analytical value through two applications: predicting tonality in U.S. presidential campaign ads and cross-modal querying of German parliamentary speeches to examine responses to the far-right AfD.
comment: Working Paper
♻ ☆ Pretraining Language Models to Ponder in Continuous Space
Humans ponder before articulating complex sentence elements, enabling deeper cognitive processing through focused effort. In this work, we introduce this pondering process into language models by repeatedly invoking the forward process within a single token generation step. During pondering, instead of generating an actual token sampled from the prediction distribution, the model ponders by yielding a weighted sum of all token embeddings according to the predicted token distribution. The generated embedding is then fed back as input for another forward pass. We show that the model can learn to ponder in this way through self-supervised learning, without any human annotations. Experiments across three widely used open-source architectures-GPT-2, Pythia, and LLaMA-and extensive downstream task evaluations demonstrate the effectiveness and generality of our method. For language modeling tasks, pondering language models achieve performance comparable to vanilla models with twice the number of parameters. On 9 downstream benchmarks, our pondering-enhanced Pythia models significantly outperform the official Pythia models. Notably, PonderingPythia-2.8B surpasses Pythia-6.9B, and PonderingPythia-1B is comparable to TinyLlama-1.1B, which is trained on 10 times more data. The code is available at https://github.com/LUMIA-Group/PonderingLM.
♻ ☆ LLMs Lost in Translation: M-ALERT uncovers Cross-Linguistic Safety Inconsistencies
Building safe Large Language Models (LLMs) across multiple languages is essential in ensuring both safe access and linguistic diversity. To this end, we conduct a large-scale, comprehensive safety evaluation of the current LLM landscape. For this purpose, we introduce M-ALERT, a multilingual benchmark that evaluates the safety of LLMs in five languages: English, French, German, Italian, and Spanish. M-ALERT includes 15k high-quality prompts per language, totaling 75k, with category-wise annotations. Our extensive experiments on 39 state-of-the-art LLMs highlight the importance of language-specific safety analysis, revealing that models often exhibit significant inconsistencies in safety across languages and categories. For instance, Llama3.2 shows high unsafety in category crime_tax for Italian but remains safe in other languages. Similar inconsistencies can be observed across all models. In contrast, certain categories, such as substance_cannabis and crime_propaganda, consistently trigger unsafe responses across models and languages. These findings underscore the need for robust multilingual safety practices in LLMs to ensure responsible usage across diverse communities.
♻ ☆ Affordable AI Assistants with Knowledge Graph of Thoughts
Large Language Models (LLMs) are revolutionizing the development of AI assistants capable of performing diverse tasks across domains. However, current state-of-the-art LLM-driven agents face significant challenges, including high operational costs and limited success rates on complex benchmarks like GAIA. To address these issues, we propose Knowledge Graph of Thoughts (KGoT), an innovative AI assistant architecture that integrates LLM reasoning with dynamically constructed knowledge graphs (KGs). KGoT extracts and structures task-relevant knowledge into a dynamic KG representation, iteratively enhanced through external tools such as math solvers, web crawlers, and Python scripts. Such structured representation of task-relevant knowledge enables low-cost models to solve complex tasks effectively while also minimizing bias and noise. For example, KGoT achieves a 29% improvement in task success rates on the GAIA benchmark compared to Hugging Face Agents with GPT-4o mini. Moreover, harnessing a smaller model dramatically reduces operational costs by over 36x compared to GPT-4o. Improvements for other models (e.g., Qwen2.5-32B and Deepseek-R1-70B) and benchmarks (e.g., SimpleQA) are similar. KGoT offers a scalable, affordable, versatile, and high-performing solution for AI assistants.
♻ ☆ Piloting Copilot, Codex, and StarCoder2: Hot Temperature, Cold Prompts, or Black Magic?
Language models are promising solutions for tackling increasing complex problems. In software engineering, they recently gained attention in code assistants, which generate programs from a natural language task description (prompt). They have the potential to save time and effort but remain poorly understood, limiting their optimal use. In this article, we investigate the impact of input variations on two configurations of a language model, focusing on parameters such as task description, surrounding context, model creativity, and the number of generated solutions. We design specific operators to modify these inputs and apply them to three LLM-based code assistants (Copilot, Codex, StarCoder2) and two benchmarks representing algorithmic problems (HumanEval, LeetCode). Our study examines whether these variations significantly affect program quality and how these effects generalize across models. Our results show that varying input parameters can greatly improve performance, achieving up to 79.27% success in one-shot generation compared to 22.44% for Codex and 31.1% for Copilot in default settings. Actioning this potential in practice is challenging due to the complex interplay in our study - the optimal settings for temperature, prompt, and number of generated solutions vary by problem. Reproducing our study with StarCoder2 confirms these findings, indicating they are not model-specific. We also uncover surprising behaviors (e.g., fully removing the prompt can be effective), revealing model brittleness and areas for improvement.
comment: 53 pages, 3 Figures (not counted the subfigures), 16 Tables
♻ ☆ ASCenD-BDS: Adaptable, Stochastic and Context-aware framework for Detection of Bias, Discrimination and Stereotyping
The rapid evolution of Large Language Models (LLMs) has transformed natural language processing but raises critical concerns about biases inherent in their deployment and use across diverse linguistic and sociocultural contexts. This paper presents a framework named ASCenD BDS (Adaptable, Stochastic and Context-aware framework for Detection of Bias, Discrimination and Stereotyping). The framework presents approach to detecting bias, discrimination, stereotyping across various categories such as gender, caste, age, disability, socioeconomic status, linguistic variations, etc., using an approach which is Adaptive, Stochastic and Context-Aware. The existing frameworks rely heavily on usage of datasets to generate scenarios for detection of Bias, Discrimination and Stereotyping. Examples include datasets such as Civil Comments, Wino Gender, WinoBias, BOLD, CrowS Pairs and BBQ. However, such an approach provides point solutions. As a result, these datasets provide a finite number of scenarios for assessment. The current framework overcomes this limitation by having features which enable Adaptability, Stochasticity, Context Awareness. Context awareness can be customized for any nation or culture or sub-culture (for example an organization's unique culture). In this paper, context awareness in the Indian context has been established. Content has been leveraged from Indian Census 2011 to have a commonality of categorization. A framework has been developed using Category, Sub-Category, STEM, X-Factor, Synonym to enable the features for Adaptability, Stochasticity and Context awareness. The framework has been described in detail in Section 3. Overall 800 plus STEMs, 10 Categories, 31 unique SubCategories were developed by a team of consultants at Saint Fox Consultancy Private Ltd. The concept has been tested out in SFCLabs as part of product development.
comment: 17 pages, 6 Figures and this manuscript will be submitted to Q1,Q2 Journals
♻ ☆ HiRAG: Retrieval-Augmented Generation with Hierarchical Knowledge
Graph-based Retrieval-Augmented Generation (RAG) methods have significantly enhanced the performance of large language models (LLMs) in domain-specific tasks. However, existing RAG methods do not adequately utilize the naturally inherent hierarchical knowledge in human cognition, which limits the capabilities of RAG systems. In this paper, we introduce a new RAG approach, called HiRAG, which utilizes hierarchical knowledge to enhance the semantic understanding and structure capturing capabilities of RAG systems in the indexing and retrieval processes. Our extensive experiments demonstrate that HiRAG achieves significant performance improvements over the state-of-the-art baseline methods.
♻ ☆ MORTAR: Multi-turn Metamorphic Testing for LLM-based Dialogue Systems
With the widespread application of LLM-based dialogue systems in daily life, quality assurance has become more important than ever. Recent research has successfully introduced methods to identify unexpected behaviour in single-turn testing scenarios. However, multi-turn interaction is the common real-world usage of dialogue systems, yet testing methods for such interactions remain underexplored. This is largely due to the oracle problem in multi-turn testing, which continues to pose a significant challenge for dialogue system developers and researchers. In this paper, we propose MORTAR, a metamorphic multi-turn dialogue testing approach, which mitigates the test oracle problem in testing LLM-based dialogue systems. MORTAR formalises the multi-turn testing for dialogue systems, and automates the generation of question-answer dialogue test cases with multiple dialogue-level perturbations and metamorphic relations (MRs). The automated MR matching mechanism allows MORTAR more flexibility and efficiency in metamorphic testing. The proposed approach is fully automated without reliance on LLM judges. In testing six popular LLM-based dialogue systems, MORTAR reaches significantly better effectiveness with over 150\% more bugs revealed per test case when compared to the single-turn metamorphic testing baseline. Regarding the quality of bugs, MORTAR reveals higher-quality bugs in terms of diversity, precision and uniqueness. MORTAR is expected to inspire more multi-turn testing approaches, and assist developers in evaluating the dialogue system performance more comprehensively with constrained test resources and budget.
♻ ☆ Proper Noun Diacritization for Arabic Wikipedia: A Benchmark Dataset
Proper nouns in Arabic Wikipedia are frequently undiacritized, creating ambiguity in pronunciation and interpretation, especially for transliterated named entities of foreign origin. While transliteration and diacritization have been well-studied separately in Arabic NLP, their intersection remains underexplored. In this paper, we introduce a new manually diacritized dataset of Arabic proper nouns of various origins with their English Wikipedia equivalent glosses, and present the challenges and guidelines we followed to create it. We benchmark GPT-4o on the task of recovering full diacritization given the undiacritized Arabic and English forms, and analyze its performance. Achieving 73% accuracy, our results underscore both the difficulty of the task and the need for improved models and resources. We release our dataset to facilitate further research on Arabic Wikipedia proper noun diacritization.
♻ ☆ PlantDeBERTa: An Open Source Language Model for Plant Science
The rapid advancement of transformer-based language models has catalyzed breakthroughs in biomedical and clinical natural language processing; however, plant science remains markedly underserved by such domain-adapted tools. In this work, we present PlantDeBERTa, a high-performance, open-source language model specifically tailored for extracting structured knowledge from plant stress-response literature. Built upon the DeBERTa architecture-known for its disentangled attention and robust contextual encoding-PlantDeBERTa is fine-tuned on a meticulously curated corpus of expert-annotated abstracts, with a primary focus on lentil (Lens culinaris) responses to diverse abiotic and biotic stressors. Our methodology combines transformer-based modeling with rule-enhanced linguistic post-processing and ontology-grounded entity normalization, enabling PlantDeBERTa to capture biologically meaningful relationships with precision and semantic fidelity. The underlying corpus is annotated using a hierarchical schema aligned with the Crop Ontology, encompassing molecular, physiological, biochemical, and agronomic dimensions of plant adaptation. PlantDeBERTa exhibits strong generalization capabilities across entity types and demonstrates the feasibility of robust domain adaptation in low-resource scientific fields.By providing a scalable and reproducible framework for high-resolution entity recognition, PlantDeBERTa bridges a critical gap in agricultural NLP and paves the way for intelligent, data-driven systems in plant genomics, phenomics, and agronomic knowledge discovery. Our model is publicly released to promote transparency and accelerate cross-disciplinary innovation in computational plant science.
♻ ☆ OAgents: An Empirical Study of Building Effective Agents
Recently, Agentic AI has become an increasingly popular research field. However, we argue that current agent research practices lack standardization and scientific rigor, making it hard to conduct fair comparisons among methods. As a result, it is still unclear how different design choices in agent frameworks affect effectiveness, and measuring their progress remains challenging. In this work, we conduct a systematic empirical study on GAIA benchmark and BrowseComp to examine the impact of popular design choices in key agent components in a fair and rigorous manner. We find that the lack of a standard evaluation protocol makes previous works, even open-sourced ones, non-reproducible, with significant variance between random runs. Therefore, we introduce a more robust evaluation protocol to stabilize comparisons. Our study reveals which components and designs are crucial for effective agents, while others are redundant, despite seeming logical. Based on our findings, we build and open-source OAgents, a new foundation agent framework that achieves state-of-the-art performance among open-source projects. OAgents offers a modular design for various agent components, promoting future research in Agentic AI.
comment: 28 pages
♻ ☆ Circuit Compositions: Exploring Modular Structures in Transformer-Based Language Models ACL 2025
A fundamental question in interpretability research is to what extent neural networks, particularly language models, implement reusable functions through subnetworks that can be composed to perform more complex tasks. Recent advances in mechanistic interpretability have made progress in identifying $\textit{circuits}$, which represent the minimal computational subgraphs responsible for a model's behavior on specific tasks. However, most studies focus on identifying circuits for individual tasks without investigating how functionally similar circuits $\textit{relate}$ to each other. To address this gap, we study the modularity of neural networks by analyzing circuits for highly compositional subtasks within a transformer-based language model. Specifically, given a probabilistic context-free grammar, we identify and compare circuits responsible for ten modular string-edit operations. Our results indicate that functionally similar circuits exhibit both notable node overlap and cross-task faithfulness. Moreover, we demonstrate that the circuits identified can be reused and combined through set operations to represent more complex functional model capabilities.
comment: ACL 2025 main, 22 pages, 21 figures
♻ ☆ Compromising Honesty and Harmlessness in Language Models via Deception Attacks
Recent research on large language models (LLMs) has demonstrated their ability to understand and employ deceptive behavior, even without explicit prompting. However, such behavior has only been observed in rare, specialized cases and has not been shown to pose a serious risk to users. Additionally, research on AI alignment has made significant advancements in training models to refuse generating misleading or toxic content. As a result, LLMs generally became honest and harmless. In this study, we introduce "deception attacks" that undermine both of these traits, revealing a vulnerability that, if exploited, could have serious real-world consequences. We introduce fine-tuning methods that cause models to selectively deceive users on targeted topics while remaining accurate on others. Through a series of experiments, we show that such targeted deception is effective even in high-stakes domains or ideologically charged subjects. In addition, we find that deceptive fine-tuning often compromises other safety properties: deceptive models are more likely to produce toxic content, including hate speech and stereotypes. Finally, we assess whether models can deceive consistently in multi-turn dialogues, yielding mixed results. Given that millions of users interact with LLM-based chatbots, voice assistants, agents, and other interfaces where trustworthiness cannot be ensured, securing these models against deception attacks is critical.
♻ ☆ Infi-MMR: Curriculum-based Unlocking Multimodal Reasoning via Phased Reinforcement Learning in Multimodal Small Language Models
Recent advancements in large language models (LLMs) have demonstrated substantial progress in reasoning capabilities, such as DeepSeek-R1, which leverages rule-based reinforcement learning to enhance logical reasoning significantly. However, extending these achievements to multimodal large language models (MLLMs) presents critical challenges, which are frequently more pronounced for Multimodal Small Language Models (MSLMs) given their typically weaker foundational reasoning abilities: (1) the scarcity of high-quality multimodal reasoning datasets, (2) the degradation of reasoning capabilities due to the integration of visual processing, and (3) the risk that direct application of reinforcement learning may produce complex yet incorrect reasoning processes. To address these challenges, we design a novel framework Infi-MMR to systematically unlock the reasoning potential of MSLMs through a curriculum of three carefully structured phases and propose our multimodal reasoning model Infi-MMR-3B. The first phase, Foundational Reasoning Activation, leverages high-quality textual reasoning datasets to activate and strengthen the model's logical reasoning capabilities. The second phase, Cross-Modal Reasoning Adaptation, utilizes caption-augmented multimodal data to facilitate the progressive transfer of reasoning skills to multimodal contexts. The third phase, Multimodal Reasoning Enhancement, employs curated, caption-free multimodal data to mitigate linguistic biases and promote robust cross-modal reasoning. Infi-MMR-3B achieves both state-of-the-art multimodal math reasoning ability (43.68% on MathVerse testmini, 27.04% on MathVision test, and 21.33% on OlympiadBench) and general reasoning ability (67.2% on MathVista testmini). Resources are available at https://huggingface.co/Reallm-Labs/Infi-MMR-3B.
♻ ☆ SLR: An Automated Synthesis Framework for Scalable Logical Reasoning
We introduce SLR, an end-to-end framework for systematic evaluation and training of Large Language Models (LLMs) via Scalable Logical Reasoning. Given a user's task specification, SLR enables scalable, automated synthesis of inductive reasoning tasks with precisely controlled difficulty. For each task, SLR synthesizes (i) a latent ground-truth rule, (ii) an executable validation program used by a symbolic judge to deterministically verify model outputs, and (iii) an instruction prompt for the reasoning task. Using SLR, we create SLR-Bench, a benchmark comprising over 19k prompts spanning 20 curriculum levels that progressively increase in relational, arithmetic, and recursive complexity. Large-scale evaluation reveals that contemporary LLMs readily produce syntactically valid rules, yet often fail at correct logical inference. Recent reasoning LLMs do somewhat better, but incur substantial increases in test-time compute, sometimes exceeding 15k completion tokens. Finally, logic-tuning via SLR doubles Llama-3-8B accuracy on SLR-Bench, achieving parity with Gemini-Flash-Thinking at a fraction of computational cost. SLR is fully automated, requires no human annotation, ensures dataset novelty, and offers a scalable environment for probing and advancing LLMs' reasoning capabilities.
♻ ☆ Song Form-aware Full-Song Text-to-Lyrics Generation with Multi-Level Granularity Syllable Count Control
Lyrics generation presents unique challenges, particularly in achieving precise syllable control while adhering to song form structures such as verses and choruses. Conventional line-by-line approaches often lead to unnatural phrasing, underscoring the need for more granular syllable management. We propose a framework for lyrics generation that enables multi-level syllable control at the word, phrase, line, and paragraph levels, aware of song form. Our approach generates complete lyrics conditioned on input text and song form, ensuring alignment with specified syllable constraints. Generated lyrics samples are available at: https://tinyurl.com/lyrics9999
comment: Accepted to Interspeech 2025
♻ ☆ A Rigorous Evaluation of LLM Data Generation Strategies for Low-Resource Languages
Large Language Models (LLMs) are increasingly used to generate synthetic textual data for training smaller specialized models. However, a comparison of various generation strategies for low-resource language settings is lacking. While various prompting strategies have been proposed, such as demonstrations, label-based summaries, and self-revision, their comparative effectiveness remains unclear, especially for low-resource languages. In this paper, we systematically evaluate the performance of these generation strategies and their combinations across 11 typologically diverse languages, including several extremely low-resource ones. Using three NLP tasks and four open-source LLMs, we assess downstream model performance on generated versus gold-standard data. Our results show that strategic combinations of generation methods, particularly target-language demonstrations with LLM-based revisions, yield strong performance, narrowing the gap with real data to as little as 5% in some settings. We also find that smart prompting techniques can reduce the advantage of larger LLMs, highlighting efficient generation strategies for synthetic data generation in low-resource scenarios with smaller models.
comment: 21 pages, fixed typo
♻ ☆ Factual Knowledge in Language Models: Robustness and Anomalies under Simple Temporal Context Variations ACL 2025
This paper explores the robustness of language models (LMs) to variations in the temporal context within factual knowledge. It examines whether LMs can correctly associate a temporal context with a past fact valid over a defined period, by asking them to differentiate correct from incorrect contexts. The LMs' ability to distinguish is analyzed along two dimensions: the distance of the incorrect context from the validity period and the granularity of the context. To this end, a dataset called TimeStress is introduced, enabling the evaluation of 18 diverse LMs. Results reveal that the best LM achieves a perfect distinction for only 11% of the studied facts, with errors, certainly rare, but critical that humans would not make. This work highlights the limitations of current LMs in temporal representation.
comment: preprint v6, accepted for publication at ACL 2025 - L2M2 Workshop
♻ ☆ A Survey on Large Language Model based Human-Agent Systems
Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. These human-agent collaboration systems enable humans and LLM-based agents to collaborate effectively by leveraging their complementary strengths. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities arising from human-AI collaboration. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems.
comment: Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems
♻ ☆ RePST: Language Model Empowered Spatio-Temporal Forecasting via Semantic-Oriented Reprogramming
Spatio-temporal forecasting is pivotal in numerous real-world applications, including transportation planning, energy management, and climate monitoring. In this work, we aim to harness the reasoning and generalization abilities of Pre-trained Language Models (PLMs) for more effective spatio-temporal forecasting, particularly in data-scarce scenarios. However, recent studies uncover that PLMs, which are primarily trained on textual data, often falter when tasked with modeling the intricate correlations in numerical time series, thereby limiting their effectiveness in comprehending spatio-temporal data. To bridge the gap, we propose RePST, a semantic-oriented PLM reprogramming framework tailored for spatio-temporal forecasting. Specifically, we first propose a semantic-oriented decomposer that adaptively disentangles spatially correlated time series into interpretable sub-components, which facilitates PLM to understand sophisticated spatio-temporal dynamics via a divide-and-conquer strategy. Moreover, we propose a selective discrete reprogramming scheme, which introduces an expanded spatio-temporal vocabulary space to project spatio-temporal series into discrete representations. This scheme minimizes the information loss during reprogramming and enriches the representations derived by PLMs. Extensive experiments on real-world datasets show that the proposed RePST outperforms twelve state-of-the-art baseline methods, particularly in data-scarce scenarios, highlighting the effectiveness and superior generalization capabilities of PLMs for spatio-temporal forecasting. Our codes can be found at https://github.com/usail-hkust/REPST.
♻ ☆ Systematic Reward Gap Optimization for Mitigating VLM Hallucinations
The success of Direct Preference Optimization (DPO) in mitigating hallucinations in Vision Language Models (VLMs) critically hinges on the true reward gaps within preference pairs. However, current methods, typically relying on ranking or rewriting strategies, often struggle to optimize these reward gaps in a systematic way during data curation. A core difficulty lies in precisely characterizing and strategically manipulating the overall reward gap configuration, that is, the deliberate design of how to shape these reward gaps within each preference pair across the data. To address this, we introduce Topic-level Preference Rewriting(TPR), a novel framework designed for the systematic optimization of reward gap configuration. Through selectively replacing semantic topics within VLM responses with model's own resampled candidates for targeted rewriting, TPR can provide topic-level control over fine-grained semantic details. This precise control enables advanced data curation strategies, such as progressively adjusting the difficulty of rejected responses, thereby sculpting an effective reward gap configuration that guides the model to overcome challenging hallucinations. Comprehensive experiments demonstrate TPR achieves state-of-the-art performance on multiple hallucination benchmarks, outperforming previous methods by an average of 20%. Notably, it significantly reduces hallucinations by up to 93% on ObjectHal-Bench, and also exhibits superior data efficiency towards robust and cost-effective VLM alignment.
♻ ☆ Position is Power: System Prompts as a Mechanism of Bias in Large Language Models (LLMs)
System prompts in Large Language Models (LLMs) are predefined directives that guide model behaviour, taking precedence over user inputs in text processing and generation. LLM deployers increasingly use them to ensure consistent responses across contexts. While model providers set a foundation of system prompts, deployers and third-party developers can append additional prompts without visibility into others' additions, while this layered implementation remains entirely hidden from end-users. As system prompts become more complex, they can directly or indirectly introduce unaccounted for side effects. This lack of transparency raises fundamental questions about how the position of information in different directives shapes model outputs. As such, this work examines how the placement of information affects model behaviour. To this end, we compare how models process demographic information in system versus user prompts across six commercially available LLMs and 50 demographic groups. Our analysis reveals significant biases, manifesting in differences in user representation and decision-making scenarios. Since these variations stem from inaccessible and opaque system-level configurations, they risk representational, allocative and potential other biases and downstream harms beyond the user's ability to detect or correct. Our findings draw attention to these critical issues, which have the potential to perpetuate harms if left unexamined. Further, we argue that system prompt analysis must be incorporated into AI auditing processes, particularly as customisable system prompts become increasingly prevalent in commercial AI deployments.
comment: Published in Proceedings of ACM FAccT 2025 Update Comment: Fixed the error where user vs. system and implicit vs. explicit labels in the heatmaps were switched. The takeaways remain the same
♻ ☆ HiddenDetect: Detecting Jailbreak Attacks against Large Vision-Language Models via Monitoring Hidden States ACL 2025
The integration of additional modalities increases the susceptibility of large vision-language models (LVLMs) to safety risks, such as jailbreak attacks, compared to their language-only counterparts. While existing research primarily focuses on post-hoc alignment techniques, the underlying safety mechanisms within LVLMs remain largely unexplored. In this work , we investigate whether LVLMs inherently encode safety-relevant signals within their internal activations during inference. Our findings reveal that LVLMs exhibit distinct activation patterns when processing unsafe prompts, which can be leveraged to detect and mitigate adversarial inputs without requiring extensive fine-tuning. Building on this insight, we introduce HiddenDetect, a novel tuning-free framework that harnesses internal model activations to enhance safety. Experimental results show that {HiddenDetect} surpasses state-of-the-art methods in detecting jailbreak attacks against LVLMs. By utilizing intrinsic safety-aware patterns, our method provides an efficient and scalable solution for strengthening LVLM robustness against multimodal threats. Our code will be released publicly at https://github.com/leigest519/HiddenDetect.
comment: Accepted by ACL 2025 (Main)
♻ ☆ PlanGenLLMs: A Modern Survey of LLM Planning Capabilities ACL 2025
LLMs have immense potential for generating plans, transforming an initial world state into a desired goal state. A large body of research has explored the use of LLMs for various planning tasks, from web navigation to travel planning and database querying. However, many of these systems are tailored to specific problems, making it challenging to compare them or determine the best approach for new tasks. There is also a lack of clear and consistent evaluation criteria. Our survey aims to offer a comprehensive overview of current LLM planners to fill this gap. It builds on foundational work by Kartam and Wilkins (1990) and examines six key performance criteria: completeness, executability, optimality, representation, generalization, and efficiency. For each, we provide a thorough analysis of representative works and highlight their strengths and weaknesses. Our paper also identifies crucial future directions, making it a valuable resource for both practitioners and newcomers interested in leveraging LLM planning to support agentic workflows.
comment: Accepted by ACL 2025
♻ ☆ AlzheimerRAG: Multimodal Retrieval Augmented Generation for Clinical Use Cases using PubMed articles
Recent advancements in generative AI have fostered the development of highly adept Large Language Models (LLMs) that integrate diverse data types to empower decision-making. Among these, multimodal retrieval-augmented generation (RAG) applications are promising because they combine the strengths of information retrieval and generative models, enhancing their utility across various domains, including clinical use cases. This paper introduces AlzheimerRAG, a Multimodal RAG application for clinical use cases, primarily focusing on Alzheimer's Disease case studies from PubMed articles. This application incorporates cross-modal attention fusion techniques to integrate textual and visual data processing by efficiently indexing and accessing vast amounts of biomedical literature. Our experimental results, compared to benchmarks such as BioASQ and PubMedQA, have yielded improved performance in the retrieval and synthesis of domain-specific information. We also present a case study using our multimodal RAG in various Alzheimer's clinical scenarios. We infer that AlzheimerRAG can generate responses with accuracy non-inferior to humans and with low rates of hallucination.
♻ ☆ LoRA vs Full Fine-tuning: An Illusion of Equivalence
Fine-tuning is a crucial paradigm for adapting pre-trained large language models to downstream tasks. Recently, methods like Low-Rank Adaptation (LoRA) have been shown to effectively fine-tune LLMs with an extreme reduction in trainable parameters. But, \emph{are their learned solutions really equivalent?} We study how LoRA and full-finetuning change pre-trained models by analyzing the model's weight matrices through the lens of their spectral properties. We find that LoRA and full fine-tuning yield weight matrices whose singular value decompositions exhibit very different structure: weight matrices trained with LoRA have new, high-ranking singular vectors, which we call \emph{intruder dimensions}, while those trained with full fine-tuning do not. Further, we extend the finding that LoRA forgets less than full fine-tuning and find its forgetting is vastly localized to the intruder dimension -- by causally intervening on the intruder dimensions by changing their associated singular values post-fine-tuning, we show that they cause forgetting. Moreover, scaling them down significantly improves modeling of the pre-training distribution with a minimal drop in downstream task performance. Given this, we should expect accumulating intruder dimensions to be harmful and lead to more forgetting. This will be amplified during continual learning because of sequentially fine-tuning, and we show that LoRA models do accumulate intruder dimensions here tend to perform worse in this setting, emphasizing the practicality of our findings.
♻ ☆ When Large Language Models Meet Vector Databases: A Survey
This survey explores the synergistic potential of Large Language Models (LLMs) and Vector Databases (VecDBs), a burgeoning but rapidly evolving research area. With the proliferation of LLMs comes a host of challenges, including hallucinations, outdated knowledge, prohibitive commercial application costs, and memory issues. VecDBs emerge as a compelling solution to these issues by offering an efficient means to store, retrieve, and manage the high-dimensional vector representations intrinsic to LLM operations. Through this nuanced review, we delineate the foundational principles of LLMs and VecDBs and critically analyze their integration's impact on enhancing LLM functionalities. This discourse extends into a discussion on the speculative future developments in this domain, aiming to catalyze further research into optimizing the confluence of LLMs and VecDBs for advanced data handling and knowledge extraction capabilities.
♻ ☆ FutureFill: Fast Generation from Convolutional Sequence Models
We address the challenge of efficient auto-regressive generation in sequence prediction models by introducing FutureFill, a general-purpose fast generation method for any sequence prediction algorithm based on convolutional operators. FutureFill reduces generation time from quadratic to quasilinear in the context length. Moreover, when generating from a prompt, it requires a prefill cache whose size grows only with the number of tokens to be generated, often much smaller than the caches required by standard convolutional or attention based models. We validate our theoretical claims with experiments on synthetic tasks and demonstrate substantial efficiency gains when generating from a deep convolutional sequence prediction model.
♻ ☆ AdaLRS: Loss-Guided Adaptive Learning Rate Search for Efficient Foundation Model Pretraining
Learning rate is widely regarded as crucial for effective foundation model pretraining. Recent research explores and demonstrates the transferability of learning rate configurations across varying model and dataset sizes, etc. Nevertheless, these approaches are constrained to specific training scenarios and typically necessitate extensive hyperparameter tuning on proxy models. In this work, we propose \textbf{AdaLRS}, a plug-in-and-play adaptive learning rate search algorithm that conducts online optimal learning rate search via optimizing loss descent velocities. We provide experiment results to show that the optimization of training loss and loss descent velocity in foundation model pretraining are both convex and share the same optimal learning rate. Relying solely on training loss dynamics, AdaLRS involves few extra computations to guide the search process, and its convergence is guaranteed via theoretical analysis. Experiments on both LLM and VLM pretraining show that AdaLRS adjusts suboptimal learning rates to the neighborhood of optimum with marked efficiency and effectiveness, with model performance improved accordingly. We also show the robust generalizability of AdaLRS across varying training scenarios, such as different model sizes, training paradigms, and base learning rate scheduler choices.
♻ ☆ RAPID: Long-Context Inference with Retrieval-Augmented Speculative Decoding ICML 2025
The emergence of long-context large language models (LLMs) offers a promising alternative to traditional retrieval-augmented generation (RAG) for processing extensive documents. However, the computational overhead of long-context inference presents significant efficiency challenges. While Speculative Decoding (SD) traditionally accelerates inference using smaller draft models, its effectiveness diminishes substantially in long-context scenarios due to memory-bound KV cache operations. We introduce Retrieval-Augmented Speculative Decoding (RAPID), which leverages RAG for both accelerating and enhancing generation quality in long-context inference. RAPID introduces the RAG drafter-a draft LLM operating on shortened retrieval contexts-to speculate on the generation of long-context target LLMs. Our approach enables a new paradigm where same-scale or even larger LLMs can serve as RAG drafters while maintaining computational efficiency. To fully leverage the potentially superior capabilities from stronger RAG drafters, we develop an inference-time knowledge transfer that enriches the target distribution by RAG. Extensive experiments on the LLaMA-3.1 and Qwen2.5 backbones demonstrate that RAPID effectively integrates the strengths of both RAG and long-context LLMs, achieving significant performance improvements (e.g., from 39.33 to 42.83 on InfiniteBench for LLaMA-3.1-8B) with more than 2x speedups for long-context inference. Our analyses also reveal the robustness of RAPID across various context lengths and retrieval quality.
comment: ICML 2025 Spotlight
♻ ☆ Sycophancy in Vision-Language Models: A Systematic Analysis and an Inference-Time Mitigation Framework
Large Vision-Language Models (LVLMs) have shown significant capability in vision-language understanding. However, one critical issue that persists in these models is sycophancy, where models are unduly influenced by leading or deceptive prompts, resulting in biased outputs and hallucinations. Despite the rapid development of LVLMs, evaluating and mitigating sycophancy remains largely under-explored. In this work, we fill this gap by systematically analyzing sycophancy across multiple vision-language benchmarks and propose an inference-time mitigation framework. We curate leading queries and quantify the susceptibility of state-of-the-art LVLMs to prompt-induced bias, revealing consistent performance degradation and instability across models and tasks. Our analysis further uncovers model-specific behavioral traits, such as sentiment sensitivity and prediction polarity shifts under sycophancy. To mitigate these issues, we propose a training-free, model-agnostic framework that operates entirely at inference time. Our approach first employs a query neutralizer, leveraging an language model to suppress implicit sycophantic bias in user queries. We then introduce a sycophancy-aware contrastive decoding mechanism that dynamically recalibrates token-level output distributions by contrasting responses to neutralized and leading queries. Finally, an adaptive logits refinement module further modifies the contrasted logits by integrating both a adaptive plausibility filter and query sentiment scaler, ensuring coherent and robust generation. Extensive experiments demonstrate that this framework effectively mitigates sycophancy across all evaluated models, while maintaining performance on neutral prompts. Our results suggest that sycophancy in LVLMs is a general and urgent challenge, and that inference-time strategies offer a promising path toward trustworthy multimodal reasoning.
♻ ☆ Craw4LLM: Efficient Web Crawling for LLM Pretraining
Web crawl is a main source of large language models' (LLMs) pretraining data, but the majority of crawled web pages are discarded in pretraining due to low data quality. This paper presents Craw4LLM, an efficient web crawling method that explores the web graph based on the preference of LLM pretraining. Specifically, it leverages the influence of a webpage in LLM pretraining as the priority score of the web crawler's scheduler, replacing the standard graph connectivity based priority. Our experiments on a web graph containing 900 million webpages from a commercial search engine's index demonstrate the efficiency of Craw4LLM in obtaining high-quality pretraining data. With just 21% URLs crawled, LLMs pretrained on Craw4LLM data reach the same downstream performances of previous crawls, significantly reducing the crawling waste and alleviating the burdens on websites. Our code is publicly available at https://github.com/cxcscmu/Craw4LLM.
♻ ☆ From RAG to Agentic: Validating Islamic-Medicine Responses with LLM Agents ICML-25
Centuries-old Islamic medical texts like Avicenna's Canon of Medicine and the Prophetic Tibb-e-Nabawi encode a wealth of preventive care, nutrition, and holistic therapies, yet remain inaccessible to many and underutilized in modern AI systems. Existing language-model benchmarks focus narrowly on factual recall or user preference, leaving a gap in validating culturally grounded medical guidance at scale. We propose a unified evaluation pipeline, Tibbe-AG, that aligns 30 carefully curated Prophetic-medicine questions with human-verified remedies and compares three LLMs (LLaMA-3, Mistral-7B, Qwen2-7B) under three configurations: direct generation, retrieval-augmented generation, and a scientific self-critique filter. Each answer is then assessed by a secondary LLM serving as an agentic judge, yielding a single 3C3H quality score. Retrieval improves factual accuracy by 13%, while the agentic prompt adds another 10% improvement through deeper mechanistic insight and safety considerations. Our results demonstrate that blending classical Islamic texts with retrieval and self-evaluation enables reliable, culturally sensitive medical question-answering.
comment: Published at the 4th Muslims in Machine Learning (MusIML) Workshop (ICML-25)
♻ ☆ NovelHopQA: Diagnosing Multi-Hop Reasoning Failures in Long Narrative Contexts
Current large language models (LLMs) struggle to answer questions that span tens of thousands of tokens, especially when multi-hop reasoning is involved. While prior benchmarks explore long-context comprehension or multi-hop reasoning in isolation, none jointly vary context length and reasoning depth in natural narrative settings. We introduce NovelHopQA, the first benchmark to evaluate 1-4 hop QA over 64k-128k-token excerpts from 83 full-length public-domain novels. A keyword-guided pipeline builds hop-separated chains grounded in coherent storylines. We evaluate seven state-of-the-art models and apply oracle-context filtering to ensure all questions are genuinely answerable. Human annotators validate both alignment and hop depth. We additionally present retrieval-augmented generation (RAG) evaluations to test model performance when only selected passages are provided instead of the full context. We noticed consistent accuracy drops with increased hops and context length increase, even for frontier models-revealing that sheer scale does not guarantee robust reasoning. Failure-mode analysis highlights common breakdowns such as missed final-hop integration and long-range drift. NovelHopQA offers a controlled diagnostic setting to test multi-hop reasoning at scale. All code and datasets are available at https://novelhopqa.github.io.
♻ ☆ Advancing African-Accented Speech Recognition: Epistemic Uncertainty-Driven Data Selection for Generalizable ASR Models ACL
Accents play a pivotal role in shaping human communication, enhancing our ability to convey and comprehend messages with clarity and cultural nuance. While there has been significant progress in Automatic Speech Recognition (ASR), African-accented English ASR has been understudied due to a lack of training datasets, which are often expensive to create and demand colossal human labor. Combining several active learning paradigms and the core-set approach, we propose a new multi-rounds adaptation process that uses epistemic uncertainty to automate the annotation process, significantly reducing the associated costs and human labor. This novel method streamlines data annotation and strategically selects data samples contributing most to model uncertainty, enhancing training efficiency. We define a new U-WER metric to track model adaptation to hard accents. We evaluate our approach across several domains, datasets, and high-performing speech models. Our results show that our approach leads to a 27\% WER relative average improvement while requiring on average 45\% less data than established baselines. Our approach also improves out-of-distribution generalization for very low-resource accents, demonstrating its viability for building generalizable ASR models in the context of accented African ASR. We open-source the code here: https://github.com/bonaventuredossou/active_learning_african_asr.
comment: Accepted at ACL SRW 2025
♻ ☆ Transferring Features Across Language Models With Model Stitching
In this work, we demonstrate that affine mappings between residual streams of language models is a cheap way to effectively transfer represented features between models. We apply this technique to transfer the weights of Sparse Autoencoders (SAEs) between models of different sizes to compare their representations. We find that small and large models learn similar representation spaces, which motivates training expensive components like SAEs on a smaller model and transferring to a larger model at a FLOPs savings. In particular, using a small-to-large transferred SAE as initialization can lead to 50% cheaper training runs when training SAEs on larger models. Next, we show that transferred probes and steering vectors can effectively recover ground truth performance. Finally, we dive deeper into feature-level transferability, finding that semantic and structural features transfer noticeably differently while specific classes of functional features have their roles faithfully mapped. Overall, our findings illustrate similarities and differences in the linear representation spaces of small and large models and demonstrate a method for improving the training efficiency of SAEs.
♻ ☆ ProxSparse: Regularized Learning of Semi-Structured Sparsity Masks for Pretrained LLMs ICML25
Large Language Models (LLMs) have demonstrated exceptional performance in natural language processing tasks, yet their massive size makes serving them inefficient and costly. Semi-structured pruning has emerged as an effective method for model acceleration, but existing approaches are suboptimal because they focus on local, layer-wise optimizations using heuristic rules, failing to leverage global feedback. We present ProxSparse, a learning-based framework for mask selection enabled by regularized optimization. ProxSparse transforms the rigid, non-differentiable mask selection process into a smoother optimization procedure, allowing gradual mask exploration with flexibility. ProxSparse does not involve additional weight updates once the mask is determined. Our extensive evaluations on 7 widely used models show that ProxSparse consistently outperforms previously proposed semi-structured mask selection methods with significant improvement, demonstrating the effectiveness of our learned approach towards semi-structured pruning.
comment: ICML25
♻ ☆ Time-IMM: A Dataset and Benchmark for Irregular Multimodal Multivariate Time Series
Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at https://www.kaggle.com/datasets/blacksnail789521/time-imm/data, and the benchmark library can be accessed at https://anonymous.4open.science/r/IMMTSF_NeurIPS2025.
comment: This paper is currently under review
♻ ☆ TRAIL: Trace Reasoning and Agentic Issue Localization
The increasing adoption of agentic workflows across diverse domains brings a critical need to scalably and systematically evaluate the complex traces these systems generate. Current evaluation methods depend on manual, domain-specific human analysis of lengthy workflow traces - an approach that does not scale with the growing complexity and volume of agentic outputs. Error analysis in these settings is further complicated by the interplay of external tool outputs and language model reasoning, making it more challenging than traditional software debugging. In this work, we (1) articulate the need for robust and dynamic evaluation methods for agentic workflow traces, (2) introduce a formal taxonomy of error types encountered in agentic systems, and (3) present a set of 148 large human-annotated traces (TRAIL) constructed using this taxonomy and grounded in established agentic benchmarks. To ensure ecological validity, we curate traces from both single and multi-agent systems, focusing on real-world applications such as software engineering and open-world information retrieval. Our evaluations reveal that modern long context LLMs perform poorly at trace debugging, with the best Gemini-2.5-pro model scoring a mere 11% on TRAIL. Our dataset and code are made publicly available to support and accelerate future research in scalable evaluation for agentic workflows.
comment: Dataset: https://huggingface.co/datasets/PatronusAI/TRAIL
♻ ☆ ADVLLM: Iterative Self-Tuning LLMs for Enhanced Jailbreaking Capabilities NAACL 2025
Recent research has shown that Large Language Models (LLMs) are vulnerable to automated jailbreak attacks, where adversarial suffixes crafted by algorithms appended to harmful queries bypass safety alignment and trigger unintended responses. Current methods for generating these suffixes are computationally expensive and have low Attack Success Rates (ASR), especially against well-aligned models like Llama2 and Llama3. To overcome these limitations, we introduce ADV-LLM, an iterative self-tuning process that crafts adversarial LLMs with enhanced jailbreak ability. Our framework significantly reduces the computational cost of generating adversarial suffixes while achieving nearly 100\% ASR on various open-source LLMs. Moreover, it exhibits strong attack transferability to closed-source models, achieving 99\% ASR on GPT-3.5 and 49\% ASR on GPT-4, despite being optimized solely on Llama3. Beyond improving jailbreak ability, ADV-LLM provides valuable insights for future safety alignment research through its ability to generate large datasets for studying LLM safety.
comment: Accepted to NAACL 2025 Main (oral)
♻ ☆ Small Language Models in the Real World: Insights from Industrial Text Classification ACL
With the emergence of ChatGPT, Transformer models have significantly advanced text classification and related tasks. Decoder-only models such as Llama exhibit strong performance and flexibility, yet they suffer from inefficiency on inference due to token-by-token generation, and their effectiveness in text classification tasks heavily depends on prompt quality. Moreover, their substantial GPU resource requirements often limit widespread adoption. Thus, the question of whether smaller language models are capable of effectively handling text classification tasks emerges as a topic of significant interest. However, the selection of appropriate models and methodologies remains largely underexplored. In this paper, we conduct a comprehensive evaluation of prompt engineering and supervised fine-tuning methods for transformer-based text classification. Specifically, we focus on practical industrial scenarios, including email classification, legal document categorization, and the classification of extremely long academic texts. We examine the strengths and limitations of smaller models, with particular attention to both their performance and their efficiency in Video Random-Access Memory (VRAM) utilization, thereby providing valuable insights for the local deployment and application of compact models in industrial settings.
comment: This paper has been accepted as a conference paper in the Industry Track of the 63rd Annual Meeting of the Association for Computational Linguistics (ACL)
♻ ☆ Impact of Visual Context on Noisy Multimodal NMT: An Empirical Study for English to Indian Languages
Neural Machine Translation (NMT) has made remarkable progress using large-scale textual data, but the potential of incorporating multimodal inputs, especially visual information, remains underexplored in high-resource settings. While prior research has focused on using multimodal data in low-resource scenarios, this study examines how image features impact translation when added to a large-scale, pre-trained unimodal NMT system. Surprisingly, the study finds that images might be redundant in this context. Additionally, the research introduces synthetic noise to assess whether images help the model handle textual noise. Multimodal models slightly outperform text-only models in noisy settings, even when random images are used. The study's experiments translate from English to Hindi, Bengali, and Malayalam, significantly outperforming state-of-the-art benchmarks. Interestingly, the effect of visual context varies with the level of source text noise: no visual context works best for non-noisy translations, cropped image features are optimal for low noise, and full image features perform better in high-noise scenarios. This sheds light on the role of visual context, especially in noisy settings, and opens up a new research direction for Noisy Neural Machine Translation in multimodal setups. The research emphasizes the importance of combining visual and textual information to improve translation across various environments. Our code is publicly available at https://github.com/babangain/indicMMT.
♻ ☆ Rational Metareasoning for Large Language Models
Being prompted to engage in reasoning has emerged as a core technique for using large language models (LLMs), deploying additional inference-time compute to improve task performance. However, as LLMs increase in both size and adoption, inference costs are correspondingly becoming increasingly burdensome. How, then, might we optimize reasoning's cost-performance tradeoff? This work introduces a novel approach based on computational models of metareasoning used in cognitive science, training LLMs to selectively use intermediate reasoning steps only when necessary. We first develop a reward function that incorporates the Value of Computation by penalizing unnecessary reasoning, then use this reward function with Expert Iteration to train the LLM. Compared to few-shot chain-of-thought prompting and STaR, our method significantly reduces inference costs (20-37\% fewer tokens generated across three models) while maintaining task performance across diverse datasets.
♻ ☆ Self-reflecting Large Language Models: A Hegelian Dialectical Approach
Investigating NLP through a philosophical lens has recently caught researchers' eyes, as it bridges computational methods with classical schools of philosophy. This paper introduces a philosophical framework inspired by the Hegelian Dialectic to enable LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and synthesize new scientific ideas (spanning domains such as mathematics, physics, and more). Additionally, we explore the effect of generation temperature in LLMs by introducing a dynamic annealing approach, which encourages creativity in the early stages and gradually focuses on refinement and nuance, as well as a constant-temperature strategy. Furthermore, we implement a Multi-Agent Majority Voting (MAMV) strategy to assess the validity and novelty of the generated ideas, which proves useful in the absence of domain experts. We also evaluate the effectiveness of our method in generating novel scientific ideas and improving LLMs' reasoning capabilities. Our experiments demonstrate promising results in ideation, along with significant improvements in mathematical and symbolic reasoning.
Computer Vision and Pattern Recognition 100
☆ TC-Light: Temporally Consistent Relighting for Dynamic Long Videos
Editing illumination in long videos with complex dynamics has significant value in various downstream tasks, including visual content creation and manipulation, as well as data scaling up for embodied AI through sim2real and real2real transfer. Nevertheless, existing video relighting techniques are predominantly limited to portrait videos or fall into the bottleneck of temporal consistency and computation efficiency. In this paper, we propose TC-Light, a novel paradigm characterized by the proposed two-stage post optimization mechanism. Starting from the video preliminarily relighted by an inflated video relighting model, it optimizes appearance embedding in the first stage to align global illumination. Then it optimizes the proposed canonical video representation, i.e., Unique Video Tensor (UVT), to align fine-grained texture and lighting in the second stage. To comprehensively evaluate performance, we also establish a long and highly dynamic video benchmark. Extensive experiments show that our method enables physically plausible relighting results with superior temporal coherence and low computation cost. The code and video demos are available at https://dekuliutesla.github.io/tclight/.
comment: Project Page: https://dekuliutesla.github.io/tclight/ Code: https://github.com/Linketic/TC-Light
☆ VMem: Consistent Interactive Video Scene Generation with Surfel-Indexed View Memory
We propose a novel memory mechanism to build video generators that can explore environments interactively. Similar results have previously been achieved by out-painting 2D views of the scene while incrementally reconstructing its 3D geometry, which quickly accumulates errors, or by video generators with a short context window, which struggle to maintain scene coherence over the long term. To address these limitations, we introduce Surfel-Indexed View Memory (VMem), a mechanism that remembers past views by indexing them geometrically based on the 3D surface elements (surfels) they have observed. VMem enables the efficient retrieval of the most relevant past views when generating new ones. By focusing only on these relevant views, our method produces consistent explorations of imagined environments at a fraction of the computational cost of using all past views as context. We evaluate our approach on challenging long-term scene synthesis benchmarks and demonstrate superior performance compared to existing methods in maintaining scene coherence and camera control.
comment: Project page: https://v-mem.github.io
☆ From Virtual Games to Real-World Play
We introduce RealPlay, a neural network-based real-world game engine that enables interactive video generation from user control signals. Unlike prior works focused on game-style visuals, RealPlay aims to produce photorealistic, temporally consistent video sequences that resemble real-world footage. It operates in an interactive loop: users observe a generated scene, issue a control command, and receive a short video chunk in response. To enable such realistic and responsive generation, we address key challenges including iterative chunk-wise prediction for low-latency feedback, temporal consistency across iterations, and accurate control response. RealPlay is trained on a combination of labeled game data and unlabeled real-world videos, without requiring real-world action annotations. Notably, we observe two forms of generalization: (1) control transfer-RealPlay effectively maps control signals from virtual to real-world scenarios; and (2) entity transfer-although training labels originate solely from a car racing game, RealPlay generalizes to control diverse real-world entities, including bicycles and pedestrians, beyond vehicles. Project page can be found: https://wenqsun.github.io/RealPlay/
comment: Project page: https://wenqsun.github.io/RealPlay/
☆ Audit & Repair: An Agentic Framework for Consistent Story Visualization in Text-to-Image Diffusion Models
Story visualization has become a popular task where visual scenes are generated to depict a narrative across multiple panels. A central challenge in this setting is maintaining visual consistency, particularly in how characters and objects persist and evolve throughout the story. Despite recent advances in diffusion models, current approaches often fail to preserve key character attributes, leading to incoherent narratives. In this work, we propose a collaborative multi-agent framework that autonomously identifies, corrects, and refines inconsistencies across multi-panel story visualizations. The agents operate in an iterative loop, enabling fine-grained, panel-level updates without re-generating entire sequences. Our framework is model-agnostic and flexibly integrates with a variety of diffusion models, including rectified flow transformers such as Flux and latent diffusion models such as Stable Diffusion. Quantitative and qualitative experiments show that our method outperforms prior approaches in terms of multi-panel consistency.
comment: Project webpage: https://auditandrepair.github.io/
☆ FilMaster: Bridging Cinematic Principles and Generative AI for Automated Film Generation
AI-driven content creation has shown potential in film production. However, existing film generation systems struggle to implement cinematic principles and thus fail to generate professional-quality films, particularly lacking diverse camera language and cinematic rhythm. This results in templated visuals and unengaging narratives. To address this, we introduce FilMaster, an end-to-end AI system that integrates real-world cinematic principles for professional-grade film generation, yielding editable, industry-standard outputs. FilMaster is built on two key principles: (1) learning cinematography from extensive real-world film data and (2) emulating professional, audience-centric post-production workflows. Inspired by these principles, FilMaster incorporates two stages: a Reference-Guided Generation Stage which transforms user input to video clips, and a Generative Post-Production Stage which transforms raw footage into audiovisual outputs by orchestrating visual and auditory elements for cinematic rhythm. Our generation stage highlights a Multi-shot Synergized RAG Camera Language Design module to guide the AI in generating professional camera language by retrieving reference clips from a vast corpus of 440,000 film clips. Our post-production stage emulates professional workflows by designing an Audience-Centric Cinematic Rhythm Control module, including Rough Cut and Fine Cut processes informed by simulated audience feedback, for effective integration of audiovisual elements to achieve engaging content. The system is empowered by generative AI models like (M)LLMs and video generation models. Furthermore, we introduce FilmEval, a comprehensive benchmark for evaluating AI-generated films. Extensive experiments show FilMaster's superior performance in camera language design and cinematic rhythm control, advancing generative AI in professional filmmaking.
comment: Project Page: https://filmaster-ai.github.io/
☆ Vision as a Dialect: Unifying Visual Understanding and Generation via Text-Aligned Representations
This paper presents a multimodal framework that attempts to unify visual understanding and generation within a shared discrete semantic representation. At its core is the Text-Aligned Tokenizer (TA-Tok), which converts images into discrete tokens using a text-aligned codebook projected from a large language model's (LLM) vocabulary. By integrating vision and text into a unified space with an expanded vocabulary, our multimodal LLM, Tar, enables cross-modal input and output through a shared interface, without the need for modality-specific designs. Additionally, we propose scale-adaptive encoding and decoding to balance efficiency and visual detail, along with a generative de-tokenizer to produce high-fidelity visual outputs. To address diverse decoding needs, we utilize two complementary de-tokenizers: a fast autoregressive model and a diffusion-based model. To enhance modality fusion, we investigate advanced pre-training tasks, demonstrating improvements in both visual understanding and generation. Experiments across benchmarks show that Tar matches or surpasses existing multimodal LLM methods, achieving faster convergence and greater training efficiency. Code, models, and data are available at https://tar.csuhan.com
comment: Project page: https://tar.csuhan.com
☆ 4D-LRM: Large Space-Time Reconstruction Model From and To Any View at Any Time
Can we scale 4D pretraining to learn general space-time representations that reconstruct an object from a few views at some times to any view at any time? We provide an affirmative answer with 4D-LRM, the first large-scale 4D reconstruction model that takes input from unconstrained views and timestamps and renders arbitrary novel view-time combinations. Unlike prior 4D approaches, e.g., optimization-based, geometry-based, or generative, that struggle with efficiency, generalization, or faithfulness, 4D-LRM learns a unified space-time representation and directly predicts per-pixel 4D Gaussian primitives from posed image tokens across time, enabling fast, high-quality rendering at, in principle, infinite frame rate. Our results demonstrate that scaling spatiotemporal pretraining enables accurate and efficient 4D reconstruction. We show that 4D-LRM generalizes to novel objects, interpolates across time, and handles diverse camera setups. It reconstructs 24-frame sequences in one forward pass with less than 1.5 seconds on a single A100 GPU.
comment: Project page: https://4dlrm.github.io/
☆ GRAND-SLAM: Local Optimization for Globally Consistent Large-Scale Multi-Agent Gaussian SLAM
3D Gaussian splatting has emerged as an expressive scene representation for RGB-D visual SLAM, but its application to large-scale, multi-agent outdoor environments remains unexplored. Multi-agent Gaussian SLAM is a promising approach to rapid exploration and reconstruction of environments, offering scalable environment representations, but existing approaches are limited to small-scale, indoor environments. To that end, we propose Gaussian Reconstruction via Multi-Agent Dense SLAM, or GRAND-SLAM, a collaborative Gaussian splatting SLAM method that integrates i) an implicit tracking module based on local optimization over submaps and ii) an approach to inter- and intra-robot loop closure integrated into a pose-graph optimization framework. Experiments show that GRAND-SLAM provides state-of-the-art tracking performance and 28% higher PSNR than existing methods on the Replica indoor dataset, as well as 91% lower multi-agent tracking error and improved rendering over existing multi-agent methods on the large-scale, outdoor Kimera-Multi dataset.
☆ Universal Video Temporal Grounding with Generative Multi-modal Large Language Models
This paper presents a computational model for universal video temporal grounding, which accurately localizes temporal moments in videos based on natural language queries (e.g., questions or descriptions). Unlike existing methods that are often limited to specific video domains or durations, we propose UniTime, a robust and universal video grounding model leveraging the strong vision-language understanding capabilities of generative Multi-modal Large Language Models (MLLMs). Our model effectively handles videos of diverse views, genres, and lengths while comprehending complex language queries. The key contributions include: (i) We consider steering strong MLLMs for temporal grounding in videos. To enable precise timestamp outputs, we incorporate temporal information by interleaving timestamp tokens with video tokens. (ii) By training the model to handle videos with different input granularities through adaptive frame scaling, our approach achieves robust temporal grounding for both short and long videos. (iii) Comprehensive experiments show that UniTime outperforms state-of-the-art approaches in both zero-shot and dataset-specific finetuned settings across five public temporal grounding benchmarks. (iv) When employed as a preliminary moment retriever for long-form video question-answering (VideoQA), UniTime significantly improves VideoQA accuracy, highlighting its value for complex video understanding tasks.
☆ Light of Normals: Unified Feature Representation for Universal Photometric Stereo
Universal photometric stereo (PS) aims to recover high-quality surface normals from objects under arbitrary lighting conditions without relying on specific illumination models. Despite recent advances such as SDM-UniPS and Uni MS-PS, two fundamental challenges persist: 1) the deep coupling between varying illumination and surface normal features, where ambiguity in observed intensity makes it difficult to determine whether brightness variations stem from lighting changes or surface orientation; and 2) the preservation of high-frequency geometric details in complex surfaces, where intricate geometries create self-shadowing, inter-reflections, and subtle normal variations that conventional feature processing operations struggle to capture accurately.
☆ Let Your Video Listen to Your Music!
Aligning the rhythm of visual motion in a video with a given music track is a practical need in multimedia production, yet remains an underexplored task in autonomous video editing. Effective alignment between motion and musical beats enhances viewer engagement and visual appeal, particularly in music videos, promotional content, and cinematic editing. Existing methods typically depend on labor-intensive manual cutting, speed adjustments, or heuristic-based editing techniques to achieve synchronization. While some generative models handle joint video and music generation, they often entangle the two modalities, limiting flexibility in aligning video to music beats while preserving the full visual content. In this paper, we propose a novel and efficient framework, termed MVAA (Music-Video Auto-Alignment), that automatically edits video to align with the rhythm of a given music track while preserving the original visual content. To enhance flexibility, we modularize the task into a two-step process in our MVAA: aligning motion keyframes with audio beats, followed by rhythm-aware video inpainting. Specifically, we first insert keyframes at timestamps aligned with musical beats, then use a frame-conditioned diffusion model to generate coherent intermediate frames, preserving the original video's semantic content. Since comprehensive test-time training can be time-consuming, we adopt a two-stage strategy: pretraining the inpainting module on a small video set to learn general motion priors, followed by rapid inference-time fine-tuning for video-specific adaptation. This hybrid approach enables adaptation within 10 minutes with one epoch on a single NVIDIA 4090 GPU using CogVideoX-5b-I2V as the backbone. Extensive experiments show that our approach can achieve high-quality beat alignment and visual smoothness.
comment: project page: https://zhangxinyu-xyz.github.io/MVAA/
☆ OmniGen2: Exploration to Advanced Multimodal Generation
In this work, we introduce OmniGen2, a versatile and open-source generative model designed to provide a unified solution for diverse generation tasks, including text-to-image, image editing, and in-context generation. Unlike OmniGen v1, OmniGen2 features two distinct decoding pathways for text and image modalities, utilizing unshared parameters and a decoupled image tokenizer. This design enables OmniGen2 to build upon existing multimodal understanding models without the need to re-adapt VAE inputs, thereby preserving the original text generation capabilities. To facilitate the training of OmniGen2, we developed comprehensive data construction pipelines, encompassing image editing and in-context generation data. Additionally, we introduce a reflection mechanism tailored for image generation tasks and curate a dedicated reflection dataset based on OmniGen2. Despite its relatively modest parameter size, OmniGen2 achieves competitive results on multiple task benchmarks, including text-to-image and image editing. To further evaluate in-context generation, also referred to as subject-driven tasks, we introduce a new benchmark named OmniContext. OmniGen2 achieves state-of-the-art performance among open-source models in terms of consistency. We will release our models, training code, datasets, and data construction pipeline to support future research in this field. Project Page: https://vectorspacelab.github.io/OmniGen2; GitHub Link: https://github.com/VectorSpaceLab/OmniGen2
☆ OmniAvatar: Efficient Audio-Driven Avatar Video Generation with Adaptive Body Animation
Significant progress has been made in audio-driven human animation, while most existing methods focus mainly on facial movements, limiting their ability to create full-body animations with natural synchronization and fluidity. They also struggle with precise prompt control for fine-grained generation. To tackle these challenges, we introduce OmniAvatar, an innovative audio-driven full-body video generation model that enhances human animation with improved lip-sync accuracy and natural movements. OmniAvatar introduces a pixel-wise multi-hierarchical audio embedding strategy to better capture audio features in the latent space, enhancing lip-syncing across diverse scenes. To preserve the capability for prompt-driven control of foundation models while effectively incorporating audio features, we employ a LoRA-based training approach. Extensive experiments show that OmniAvatar surpasses existing models in both facial and semi-body video generation, offering precise text-based control for creating videos in various domains, such as podcasts, human interactions, dynamic scenes, and singing. Our project page is https://omni-avatar.github.io/.
comment: Project page: https://omni-avatar.github.io/
☆ TAMMs: Temporal-Aware Multimodal Model for Satellite Image Change Understanding and Forecasting
Satellite image time-series analysis demands fine-grained spatial-temporal reasoning, which remains a challenge for existing multimodal large language models (MLLMs). In this work, we study the capabilities of MLLMs on a novel task that jointly targets temporal change understanding and future scene generation, aiming to assess their potential for modeling complex multimodal dynamics over time. We propose TAMMs, a Temporal-Aware Multimodal Model for satellite image change understanding and forecasting, which enhances frozen MLLMs with lightweight temporal modules for structured sequence encoding and contextual prompting. To guide future image generation, TAMMs introduces a Semantic-Fused Control Injection (SFCI) mechanism that adaptively combines high-level semantic reasoning and structural priors within an enhanced ControlNet. This dual-path conditioning enables temporally consistent and semantically grounded image synthesis. Experiments demonstrate that TAMMs outperforms strong MLLM baselines in both temporal change understanding and future image forecasting tasks, highlighting how carefully designed temporal reasoning and semantic fusion can unlock the full potential of MLLMs for spatio-temporal understanding.
comment: Submitted to the 33rd ACM International Conference on Multimedia. Our dataset can be found at https://huggingface.co/datasets/IceInPot/TAMMs
☆ RAG-6DPose: Retrieval-Augmented 6D Pose Estimation via Leveraging CAD as Knowledge Base
Accurate 6D pose estimation is key for robotic manipulation, enabling precise object localization for tasks like grasping. We present RAG-6DPose, a retrieval-augmented approach that leverages 3D CAD models as a knowledge base by integrating both visual and geometric cues. Our RAG-6DPose roughly contains three stages: 1) Building a Multi-Modal CAD Knowledge Base by extracting 2D visual features from multi-view CAD rendered images and also attaching 3D points; 2) Retrieving relevant CAD features from the knowledge base based on the current query image via our ReSPC module; and 3) Incorporating retrieved CAD information to refine pose predictions via retrieval-augmented decoding. Experimental results on standard benchmarks and real-world robotic tasks demonstrate the effectiveness and robustness of our approach, particularly in handling occlusions and novel viewpoints. Supplementary material is available on our project website: https://sressers.github.io/RAG-6DPose .
comment: Accepted by IROS 2025
☆ Phantom-Data : Towards a General Subject-Consistent Video Generation Dataset
Subject-to-video generation has witnessed substantial progress in recent years. However, existing models still face significant challenges in faithfully following textual instructions. This limitation, commonly known as the copy-paste problem, arises from the widely used in-pair training paradigm. This approach inherently entangles subject identity with background and contextual attributes by sampling reference images from the same scene as the target video. To address this issue, we introduce \textbf{Phantom-Data, the first general-purpose cross-pair subject-to-video consistency dataset}, containing approximately one million identity-consistent pairs across diverse categories. Our dataset is constructed via a three-stage pipeline: (1) a general and input-aligned subject detection module, (2) large-scale cross-context subject retrieval from more than 53 million videos and 3 billion images, and (3) prior-guided identity verification to ensure visual consistency under contextual variation. Comprehensive experiments show that training with Phantom-Data significantly improves prompt alignment and visual quality while preserving identity consistency on par with in-pair baselines.
comment: Project page:https://phantom-video.github.io/Phantom-Data/
☆ LIGHTHOUSE: Fast and precise distance to shoreline calculations from anywhere on earth ICML 2025
We introduce a new dataset and algorithm for fast and efficient coastal distance calculations from Anywhere on Earth (AoE). Existing global coastal datasets are only available at coarse resolution (e.g. 1-4 km) which limits their utility. Publicly available satellite imagery combined with computer vision enable much higher precision. We provide a global coastline dataset at 10 meter resolution, a 100+ fold improvement in precision over existing data. To handle the computational challenge of querying at such an increased scale, we introduce a new library: Layered Iterative Geospatial Hierarchical Terrain-Oriented Unified Search Engine (Lighthouse). Lighthouse is both exceptionally fast and resource-efficient, requiring only 1 CPU and 2 GB of RAM to achieve millisecond online inference, making it well suited for real-time applications in resource-constrained environments.
comment: 8 pages, 7 figures, 1 table, ICML 2025 ML4RS
☆ ConciseHint: Boosting Efficient Reasoning via Continuous Concise Hints during Generation
Recent advancements in large reasoning models (LRMs) like DeepSeek-R1 and OpenAI o1 series have achieved notable performance enhancements on complex reasoning tasks by scaling up the generation length by Chain-of-Thought (CoT). However, an emerging issue is their inclination to produce excessively verbose reasoning processes, leading to the inefficiency problem. Existing literature on improving efficiency mainly adheres to the before-reasoning paradigms such as prompting and reasoning or fine-tuning and reasoning, but ignores the promising direction of directly encouraging the model to speak concisely by intervening during the generation of reasoning. In order to fill the blank, we propose a framework dubbed ConciseHint, which continuously encourages the reasoning model to speak concisely by injecting the textual hint (manually designed or trained on the concise data) during the token generation of the reasoning process. Besides, ConciseHint is adaptive to the complexity of the query by adaptively adjusting the hint intensity, which ensures it will not undermine model performance. Experiments on the state-of-the-art LRMs, including DeepSeek-R1 and Qwen-3 series, demonstrate that our method can effectively produce concise reasoning processes while maintaining performance well. For instance, we achieve a reduction ratio of 65\% for the reasoning length on GSM8K benchmark with Qwen-3 4B with nearly no accuracy loss.
comment: Codes are available at https://github.com/tsa18/ConciseHint
☆ PicoSAM2: Low-Latency Segmentation In-Sensor for Edge Vision Applications
Real-time, on-device segmentation is critical for latency-sensitive and privacy-aware applications like smart glasses and IoT devices. We introduce PicoSAM2, a lightweight (1.3M parameters, 336M MACs) promptable segmentation model optimized for edge and in-sensor execution, including the Sony IMX500. It builds on a depthwise separable U-Net, with knowledge distillation and fixed-point prompt encoding to learn from the Segment Anything Model 2 (SAM2). On COCO and LVIS, it achieves 51.9% and 44.9% mIoU, respectively. The quantized model (1.22MB) runs at 14.3 ms on the IMX500-achieving 86 MACs/cycle, making it the only model meeting both memory and compute constraints for in-sensor deployment. Distillation boosts LVIS performance by +3.5% mIoU and +5.1% mAP. These results demonstrate that efficient, promptable segmentation is feasible directly on-camera, enabling privacy-preserving vision without cloud or host processing.
☆ OC-SOP: Enhancing Vision-Based 3D Semantic Occupancy Prediction by Object-Centric Awareness
Autonomous driving perception faces significant challenges due to occlusions and incomplete scene data in the environment. To overcome these issues, the task of semantic occupancy prediction (SOP) is proposed, which aims to jointly infer both the geometry and semantic labels of a scene from images. However, conventional camera-based methods typically treat all categories equally and primarily rely on local features, leading to suboptimal predictions, especially for dynamic foreground objects. To address this, we propose Object-Centric SOP (OC-SOP), a framework that integrates high-level object-centric cues extracted via a detection branch into the semantic occupancy prediction pipeline. This object-centric integration significantly enhances the prediction accuracy for foreground objects and achieves state-of-the-art performance among all categories on SemanticKITTI.
comment: under review
☆ ViDAR: Video Diffusion-Aware 4D Reconstruction From Monocular Inputs
Dynamic Novel View Synthesis aims to generate photorealistic views of moving subjects from arbitrary viewpoints. This task is particularly challenging when relying on monocular video, where disentangling structure from motion is ill-posed and supervision is scarce. We introduce Video Diffusion-Aware Reconstruction (ViDAR), a novel 4D reconstruction framework that leverages personalised diffusion models to synthesise a pseudo multi-view supervision signal for training a Gaussian splatting representation. By conditioning on scene-specific features, ViDAR recovers fine-grained appearance details while mitigating artefacts introduced by monocular ambiguity. To address the spatio-temporal inconsistency of diffusion-based supervision, we propose a diffusion-aware loss function and a camera pose optimisation strategy that aligns synthetic views with the underlying scene geometry. Experiments on DyCheck, a challenging benchmark with extreme viewpoint variation, show that ViDAR outperforms all state-of-the-art baselines in visual quality and geometric consistency. We further highlight ViDAR's strong improvement over baselines on dynamic regions and provide a new benchmark to compare performance in reconstructing motion-rich parts of the scene. Project page: https://vidar-4d.github.io
☆ Focus Your Attention: Towards Data-Intuitive Lightweight Vision Transformers
The evolution of Vision Transformers has led to their widespread adaptation to different domains. Despite large-scale success, there remain significant challenges including their reliance on extensive computational and memory resources for pre-training on huge datasets as well as difficulties in task-specific transfer learning. These limitations coupled with energy inefficiencies mainly arise due to the computation-intensive self-attention mechanism. To address these issues, we propose a novel Super-Pixel Based Patch Pooling (SPPP) technique that generates context-aware, semantically rich, patch embeddings to effectively reduce the architectural complexity and improve efficiency. Additionally, we introduce the Light Latent Attention (LLA) module in our pipeline by integrating latent tokens into the attention mechanism allowing cross-attention operations to significantly reduce the time and space complexity of the attention module. By leveraging the data-intuitive patch embeddings coupled with dynamic positional encodings, our approach adaptively modulates the cross-attention process to focus on informative regions while maintaining the global semantic structure. This targeted attention improves training efficiency and accelerates convergence. Notably, the SPPP module is lightweight and can be easily integrated into existing transformer architectures. Extensive experiments demonstrate that our proposed architecture provides significant improvements in terms of computational efficiency while achieving comparable results with the state-of-the-art approaches, highlighting its potential for energy-efficient transformers suitable for edge deployment. (The code is available on our GitHub repository: https://github.com/zser092/Focused-Attention-ViT).
☆ 3D Arena: An Open Platform for Generative 3D Evaluation
Evaluating Generative 3D models remains challenging due to misalignment between automated metrics and human perception of quality. Current benchmarks rely on image-based metrics that ignore 3D structure or geometric measures that fail to capture perceptual appeal and real-world utility. To address this gap, we present 3D Arena, an open platform for evaluating image-to-3D generation models through large-scale human preference collection using pairwise comparisons. Since launching in June 2024, the platform has collected 123,243 votes from 8,096 users across 19 state-of-the-art models, establishing the largest human preference evaluation for Generative 3D. We contribute the iso3d dataset of 100 evaluation prompts and demonstrate quality control achieving 99.75% user authenticity through statistical fraud detection. Our ELO-based ranking system provides reliable model assessment, with the platform becoming an established evaluation resource. Through analysis of this preference data, we present insights into human preference patterns. Our findings reveal preferences for visual presentation features, with Gaussian splat outputs achieving a 16.6 ELO advantage over meshes and textured models receiving a 144.1 ELO advantage over untextured models. We provide recommendations for improving evaluation methods, including multi-criteria assessment, task-oriented evaluation, and format-aware comparison. The platform's community engagement establishes 3D Arena as a benchmark for the field while advancing understanding of human-centered evaluation in Generative 3D.
comment: 9 pages, 2 figures
☆ SWA-SOP: Spatially-aware Window Attention for Semantic Occupancy Prediction in Autonomous Driving
Perception systems in autonomous driving rely on sensors such as LiDAR and cameras to perceive the 3D environment. However, due to occlusions and data sparsity, these sensors often fail to capture complete information. Semantic Occupancy Prediction (SOP) addresses this challenge by inferring both occupancy and semantics of unobserved regions. Existing transformer-based SOP methods lack explicit modeling of spatial structure in attention computation, resulting in limited geometric awareness and poor performance in sparse or occluded areas. To this end, we propose Spatially-aware Window Attention (SWA), a novel mechanism that incorporates local spatial context into attention. SWA significantly improves scene completion and achieves state-of-the-art results on LiDAR-based SOP benchmarks. We further validate its generality by integrating SWA into a camera-based SOP pipeline, where it also yields consistent gains across modalities.
comment: under reviewed
☆ USVTrack: USV-Based 4D Radar-Camera Tracking Dataset for Autonomous Driving in Inland Waterways
Object tracking in inland waterways plays a crucial role in safe and cost-effective applications, including waterborne transportation, sightseeing tours, environmental monitoring and surface rescue. Our Unmanned Surface Vehicle (USV), equipped with a 4D radar, a monocular camera, a GPS, and an IMU, delivers robust tracking capabilities in complex waterborne environments. By leveraging these sensors, our USV collected comprehensive object tracking data, which we present as USVTrack, the first 4D radar-camera tracking dataset tailored for autonomous driving in new generation waterborne transportation systems. Our USVTrack dataset presents rich scenarios, featuring diverse various waterways, varying times of day, and multiple weather and lighting conditions. Moreover, we present a simple but effective radar-camera matching method, termed RCM, which can be plugged into popular two-stage association trackers. Experimental results utilizing RCM demonstrate the effectiveness of the radar-camera matching in improving object tracking accuracy and reliability for autonomous driving in waterborne environments. The USVTrack dataset is public on https://usvtrack.github.io.
comment: Accepted by IROS
☆ Deep CNN Face Matchers Inherently Support Revocable Biometric Templates
One common critique of biometric authentication is that if an individual's biometric is compromised, then the individual has no recourse. The concept of revocable biometrics was developed to address this concern. A biometric scheme is revocable if an individual can have their current enrollment in the scheme revoked, so that the compromised biometric template becomes worthless, and the individual can re-enroll with a new template that has similar recognition power. We show that modern deep CNN face matchers inherently allow for a robust revocable biometric scheme. For a given state-of-the-art deep CNN backbone and training set, it is possible to generate an unlimited number of distinct face matcher models that have both (1) equivalent recognition power, and (2) strongly incompatible biometric templates. The equivalent recognition power extends to the point of generating impostor and genuine distributions that have the same shape and placement on the similarity dimension, meaning that the models can share a similarity threshold for a 1-in-10,000 false match rate. The biometric templates from different model instances are so strongly incompatible that the cross-instance similarity score for images of the same person is typically lower than the same-instance similarity score for images of different persons. That is, a stolen biometric template that is revoked is of less value in attempting to match the re-enrolled identity than the average impostor template. We also explore the feasibility of using a Vision Transformer (ViT) backbone-based face matcher in the revocable biometric system proposed in this work and demonstrate that it is less suitable compared to typical ResNet-based deep CNN backbones.
☆ TDACloud: Point Cloud Recognition Using Topological Data Analysis
Point cloud-based object/place recognition remains a problem of interest in applications such as autonomous driving, scene reconstruction, and localization. Extracting meaningful local descriptors from a query point cloud that can be matched with the descriptors of the collected point clouds is a challenging problem. Furthermore, when the query point cloud is noisy or has been transformed (e.g., rotated), it adds to the complexity. To this end, we propose a novel methodology, named TDACloud, using Topological Data Analysis (TDA) for local descriptor extraction from a point cloud, which does not need resource-intensive GPU-based machine learning training. More specifically, we used the ATOL vectorization method to generate vectors for point clouds. Unlike voxelization, our proposed technique can take raw point clouds as inputs and outputs a fixed-size TDA-descriptor vector. To test the quality of the proposed TDACloud technique, we have implemented it on multiple real-world (e.g., Oxford RobotCar, KITTI-360) and realistic (e.g., ShapeNet) point cloud datasets for object and place recognition. We have also tested TDACloud on noisy and transformed test cases where the query point cloud has been scaled, translated, or rotated. Our results demonstrate high recognition accuracies in noisy conditions and large-scale real-world place recognition while outperforming the baselines by up to approximately 14%.
☆ Including Semantic Information via Word Embeddings for Skeleton-based Action Recognition
Effective human action recognition is widely used for cobots in Industry 4.0 to assist in assembly tasks. However, conventional skeleton-based methods often lose keypoint semantics, limiting their effectiveness in complex interactions. In this work, we introduce a novel approach to skeleton-based action recognition that enriches input representations by leveraging word embeddings to encode semantic information. Our method replaces one-hot encodings with semantic volumes, enabling the model to capture meaningful relationships between joints and objects. Through extensive experiments on multiple assembly datasets, we demonstrate that our approach significantly improves classification performance, and enhances generalization capabilities by simultaneously supporting different skeleton types and object classes. Our findings highlight the potential of incorporating semantic information to enhance skeleton-based action recognition in dynamic and diverse environments.
comment: IEEE International Joint Conference on Neural Networks (IJCNN) 2025
☆ Temporal Neural Cellular Automata: Application to modeling of contrast enhancement in breast MRI MICCAI 2025
Synthetic contrast enhancement offers fast image acquisition and eliminates the need for intravenous injection of contrast agent. This is particularly beneficial for breast imaging, where long acquisition times and high cost are significantly limiting the applicability of magnetic resonance imaging (MRI) as a widespread screening modality. Recent studies have demonstrated the feasibility of synthetic contrast generation. However, current state-of-the-art (SOTA) methods lack sufficient measures for consistent temporal evolution. Neural cellular automata (NCA) offer a robust and lightweight architecture to model evolving patterns between neighboring cells or pixels. In this work we introduce TeNCA (Temporal Neural Cellular Automata), which extends and further refines NCAs to effectively model temporally sparse, non-uniformly sampled imaging data. To achieve this, we advance the training strategy by enabling adaptive loss computation and define the iterative nature of the method to resemble a physical progression in time. This conditions the model to learn a physiologically plausible evolution of contrast enhancement. We rigorously train and test TeNCA on a diverse breast MRI dataset and demonstrate its effectiveness, surpassing the performance of existing methods in generation of images that align with ground truth post-contrast sequences.
comment: MICCAI 2025
☆ Matrix-Game: Interactive World Foundation Model
We introduce Matrix-Game, an interactive world foundation model for controllable game world generation. Matrix-Game is trained using a two-stage pipeline that first performs large-scale unlabeled pretraining for environment understanding, followed by action-labeled training for interactive video generation. To support this, we curate Matrix-Game-MC, a comprehensive Minecraft dataset comprising over 2,700 hours of unlabeled gameplay video clips and over 1,000 hours of high-quality labeled clips with fine-grained keyboard and mouse action annotations. Our model adopts a controllable image-to-world generation paradigm, conditioned on a reference image, motion context, and user actions. With over 17 billion parameters, Matrix-Game enables precise control over character actions and camera movements, while maintaining high visual quality and temporal coherence. To evaluate performance, we develop GameWorld Score, a unified benchmark measuring visual quality, temporal quality, action controllability, and physical rule understanding for Minecraft world generation. Extensive experiments show that Matrix-Game consistently outperforms prior open-source Minecraft world models (including Oasis and MineWorld) across all metrics, with particularly strong gains in controllability and physical consistency. Double-blind human evaluations further confirm the superiority of Matrix-Game, highlighting its ability to generate perceptually realistic and precisely controllable videos across diverse game scenarios. To facilitate future research on interactive image-to-world generation, we will open-source the Matrix-Game model weights and the GameWorld Score benchmark at https://github.com/SkyworkAI/Matrix-Game.
comment: Technical Report
☆ SIM-Net: A Multimodal Fusion Network Using Inferred 3D Object Shape Point Clouds from RGB Images for 2D Classification
We introduce the Shape-Image Multimodal Network (SIM-Net), a novel 2D image classification architecture that integrates 3D point cloud representations inferred directly from RGB images. Our key contribution lies in a pixel-to-point transformation that converts 2D object masks into 3D point clouds, enabling the fusion of texture-based and geometric features for enhanced classification performance. SIM-Net is particularly well-suited for the classification of digitized herbarium specimens (a task made challenging by heterogeneous backgrounds), non-plant elements, and occlusions that compromise conventional image-based models. To address these issues, SIM-Net employs a segmentation-based preprocessing step to extract object masks prior to 3D point cloud generation. The architecture comprises a CNN encoder for 2D image features and a PointNet-based encoder for geometric features, which are fused into a unified latent space. Experimental evaluations on herbarium datasets demonstrate that SIM-Net consistently outperforms ResNet101, achieving gains of up to 9.9% in accuracy and 12.3% in F-score. It also surpasses several transformer-based state-of-the-art architectures, highlighting the benefits of incorporating 3D structural reasoning into 2D image classification tasks.
comment: 25 pages, 9 figures, 14 tables
☆ Multi-Scale Spectral Attention Module-based Hyperspectral Segmentation in Autonomous Driving Scenarios
Recent advances in autonomous driving (AD) have highlighted the potential of Hyperspectral Imaging (HSI) for enhanced environmental perception, particularly in challenging weather and lighting conditions. However, efficiently processing its high-dimensional spectral data remains a significant challenge. This paper introduces a Multi-scale Spectral Attention Module (MSAM) that enhances spectral feature extraction through three parallel 1D convolutions with varying kernel sizes between 1 to 11, coupled with an adaptive feature aggregation mechanism. By integrating MSAM into UNet's skip connections (UNet-SC), our proposed UNet-MSAM achieves significant improvements in semantic segmentation performance across multiple HSI datasets: HyKo-VIS v2, HSI-Drive v2, and Hyperspectral City v2. Our comprehensive experiments demonstrate that with minimal computational overhead (on average 0.02% in parameters and 0.82% GFLOPS), UNet-MSAM consistently outperforms UNet-SC, achieving average improvements of 3.61% in mean IoU and 3.80% in mF1 across the three datasets. Through extensive ablation studies, we have established that multi-scale kernel combinations perform better than single-scale configurations. These findings demonstrate the potential of HSI processing for AD and provide valuable insights into designing robust, multi-scale spectral feature extractors for real-world applications.
☆ DuetGen: Music Driven Two-Person Dance Generation via Hierarchical Masked Modeling
We present DuetGen, a novel framework for generating interactive two-person dances from music. The key challenge of this task lies in the inherent complexities of two-person dance interactions, where the partners need to synchronize both with each other and with the music. Inspired by the recent advances in motion synthesis, we propose a two-stage solution: encoding two-person motions into discrete tokens and then generating these tokens from music. To effectively capture intricate interactions, we represent both dancers' motions as a unified whole to learn the necessary motion tokens, and adopt a coarse-to-fine learning strategy in both the stages. Our first stage utilizes a VQ-VAE that hierarchically separates high-level semantic features at a coarse temporal resolution from low-level details at a finer resolution, producing two discrete token sequences at different abstraction levels. Subsequently, in the second stage, two generative masked transformers learn to map music signals to these dance tokens: the first producing high-level semantic tokens, and the second, conditioned on music and these semantic tokens, producing the low-level tokens. We train both transformers to learn to predict randomly masked tokens within the sequence, enabling them to iteratively generate motion tokens by filling an empty token sequence during inference. Through the hierarchical masked modeling and dedicated interaction representation, DuetGen achieves the generation of synchronized and interactive two-person dances across various genres. Extensive experiments and user studies on a benchmark duet dance dataset demonstrate state-of-the-art performance of DuetGen in motion realism, music-dance alignment, and partner coordination.
comment: 11 pages, 7 figures, 2 tables, accepted in ACM Siggraph 2025 conference track
☆ MARL-MambaContour: Unleashing Multi-Agent Deep Reinforcement Learning for Active Contour Optimization in Medical Image Segmentation
We introduce MARL-MambaContour, the first contour-based medical image segmentation framework based on Multi-Agent Reinforcement Learning (MARL). Our approach reframes segmentation as a multi-agent cooperation task focused on generate topologically consistent object-level contours, addressing the limitations of traditional pixel-based methods which could lack topological constraints and holistic structural awareness of anatomical regions. Each contour point is modeled as an autonomous agent that iteratively adjusts its position to align precisely with the target boundary, enabling adaptation to blurred edges and intricate morphologies common in medical images. This iterative adjustment process is optimized by a contour-specific Soft Actor-Critic (SAC) algorithm, further enhanced with the Entropy Regularization Adjustment Mechanism (ERAM) which dynamically balance agent exploration with contour smoothness. Furthermore, the framework incorporates a Mamba-based policy network featuring a novel Bidirectional Cross-attention Hidden-state Fusion Mechanism (BCHFM). This mechanism mitigates potential memory confusion limitations associated with long-range modeling in state space models, thereby facilitating more accurate inter-agent information exchange and informed decision-making. Extensive experiments on five diverse medical imaging datasets demonstrate the state-of-the-art performance of MARL-MambaContour, highlighting its potential as an accurate and robust clinical application.
☆ MCN-SLAM: Multi-Agent Collaborative Neural SLAM with Hybrid Implicit Neural Scene Representation
Neural implicit scene representations have recently shown promising results in dense visual SLAM. However, existing implicit SLAM algorithms are constrained to single-agent scenarios, and fall difficulties in large-scale scenes and long sequences. Existing NeRF-based multi-agent SLAM frameworks cannot meet the constraints of communication bandwidth. To this end, we propose the first distributed multi-agent collaborative neural SLAM framework with hybrid scene representation, distributed camera tracking, intra-to-inter loop closure, and online distillation for multiple submap fusion. A novel triplane-grid joint scene representation method is proposed to improve scene reconstruction. A novel intra-to-inter loop closure method is designed to achieve local (single-agent) and global (multi-agent) consistency. We also design a novel online distillation method to fuse the information of different submaps to achieve global consistency. Furthermore, to the best of our knowledge, there is no real-world dataset for NeRF-based/GS-based SLAM that provides both continuous-time trajectories groundtruth and high-accuracy 3D meshes groundtruth. To this end, we propose the first real-world Dense slam (DES) dataset covering both single-agent and multi-agent scenarios, ranging from small rooms to large-scale outdoor scenes, with high-accuracy ground truth for both 3D mesh and continuous-time camera trajectory. This dataset can advance the development of the research in both SLAM, 3D reconstruction, and visual foundation model. Experiments on various datasets demonstrate the superiority of the proposed method in both mapping, tracking, and communication. The dataset and code will open-source on https://github.com/dtc111111/mcnslam.
☆ Reconstructing Tornadoes in 3D with Gaussian Splatting
Accurately reconstructing the 3D structure of tornadoes is critically important for understanding and preparing for this highly destructive weather phenomenon. While modern 3D scene reconstruction techniques, such as 3D Gaussian splatting (3DGS), could provide a valuable tool for reconstructing the 3D structure of tornados, at present we are critically lacking a controlled tornado dataset with which to develop and validate these tools. In this work we capture and release a novel multiview dataset of a small lab-based tornado. We demonstrate one can effectively reconstruct and visualize the 3D structure of this tornado using 3DGS.
☆ TCDiff++: An End-to-end Trajectory-Controllable Diffusion Model for Harmonious Music-Driven Group Choreography
Music-driven dance generation has garnered significant attention due to its wide range of industrial applications, particularly in the creation of group choreography. During the group dance generation process, however, most existing methods still face three primary issues: multi-dancer collisions, single-dancer foot sliding and abrupt swapping in the generation of long group dance. In this paper, we propose TCDiff++, a music-driven end-to-end framework designed to generate harmonious group dance. Specifically, to mitigate multi-dancer collisions, we utilize a dancer positioning embedding to better maintain the relative positioning among dancers. Additionally, we incorporate a distance-consistency loss to ensure that inter-dancer distances remain within plausible ranges. To address the issue of single-dancer foot sliding, we introduce a swap mode embedding to indicate dancer swapping patterns and design a Footwork Adaptor to refine raw motion, thereby minimizing foot sliding. For long group dance generation, we present a long group diffusion sampling strategy that reduces abrupt position shifts by injecting positional information into the noisy input. Furthermore, we integrate a Sequence Decoder layer to enhance the model's ability to selectively process long sequences. Extensive experiments demonstrate that our TCDiff++ achieves state-of-the-art performance, particularly in long-duration scenarios, ensuring high-quality and coherent group dance generation.
☆ MedSeg-R: Medical Image Segmentation with Clinical Reasoning
Medical image segmentation is challenging due to overlapping anatomies with ambiguous boundaries and a severe imbalance between the foreground and background classes, which particularly affects the delineation of small lesions. Existing methods, including encoder-decoder networks and prompt-driven variants of the Segment Anything Model (SAM), rely heavily on local cues or user prompts and lack integrated semantic priors, thus failing to generalize well to low-contrast or overlapping targets. To address these issues, we propose MedSeg-R, a lightweight, dual-stage framework inspired by inspired by clinical reasoning. Its cognitive stage interprets medical report into structured semantic priors (location, texture, shape), which are fused via transformer block. In the perceptual stage, these priors modulate the SAM backbone: spatial attention highlights likely lesion regions, dynamic convolution adapts feature filters to expected textures, and deformable sampling refines spatial support. By embedding this fine-grained guidance early, MedSeg-R disentangles inter-class confusion and amplifies minority-class cues, greatly improving sensitivity to small lesions. In challenging benchmarks, MedSeg-R produces large Dice improvements in overlapping and ambiguous structures, demonstrating plug-and-play compatibility with SAM-based systems.
☆ Benchmarking histopathology foundation models in a multi-center dataset for skin cancer subtyping
Pretraining on large-scale, in-domain datasets grants histopathology foundation models (FM) the ability to learn task-agnostic data representations, enhancing transfer learning on downstream tasks. In computational pathology, automated whole slide image analysis requires multiple instance learning (MIL) frameworks due to the gigapixel scale of the slides. The diversity among histopathology FMs has highlighted the need to design real-world challenges for evaluating their effectiveness. To bridge this gap, our work presents a novel benchmark for evaluating histopathology FMs as patch-level feature extractors within a MIL classification framework. For that purpose, we leverage the AI4SkIN dataset, a multi-center cohort encompassing slides with challenging cutaneous spindle cell neoplasm subtypes. We also define the Foundation Model - Silhouette Index (FM-SI), a novel metric to measure model consistency against distribution shifts. Our experimentation shows that extracting less biased features enhances classification performance, especially in similarity-based MIL classifiers.
comment: Accepeted for oral presentation at Medical Image Understanding and Analysis (MIUA) 2025
☆ Historical Report Guided Bi-modal Concurrent Learning for Pathology Report Generation
Automated pathology report generation from Whole Slide Images (WSIs) faces two key challenges: (1) lack of semantic content in visual features and (2) inherent information redundancy in WSIs. To address these issues, we propose a novel Historical Report Guided \textbf{Bi}-modal Concurrent Learning Framework for Pathology Report \textbf{Gen}eration (BiGen) emulating pathologists' diagnostic reasoning, consisting of: (1) A knowledge retrieval mechanism to provide rich semantic content, which retrieves WSI-relevant knowledge from pre-built medical knowledge bank by matching high-attention patches and (2) A bi-modal concurrent learning strategy instantiated via a learnable visual token and a learnable textual token to dynamically extract key visual features and retrieved knowledge, where weight-shared layers enable cross-modal alignment between visual features and knowledge features. Our multi-modal decoder integrates both modals for comprehensive diagnostic reports generation. Experiments on the PathText (BRCA) dataset demonstrate our framework's superiority, achieving state-of-the-art performance with 7.4\% relative improvement in NLP metrics and 19.1\% enhancement in classification metrics for Her-2 prediction versus existing methods. Ablation studies validate the necessity of our proposed modules, highlighting our method's ability to provide WSI-relevant rich semantic content and suppress information redundancy in WSIs. Code is publicly available at https://github.com/DeepMed-Lab-ECNU/BiGen.
☆ RDPO: Real Data Preference Optimization for Physics Consistency Video Generation
Video generation techniques have achieved remarkable advancements in visual quality, yet faithfully reproducing real-world physics remains elusive. Preference-based model post-training may improve physical consistency, but requires costly human-annotated datasets or reward models that are not yet feasible. To address these challenges, we present Real Data Preference Optimisation (RDPO), an annotation-free framework that distills physical priors directly from real-world videos. Specifically, the proposed RDPO reverse-samples real video sequences with a pre-trained generator to automatically build preference pairs that are statistically distinguishable in terms of physical correctness. A multi-stage iterative training schedule then guides the generator to obey physical laws increasingly well. Benefiting from the dynamic information explored from real videos, our proposed RDPO significantly improves the action coherence and physical realism of the generated videos. Evaluations on multiple benchmarks and human evaluations have demonstrated that RDPO achieves improvements across multiple dimensions. The source code and demonstration of this paper are available at: https://wwenxu.github.io/RDPO/
comment: 16 pages, 10 figures
☆ BulletGen: Improving 4D Reconstruction with Bullet-Time Generation
Transforming casually captured, monocular videos into fully immersive dynamic experiences is a highly ill-posed task, and comes with significant challenges, e.g., reconstructing unseen regions, and dealing with the ambiguity in monocular depth estimation. In this work we introduce BulletGen, an approach that takes advantage of generative models to correct errors and complete missing information in a Gaussian-based dynamic scene representation. This is done by aligning the output of a diffusion-based video generation model with the 4D reconstruction at a single frozen "bullet-time" step. The generated frames are then used to supervise the optimization of the 4D Gaussian model. Our method seamlessly blends generative content with both static and dynamic scene components, achieving state-of-the-art results on both novel-view synthesis, and 2D/3D tracking tasks.
☆ No Training Wheels: Steering Vectors for Bias Correction at Inference Time
Neural network classifiers trained on datasets with uneven group representation often inherit class biases and learn spurious correlations. These models may perform well on average but consistently fail on atypical groups. For example, in hair color classification, datasets may over-represent females with blond hair, reinforcing stereotypes. Although various algorithmic and data-centric methods have been proposed to address such biases, they often require retraining or significant compute. In this work, we propose a cheap, training-free method inspired by steering vectors used to edit behaviors in large language models. We compute the difference in mean activations between majority and minority groups to define a "bias vector," which we subtract from the model's residual stream. This leads to reduced classification bias and improved worst-group accuracy. We explore multiple strategies for extracting and applying these vectors in transformer-like classifiers, showing that steering vectors, traditionally used in generative models, can also be effective in classification. More broadly, we showcase an extremely cheap, inference time, training free method to mitigate bias in classification models.
☆ SpaNN: Detecting Multiple Adversarial Patches on CNNs by Spanning Saliency Thresholds
State-of-the-art convolutional neural network models for object detection and image classification are vulnerable to physically realizable adversarial perturbations, such as patch attacks. Existing defenses have focused, implicitly or explicitly, on single-patch attacks, leaving their sensitivity to the number of patches as an open question or rendering them computationally infeasible or inefficient against attacks consisting of multiple patches in the worst cases. In this work, we propose SpaNN, an attack detector whose computational complexity is independent of the expected number of adversarial patches. The key novelty of the proposed detector is that it builds an ensemble of binarized feature maps by applying a set of saliency thresholds to the neural activations of the first convolutional layer of the victim model. It then performs clustering on the ensemble and uses the cluster features as the input to a classifier for attack detection. Contrary to existing detectors, SpaNN does not rely on a fixed saliency threshold for identifying adversarial regions, which makes it robust against white box adversarial attacks. We evaluate SpaNN on four widely used data sets for object detection and classification, and our results show that SpaNN outperforms state-of-the-art defenses by up to 11 and 27 percentage points in the case of object detection and the case of image classification, respectively. Our code is available at https://github.com/gerkbyrd/SpaNN.
comment: 2025 IEEE Conference on Secure and Trustworthy Machine Learning (SaTML2025)
☆ Resampling Augmentation for Time Series Contrastive Learning: Application to Remote Sensing ICML 2025
Given the abundance of unlabeled Satellite Image Time Series (SITS) and the scarcity of labeled data, contrastive self-supervised pretraining emerges as a natural tool to leverage this vast quantity of unlabeled data. However, designing effective data augmentations for contrastive learning remains challenging for time series. We introduce a novel resampling-based augmentation strategy that generates positive pairs by upsampling time series and extracting disjoint subsequences while preserving temporal coverage. We validate our approach on multiple agricultural classification benchmarks using Sentinel-2 imagery, showing that it outperforms common alternatives such as jittering, resizing, and masking. Further, we achieve state-of-the-art performance on the S2-Agri100 dataset without employing spatial information or temporal encodings, surpassing more complex masked-based SSL frameworks. Our method offers a simple, yet effective, contrastive learning augmentation for remote sensing time series.
comment: 10 pages, 2 figures, accepted at 42nd International Conference on Machine Learning (ICML 2025) Terrabytes workshop
☆ 2D Triangle Splatting for Direct Differentiable Mesh Training
Differentiable rendering with 3D Gaussian primitives has emerged as a powerful method for reconstructing high-fidelity 3D scenes from multi-view images. While it offers improvements over NeRF-based methods, this representation still encounters challenges with rendering speed and advanced rendering effects, such as relighting and shadow rendering, compared to mesh-based models. In this paper, we propose 2D Triangle Splatting (2DTS), a novel method that replaces 3D Gaussian primitives with 2D triangle facelets. This representation naturally forms a discrete mesh-like structure while retaining the benefits of continuous volumetric modeling. By incorporating a compactness parameter into the triangle primitives, we enable direct training of photorealistic meshes. Our experimental results demonstrate that our triangle-based method, in its vanilla version (without compactness tuning), achieves higher fidelity compared to state-of-the-art Gaussian-based methods. Furthermore, our approach produces reconstructed meshes with superior visual quality compared to existing mesh reconstruction methods.
comment: 13 pages, 8 figures
☆ VisualChef: Generating Visual Aids in Cooking via Mask Inpainting
Cooking requires not only following instructions but also understanding, executing, and monitoring each step - a process that can be challenging without visual guidance. Although recipe images and videos offer helpful cues, they often lack consistency in focus, tools, and setup. To better support the cooking process, we introduce VisualChef, a method for generating contextual visual aids tailored to cooking scenarios. Given an initial frame and a specified action, VisualChef generates images depicting both the action's execution and the resulting appearance of the object, while preserving the initial frame's environment. Previous work aims to integrate knowledge extracted from large language models by generating detailed textual descriptions to guide image generation, which requires fine-grained visual-textual alignment and involves additional annotations. In contrast, VisualChef simplifies alignment through mask-based visual grounding. Our key insight is identifying action-relevant objects and classifying them to enable targeted modifications that reflect the intended action and outcome while maintaining a consistent environment. In addition, we propose an automated pipeline to extract high-quality initial, action, and final state frames. We evaluate VisualChef quantitatively and qualitatively on three egocentric video datasets and show its improvements over state-of-the-art methods.
☆ VQ-Insight: Teaching VLMs for AI-Generated Video Quality Understanding via Progressive Visual Reinforcement Learning
Recent advances in AI-generated content (AIGC) have led to the emergence of powerful text-to-video generation models. Despite these successes, evaluating the quality of AIGC-generated videos remains challenging due to limited generalization, lack of temporal awareness, heavy reliance on large-scale annotated datasets, and the lack of effective interaction with generation models. Most current approaches rely on supervised finetuning of vision-language models (VLMs), which often require large-scale annotated datasets and tend to decouple understanding and generation. To address these shortcomings, we propose VQ-Insight, a novel reasoning-style VLM framework for AIGC video quality assessment. Our approach features: (1) a progressive video quality learning scheme that combines image quality warm-up, general task-specific temporal learning, and joint optimization with the video generation model; (2) the design of multi-dimension scoring rewards, preference comparison rewards, and temporal modeling rewards to enhance both generalization and specialization in video quality evaluation. Extensive experiments demonstrate that VQ-Insight consistently outperforms state-of-the-art baselines in preference comparison, multi-dimension scoring, and natural video scoring, bringing significant improvements for video generation tasks.
comment: Technical Report
☆ Object-aware Sound Source Localization via Audio-Visual Scene Understanding CVPR 2025
Audio-visual sound source localization task aims to spatially localize sound-making objects within visual scenes by integrating visual and audio cues. However, existing methods struggle with accurately localizing sound-making objects in complex scenes, particularly when visually similar silent objects coexist. This limitation arises primarily from their reliance on simple audio-visual correspondence, which does not capture fine-grained semantic differences between sound-making and silent objects. To address these challenges, we propose a novel sound source localization framework leveraging Multimodal Large Language Models (MLLMs) to generate detailed contextual information that explicitly distinguishes between sound-making foreground objects and silent background objects. To effectively integrate this detailed information, we introduce two novel loss functions: Object-aware Contrastive Alignment (OCA) loss and Object Region Isolation (ORI) loss. Extensive experimental results on MUSIC and VGGSound datasets demonstrate the effectiveness of our approach, significantly outperforming existing methods in both single-source and multi-source localization scenarios. Code and generated detailed contextual information are available at: https://github.com/VisualAIKHU/OA-SSL.
comment: Accepted at CVPR 2025
☆ Normality Prior Guided Multi-Semantic Fusion Network for Unsupervised Image Anomaly Detection
Recently, detecting logical anomalies is becoming a more challenging task compared to detecting structural ones. Existing encoder decoder based methods typically compress inputs into low-dimensional bottlenecks on the assumption that the compression process can effectively suppress the transmission of logical anomalies to the decoder. However, logical anomalies present a particular difficulty because, while their local features often resemble normal semantics, their global semantics deviate significantly from normal patterns. Thanks to the generalisation capabilities inherent in neural networks, these abnormal semantic features can propagate through low-dimensional bottlenecks. This ultimately allows the decoder to reconstruct anomalous images with misleading fidelity. To tackle the above challenge, we propose a novel normality prior guided multi-semantic fusion network for unsupervised anomaly detection. Instead of feeding the compressed bottlenecks to the decoder directly, we introduce the multi-semantic features of normal samples into the reconstruction process. To this end, we first extract abstract global semantics of normal cases by a pre-trained vision-language network, then the learnable semantic codebooks are constructed to store representative feature vectors of normal samples by vector quantisation. Finally, the above multi-semantic features are fused and employed as input to the decoder to guide the reconstruction of anomalies to approximate normality. Extensive experiments are conducted to validate the effectiveness of our proposed method, and it achieves the SOTA performance on the MVTec LOCO AD dataset with improvements of 5.7% in pixel-sPRO and 2.6% in image-AUROC. The source code is available at https://github.com/Xmh-L/NPGMF.
☆ Geometry-aware Distance Measure for Diverse Hierarchical Structures in Hyperbolic Spaces
Learning in hyperbolic spaces has attracted increasing attention due to its superior ability to model hierarchical structures of data. Most existing hyperbolic learning methods use fixed distance measures for all data, assuming a uniform hierarchy across all data points. However, real-world hierarchical structures exhibit significant diversity, making this assumption overly restrictive. In this paper, we propose a geometry-aware distance measure in hyperbolic spaces, which dynamically adapts to varying hierarchical structures. Our approach derives the distance measure by generating tailored projections and curvatures for each pair of data points, effectively mapping them to an appropriate hyperbolic space. We introduce a revised low-rank decomposition scheme and a hard-pair mining mechanism to mitigate the computational cost of pair-wise distance computation without compromising accuracy. We present an upper bound on the low-rank approximation error using Talagrand's concentration inequality, ensuring theoretical robustness. Extensive experiments on standard image classification (MNIST, CIFAR-10 and CIFAR-100), hierarchical classification (5-level CIFAR-100), and few-shot learning tasks (mini-ImageNet, tiered-ImageNet) demonstrate the effectiveness of our method. Our approach consistently outperforms learning methods that use fixed distance measures, with notable improvements on few-shot learning tasks, where it achieves over 5\% gains on mini-ImageNet. The results reveal that adaptive distance measures better capture diverse hierarchical structures, with visualization showing clearer class boundaries and improved prototype separation in hyperbolic spaces.
comment: 24 pages
☆ A Set-to-Set Distance Measure in Hyperbolic Space
We propose a hyperbolic set-to-set distance measure for computing dissimilarity between sets in hyperbolic space. While point-to-point distances in hyperbolic space effectively capture hierarchical relationships between data points, many real-world applications require comparing sets of hyperbolic data points, where the local structure and the global structure of the sets carry crucial semantic information. The proposed the \underline{h}yperbolic \underline{s}et-\underline{to}-\underline{s}et \underline{d}istance measure (HS2SD) integrates both global and local structural information: global structure through geodesic distances between Einstein midpoints of hyperbolic sets, and local structure through topological characteristics of the two sets. To efficiently compute topological differences, we prove that using a finite Thue-Morse sequence of degree and adjacency matrices can serve as a robust approximation to capture the topological structure of a set. In this case, by considering the topological differences, HS2SD provides a more nuanced understanding of the relationships between two hyperbolic sets. Empirical evaluation on entity matching, standard image classification, and few-shot image classification demonstrates that our distance measure outperforms existing methods by effectively modeling the hierarchical and complex relationships inherent in hyperbolic sets.
comment: 24 pages
☆ Auto-Regressively Generating Multi-View Consistent Images
Generating multi-view images from human instructions is crucial for 3D content creation. The primary challenges involve maintaining consistency across multiple views and effectively synthesizing shapes and textures under diverse conditions. In this paper, we propose the Multi-View Auto-Regressive (MV-AR) method, which leverages an auto-regressive model to progressively generate consistent multi-view images from arbitrary prompts. Firstly, the next-token-prediction capability of the AR model significantly enhances its effectiveness in facilitating progressive multi-view synthesis. When generating widely-separated views, MV-AR can utilize all its preceding views to extract effective reference information. Subsequently, we propose a unified model that accommodates various prompts via architecture designing and training strategies. To address multiple conditions, we introduce condition injection modules for text, camera pose, image, and shape. To manage multi-modal conditions simultaneously, a progressive training strategy is employed. This strategy initially adopts the text-to-multi-view (t2mv) model as a baseline to enhance the development of a comprehensive X-to-multi-view (X2mv) model through the randomly dropping and combining conditions. Finally, to alleviate the overfitting problem caused by limited high-quality data, we propose the "Shuffle View" data augmentation technique, thus significantly expanding the training data by several magnitudes. Experiments demonstrate the performance and versatility of our MV-AR, which consistently generates consistent multi-view images across a range of conditions and performs on par with leading diffusion-based multi-view image generation models. Code and models will be released at https://github.com/MILab-PKU/MVAR.
☆ Multi-Scale Representation of Follicular Lymphoma Pathology Images in a Single Hyperbolic Space
We propose a method for representing malignant lymphoma pathology images, from high-resolution cell nuclei to low-resolution tissue images, within a single hyperbolic space using self-supervised learning. To capture morphological changes that occur across scales during disease progression, our approach embeds tissue and corresponding nucleus images close to each other based on inclusion relationships. Using the Poincar\'e ball as the feature space enables effective encoding of this hierarchical structure. The learned representations capture both disease state and cell type variations.
comment: 10 pages, 3 figures
☆ Enhancing Image Restoration Transformer via Adaptive Translation Equivariance
Translation equivariance is a fundamental inductive bias in image restoration, ensuring that translated inputs produce translated outputs. Attention mechanisms in modern restoration transformers undermine this property, adversely impacting both training convergence and generalization. To alleviate this issue, we propose two key strategies for incorporating translation equivariance: slide indexing and component stacking. Slide indexing maintains operator responses at fixed positions, with sliding window attention being a notable example, while component stacking enables the arrangement of translation-equivariant operators in parallel or sequentially, thereby building complex architectures while preserving translation equivariance. However, these strategies still create a dilemma in model design between the high computational cost of self-attention and the fixed receptive field associated with sliding window attention. To address this, we develop an adaptive sliding indexing mechanism to efficiently select key-value pairs for each query, which are then concatenated in parallel with globally aggregated key-value pairs. The designed network, called the Translation Equivariance Adaptive Transformer (TEAFormer), is assessed across a variety of image restoration tasks. The results highlight its superiority in terms of effectiveness, training convergence, and generalization.
☆ MedTVT-R1: A Multimodal LLM Empowering Medical Reasoning and Diagnosis
Accurate and interpretable multi-disease diagnosis remains a critical challenge in medical research, particularly when leveraging heterogeneous multimodal medical data. Current approaches often rely on single-modal data, limiting their ability to comprehensively understand complex diseases. To address this, we propose MedTVT-R1, a novel Multimodal Large Language Model (MLLM) framework designed to integrate clinical multimodal data for reasoning and diagnosing multiple diseases. We construct MedTVT-QA, a curated instruction dataset that provides question-answer pairs for physiological-level interpretations and disease-level diagnoses with a Chain of Evidence approach. MedTVT-R1 incorporates a modality perception layer to capture inter-modal dependencies and adaptively weight modality contributions. Additionally, we employ Group Relative Policy Optimization (GRPO)-based Reinforcement Fine-Tuning with a Jaccard Reward function to enhance diagnostic reasoning. Experimental results demonstrate MedTVT-R1's superiority in multimodal feature utilization and multi-disease diagnosis, offering significant potential for clinical applications such as diagnostic report generation and comorbidity reasoning. The dataset and code are available at https://github.com/keke-nice/MedTVT-R1.
☆ Generalizing Vision-Language Models to Novel Domains: A Comprehensive Survey
Recently, vision-language pretraining has emerged as a transformative technique that integrates the strengths of both visual and textual modalities, resulting in powerful vision-language models (VLMs). Leveraging web-scale pretraining data, these models exhibit strong zero-shot capabilities. However, their performance often deteriorates when confronted with domain-specific or specialized generalization tasks. To address this, a growing body of research focuses on transferring or generalizing the rich knowledge embedded in VLMs to various downstream applications. This survey aims to comprehensively summarize the generalization settings, methodologies, benchmarking and results in VLM literatures. Delving into the typical VLM structures, current literatures are categorized into prompt-based, parameter-based and feature-based methods according to the transferred modules. The differences and characteristics in each category are furthered summarized and discussed by revisiting the typical transfer learning (TL) settings, providing novel interpretations for TL in the era of VLMs. Popular benchmarks for VLM generalization are further introduced with thorough performance comparisons among the reviewed methods. Following the advances in large-scale generalizable pretraining, this survey also discusses the relations and differences between VLMs and up-to-date multimodal large language models (MLLM), e.g., DeepSeek-VL. By systematically reviewing the surging literatures in vision-language research from a novel and practical generalization prospective, this survey contributes to a clear landscape of current and future multimodal researches.
☆ Biased Teacher, Balanced Student
Knowledge Distillation (KD) is a widely adopted model compression technique where a compact student model learns from the output of a larger, pre-trained teacher. While effective in balanced settings, conventional KD suffers significantly when applied to long-tailed data distributions, as the teacher model tends to be biased toward head classes and provides limited supervision for tail classes. In this paper, we propose Long-Tailed Knowledge Distillation (LTKD), a novel framework tailored for class-imbalanced scenarios. We begin by reformulating the standard KD objective into two components: inter-group and intra-group Kullback-Leibler (KL) divergence, corresponding to the prediction distributions across and within class groups (head, medium, tail), respectively. This decomposition allows us to identify and quantify the sources of teacher bias. To address them, we introduce (1) a rebalanced inter-group loss that calibrates the teacher's group-level predictions and (2) a uniform intra-group loss that ensures equal contribution from all groups during distillation. Extensive experiments on CIFAR-100-LT, TinyImageNet-LT, and ImageNet-LT show that LTKD consistently outperforms existing KD methods, achieving significant gains in both overall accuracy and tail-class performance. Our results demonstrate that LTKD enables effective knowledge transfer even from biased teachers, making it a strong candidate for real-world deployment in resource-constrained and imbalanced settings.
comment: 12 pages, 5 figures. This work has been submitted to the IEEE for possible publication
☆ ShowFlow: From Robust Single Concept to Condition-Free Multi-Concept Generation
Customizing image generation remains a core challenge in controllable image synthesis. For single-concept generation, maintaining both identity preservation and prompt alignment is challenging. In multi-concept scenarios, relying solely on a prompt without additional conditions like layout boxes or semantic masks, often leads to identity loss and concept omission. In this paper, we introduce ShowFlow, a comprehensive framework designed to tackle these challenges. We propose ShowFlow-S for single-concept image generation, and ShowFlow-M for handling multiple concepts. ShowFlow-S introduces a KronA-WED adapter, which integrates a Kronecker adapter with weight and embedding decomposition, and employs a disentangled learning approach with a novel attention regularization objective to enhance single-concept generation. Building on this foundation, ShowFlow-M directly reuses the learned models from ShowFlow-S to support multi-concept generation without extra conditions, incorporating a Subject-Adaptive Matching Attention (SAMA) and a layout consistency strategy as the plug-and-play module. Extensive experiments and user studies validate ShowFlow's effectiveness, highlighting its potential in real-world applications like advertising and virtual dressing.
☆ GANs vs. Diffusion Models for virtual staining with the HER2match dataset
Virtual staining is a promising technique that uses deep generative models to recreate histological stains, providing a faster and more cost-effective alternative to traditional tissue chemical staining. Specifically for H&E-HER2 staining transfer, despite a rising trend in publications, the lack of sufficient public datasets has hindered progress in the topic. Additionally, it is currently unclear which model frameworks perform best for this particular task. In this paper, we introduce the HER2match dataset, the first publicly available dataset with the same breast cancer tissue sections stained with both H&E and HER2. Furthermore, we compare the performance of several Generative Adversarial Networks (GANs) and Diffusion Models (DMs), and implement a novel Brownian Bridge Diffusion Model for H&E-HER2 translation. Our findings indicate that, overall, GANs perform better than DMs, with only the BBDM achieving comparable results. Furthermore, we emphasize the importance of data alignment, as all models trained on HER2match produced vastly improved visuals compared to the widely used consecutive-slide BCI dataset. This research provides a new high-quality dataset ([available upon publication acceptance]), improving both model training and evaluation. In addition, our comparison of frameworks offers valuable guidance for researchers working on the topic.
☆ Context Consistency Learning via Sentence Removal for Semi-Supervised Video Paragraph Grounding
Semi-Supervised Video Paragraph Grounding (SSVPG) aims to localize multiple sentences in a paragraph from an untrimmed video with limited temporal annotations. Existing methods focus on teacher-student consistency learning and video-level contrastive loss, but they overlook the importance of perturbing query contexts to generate strong supervisory signals. In this work, we propose a novel Context Consistency Learning (CCL) framework that unifies the paradigms of consistency regularization and pseudo-labeling to enhance semi-supervised learning. Specifically, we first conduct teacher-student learning where the student model takes as inputs strongly-augmented samples with sentences removed and is enforced to learn from the adequately strong supervisory signals from the teacher model. Afterward, we conduct model retraining based on the generated pseudo labels, where the mutual agreement between the original and augmented views' predictions is utilized as the label confidence. Extensive experiments show that CCL outperforms existing methods by a large margin.
comment: Accepted by ICME2025
☆ A Deep Convolutional Neural Network-Based Novel Class Balancing for Imbalance Data Segmentation
Retinal fundus images provide valuable insights into the human eye's interior structure and crucial features, such as blood vessels, optic disk, macula, and fovea. However, accurate segmentation of retinal blood vessels can be challenging due to imbalanced data distribution and varying vessel thickness. In this paper, we propose BLCB-CNN, a novel pipeline based on deep learning and bi-level class balancing scheme to achieve vessel segmentation in retinal fundus images. The BLCB-CNN scheme uses a Convolutional Neural Network (CNN) architecture and an empirical approach to balance the distribution of pixels across vessel and non-vessel classes and within thin and thick vessels. Level-I is used for vessel/non-vessel balancing and Level-II is used for thick/thin vessel balancing. Additionally, pre-processing of the input retinal fundus image is performed by Global Contrast Normalization (GCN), Contrast Limited Adaptive Histogram Equalization (CLAHE), and gamma corrections to increase intensity uniformity as well as to enhance the contrast between vessels and background pixels. The resulting balanced dataset is used for classification-based segmentation of the retinal vascular tree. We evaluate the proposed scheme on standard retinal fundus images and achieve superior performance measures, including an area under the ROC curve of 98.23%, Accuracy of 96.22%, Sensitivity of 81.57%, and Specificity of 97.65%. We also demonstrate the method's efficacy through external cross-validation on STARE images, confirming its generalization ability.
comment: This is preprint of the paper submitted to Scientific Reports journal
☆ AViLA: Asynchronous Vision-Language Agent for Streaming Multimodal Data Interaction
An ideal vision-language agent serves as a bridge between the human users and their surrounding physical world in real-world applications like autonomous driving and embodied agents, and proactively provides accurate and timely responses given user intents. An intriguing challenge arises when agents interact with the world as a dynamic data stream and ad-hoc queries from users: supporting knowledge for queries, namely evidence, usually appears asynchronously with the arrival time of queries, and agents need to ground their responses in historical data, present observations, and even future streams. We frame this challenge as Query-Evidence Asynchrony, where user queries and their supporting evidence typically arrive asynchronously in the streaming setting. This setting requires not only strong reasoning capabilities but also the ability to retain past observations and respond to queries with temporal awareness. In this paper, we introduce a diagnostic benchmark that evaluates Multimodal Large Language Models (MLLMs) on their ability to handle interaction with streaming data. Further, we present AViLA, Asynchronous Video-Language Agent for streaming data interaction that can handle ad-hoc queries and give time-aware responses. For this purpose, AViLA consists of three key modules: comprehensive memory retention, evidence identification, and evidence-grounded trigger, that are designed to maintain a general-purpose memory and respond readily and timely to queries. Our experiments show that existing models often fail to respond at appropriate times, while AViLA significantly improves both accuracy and temporal awareness. Our code and dataset will be publicly available.
comment: preprint version; 23 pages (including references and appendix)
☆ DIP: Unsupervised Dense In-Context Post-training of Visual Representations
We introduce DIP, a novel unsupervised post-training method designed to enhance dense image representations in large-scale pretrained vision encoders for in-context scene understanding. Unlike prior approaches that rely on complex self-distillation architectures, our method trains the vision encoder using pseudo-tasks that explicitly simulate downstream in-context scenarios, inspired by meta-learning principles. To enable post-training on unlabeled data, we propose an automatic mechanism for generating in-context tasks that combines a pretrained diffusion model and the vision encoder itself. DIP is simple, unsupervised, and computationally efficient, requiring less than 9 hours on a single A100 GPU. By learning dense representations through pseudo in-context tasks, it achieves strong performance across a wide variety of downstream real-world in-context scene understanding tasks. It outperforms both the initial vision encoder and prior methods, offering a practical and effective solution for improving dense representations. Code available here: https://github.com/sirkosophia/DIP
☆ Radar and Event Camera Fusion for Agile Robot Ego-Motion Estimation
Achieving reliable ego motion estimation for agile robots, e.g., aerobatic aircraft, remains challenging because most robot sensors fail to respond timely and clearly to highly dynamic robot motions, often resulting in measurement blurring, distortion, and delays. In this paper, we propose an IMU-free and feature-association-free framework to achieve aggressive ego-motion velocity estimation of a robot platform in highly dynamic scenarios by combining two types of exteroceptive sensors, an event camera and a millimeter wave radar, First, we used instantaneous raw events and Doppler measurements to derive rotational and translational velocities directly. Without a sophisticated association process between measurement frames, the proposed method is more robust in texture-less and structureless environments and is more computationally efficient for edge computing devices. Then, in the back-end, we propose a continuous-time state-space model to fuse the hybrid time-based and event-based measurements to estimate the ego-motion velocity in a fixed-lagged smoother fashion. In the end, we validate our velometer framework extensively in self-collected experiment datasets. The results indicate that our IMU-free and association-free ego motion estimation framework can achieve reliable and efficient velocity output in challenging environments. The source code, illustrative video and dataset are available at https://github.com/ZzhYgwh/TwistEstimator.
☆ CPAM: Context-Preserving Adaptive Manipulation for Zero-Shot Real Image Editing
Editing natural images using textual descriptions in text-to-image diffusion models remains a significant challenge, particularly in achieving consistent generation and handling complex, non-rigid objects. Existing methods often struggle to preserve textures and identity, require extensive fine-tuning, and exhibit limitations in editing specific spatial regions or objects while retaining background details. This paper proposes Context-Preserving Adaptive Manipulation (CPAM), a novel zero-shot framework for complicated, non-rigid real image editing. Specifically, we propose a preservation adaptation module that adjusts self-attention mechanisms to preserve and independently control the object and background effectively. This ensures that the objects' shapes, textures, and identities are maintained while keeping the background undistorted during the editing process using the mask guidance technique. Additionally, we develop a localized extraction module to mitigate the interference with the non-desired modified regions during conditioning in cross-attention mechanisms. We also introduce various mask-guidance strategies to facilitate diverse image manipulation tasks in a simple manner. Extensive experiments on our newly constructed Image Manipulation BenchmArk (IMBA), a robust benchmark dataset specifically designed for real image editing, demonstrate that our proposed method is the preferred choice among human raters, outperforming existing state-of-the-art editing techniques.
☆ Frequency-Domain Fusion Transformer for Image Inpainting
Image inpainting plays a vital role in restoring missing image regions and supporting high-level vision tasks, but traditional methods struggle with complex textures and large occlusions. Although Transformer-based approaches have demonstrated strong global modeling capabilities, they often fail to preserve high-frequency details due to the low-pass nature of self-attention and suffer from high computational costs. To address these challenges, this paper proposes a Transformer-based image inpainting method incorporating frequency-domain fusion. Specifically, an attention mechanism combining wavelet transform and Gabor filtering is introduced to enhance multi-scale structural modeling and detail preservation. Additionally, a learnable frequency-domain filter based on the fast Fourier transform is designed to replace the feedforward network, enabling adaptive noise suppression and detail retention. The model adopts a four-level encoder-decoder structure and is guided by a novel loss strategy to balance global semantics and fine details. Experimental results demonstrate that the proposed method effectively improves the quality of image inpainting by preserving more high-frequency information.
♻ ☆ Improved Baselines with Synchronized Encoding for Universal Medical Image Segmentation
Large foundation models, known for their strong zero-shot generalization capabilities, can be applied to a wide range of downstream tasks. However, developing foundation models for medical image segmentation poses a significant challenge due to the domain gap between natural and medical images. While fine-tuning techniques based on the Segment Anything Model (SAM) have been explored, they primarily focus on scaling up data or refining inference strategies without incorporating domain-specific architectural designs, limiting their zero-shot performance. To optimize segmentation performance under standard inference settings and provide a strong baseline for future research, we introduce SyncSAM, which employs a synchronized dual-branch encoder that integrates convolution and Transformer features in a synchronized manner to enhance medical image encoding, and a multi-scale dual-branch decoder to preserve image details. SyncSAM is trained on two of the largest medical image segmentation datasets, SA-Med2D-20M and IMed-361M, resulting in a series of pre-trained models for universal medical image segmentation. Experimental results demonstrate that SyncSAM not only achieves state-of-the-art performance on test sets but also exhibits strong zero-shot capabilities on unseen datasets. Code and checkpoints are available at https://github.com/Hhankyangg/SyncSAM.
♻ ☆ TextBraTS: Text-Guided Volumetric Brain Tumor Segmentation with Innovative Dataset Development and Fusion Module Exploration
Deep learning has demonstrated remarkable success in medical image segmentation and computer-aided diagnosis. In particular, numerous advanced methods have achieved state-of-the-art performance in brain tumor segmentation from MRI scans. While recent studies in other medical imaging domains have revealed that integrating textual reports with visual data can enhance segmentation accuracy, the field of brain tumor analysis lacks a comprehensive dataset that combines radiological images with corresponding textual annotations. This limitation has hindered the exploration of multimodal approaches that leverage both imaging and textual data. To bridge this critical gap, we introduce the TextBraTS dataset, the first publicly available volume-level multimodal dataset that contains paired MRI volumes and rich textual annotations, derived from the widely adopted BraTS2020 benchmark. Building upon this novel dataset, we propose a novel baseline framework and sequential cross-attention method for text-guided volumetric medical image segmentation. Through extensive experiments with various text-image fusion strategies and templated text formulations, our approach demonstrates significant improvements in brain tumor segmentation accuracy, offering valuable insights into effective multimodal integration techniques. Our dataset, implementation code, and pre-trained models are publicly available at https://github.com/Jupitern52/TextBraTS.
♻ ☆ Segmentation-Aware Generative Reinforcement Network (GRN) for Tissue Layer Segmentation in 3-D Ultrasound Images for Chronic Low-back Pain (cLBP) Assessment
We introduce a novel segmentation-aware joint training framework called generative reinforcement network (GRN) that integrates segmentation loss feedback to optimize both image generation and segmentation performance in a single stage. An image enhancement technique called segmentation-guided enhancement (SGE) is also developed, where the generator produces images tailored specifically for the segmentation model. Two variants of GRN were also developed, including GRN for sample-efficient learning (GRN-SEL) and GRN for semi-supervised learning (GRN-SSL). GRN's performance was evaluated using a dataset of 69 fully annotated 3D ultrasound scans from 29 subjects. The annotations included six anatomical structures: dermis, superficial fat, superficial fascial membrane (SFM), deep fat, deep fascial membrane (DFM), and muscle. Our results show that GRN-SEL with SGE reduces labeling efforts by up to 70% while achieving a 1.98% improvement in the Dice Similarity Coefficient (DSC) compared to models trained on fully labeled datasets. GRN-SEL alone reduces labeling efforts by 60%, GRN-SSL with SGE decreases labeling requirements by 70%, and GRN-SSL alone by 60%, all while maintaining performance comparable to fully supervised models. These findings suggest the effectiveness of the GRN framework in optimizing segmentation performance with significantly less labeled data, offering a scalable and efficient solution for ultrasound image analysis and reducing the burdens associated with data annotation.
♻ ☆ LED: LLM Enhanced Open-Vocabulary Object Detection without Human Curated Data Generation
Large foundation models trained on large-scale vision-language data can boost Open-Vocabulary Object Detection (OVD) via synthetic training data, yet the hand-crafted pipelines often introduce bias and overfit to specific prompts. We sidestep this issue by directly fusing hidden states from Large Language Models (LLMs) into detectors-an avenue surprisingly under-explored. This paper presents a systematic method to enhance visual grounding by utilizing decoder layers of the LLM of an MLLM. We introduce a zero-initialized cross-attention adapter to enable efficient knowledge fusion from LLMs to object detectors, a new approach called LED (LLM Enhanced Open-Vocabulary Object Detection). We find that intermediate LLM layers already encode rich spatial semantics; adapting only the early layers yields most of the gain. With Swin-T as the vision encoder, Qwen2-0.5B + LED lifts GroundingDINO by 3.82 % on OmniLabel at just 8.7 % extra GFLOPs, and a larger vision backbone pushes the improvement to 6.22 %. Extensive ablations on adapter variants, LLM scales and fusion depths further corroborate our design.
♻ ☆ FullLoRA: Efficiently Boosting the Robustness of Pretrained Vision Transformers
In recent years, the Vision Transformer (ViT) model has gradually become mainstream in various computer vision tasks, and the robustness of the model has received increasing attention. However, existing large models tend to prioritize performance during training, potentially neglecting the robustness, which may lead to serious security concerns. In this paper, we establish a new challenge: exploring how to use a small number of additional parameters for adversarial finetuning to quickly and effectively enhance the adversarial robustness of a standardly trained model. To address this challenge, we develop novel LNLoRA module, incorporating a learnable layer normalization before the conventional LoRA module, which helps mitigate magnitude differences in parameters between the adversarial and standard training paradigms. Furthermore, we propose the FullLoRA framework by integrating the learnable LNLoRA modules into all key components of ViT-based models while keeping the pretrained model frozen, which can significantly improve the model robustness via adversarial finetuning in a parameter-efficient manner. Extensive experiments on several datasets demonstrate the superiority of our proposed FullLoRA framework. It achieves comparable robustness with full finetuning while only requiring about 5\% of the learnable parameters. This also effectively addresses concerns regarding extra model storage space and enormous training time caused by adversarial finetuning.
comment: Accepted by IEEE Transactions on Image Processing (TIP). 11 pages, 3 figures, 8 tables
♻ ☆ CGS-GAN: 3D Consistent Gaussian Splatting GANs for High Resolution Human Head Synthesis
Recently, 3D GANs based on 3D Gaussian splatting have been proposed for high quality synthesis of human heads. However, existing methods stabilize training and enhance rendering quality from steep viewpoints by conditioning the random latent vector on the current camera position. This compromises 3D consistency, as we observe significant identity changes when re-synthesizing the 3D head with each camera shift. Conversely, fixing the camera to a single viewpoint yields high-quality renderings for that perspective but results in poor performance for novel views. Removing view-conditioning typically destabilizes GAN training, often causing the training to collapse. In response to these challenges, we introduce CGS-GAN, a novel 3D Gaussian Splatting GAN framework that enables stable training and high-quality 3D-consistent synthesis of human heads without relying on view-conditioning. To ensure training stability, we introduce a multi-view regularization technique that enhances generator convergence with minimal computational overhead. Additionally, we adapt the conditional loss used in existing 3D Gaussian splatting GANs and propose a generator architecture designed to not only stabilize training but also facilitate efficient rendering and straightforward scaling, enabling output resolutions up to $2048^2$. To evaluate the capabilities of CGS-GAN, we curate a new dataset derived from FFHQ. This dataset enables very high resolutions, focuses on larger portions of the human head, reduces view-dependent artifacts for improved 3D consistency, and excludes images where subjects are obscured by hands or other objects. As a result, our approach achieves very high rendering quality, supported by competitive FID scores, while ensuring consistent 3D scene generation. Check our our project page here: https://fraunhoferhhi.github.io/cgs-gan/
comment: Main paper 12 pages, supplementary materials 8 pages
♻ ☆ Image Captions are Natural Prompts for Text-to-Image Models
With the rapid development of Artificial Intelligence Generated Content (AIGC), it has become a common practice to train models on synthetic data due to data-scarcity and privacy leakage problems. Owing to massive and diverse information conveyed in real images, it is challenging for text-to-image generative models to synthesize informative training data with hand-crafted prompts. Considering the impressive ability of large generative models, could such models directly synthesize good training images for prediction tasks with proper prompts? We offer an affirmative response to this question by proposing a simple yet effective method, validated through ImageNet classification. Specifically, we caption each real image with the advanced captioning model to obtain informative and faithful prompts that extract class-relevant information and clarify the polysemy of class names. The image captions and class names are concatenated to prompt generative models for training image synthesis. We show that this simple caption incorporation significantly boosts the informativeness of synthetic data therefore enhancing downstream model generalization. More importantly, besides improvements in data augmentation and privacy preservation, our experiments demonstrate that synthesized images can exceed real data in terms of out-of-distribution robustness.
comment: 31 pages, 2 figure, 15 tables. Codes are available at https://github.com/LeavesLei/Caption_in_Prompt
♻ ☆ Multi-contrast laser endoscopy for in vivo gastrointestinal imaging
White light endoscopy is the clinical gold standard for detecting diseases in the gastrointestinal tract. Most applications involve identifying visual abnormalities in tissue color, texture, and shape. Unfortunately, the contrast of these features is often subtle, causing many clinically relevant cases to go undetected. To overcome this challenge, we introduce Multi-contrast Laser Endoscopy (MLE): a platform for widefield clinical imaging with rapidly tunable spectral, coherent, and directional illumination. We demonstrate three capabilities of MLE: enhancing tissue chromophore contrast with multispectral diffuse reflectance, quantifying blood flow using laser speckle contrast imaging, and characterizing mucosal topography using photometric stereo. We validate MLE with benchtop models, then demonstrate MLE in vivo during clinical colonoscopies. MLE images from 31 polyps demonstrate an approximate three-fold improvement in contrast and a five-fold improvement in color difference compared to white light and narrow band imaging. With the ability to reveal multiple complementary types of tissue contrast while seamlessly integrating into the clinical environment, MLE shows promise as an investigative tool to improve gastrointestinal imaging.
♻ ☆ Reasoning Limitations of Multimodal Large Language Models. A Case Study of Bongard Problems ICML 2025
Abstract visual reasoning (AVR) involves discovering shared concepts across images through analogy, akin to solving IQ test problems. Bongard Problems (BPs) remain a key challenge in AVR, requiring both visual reasoning and verbal description. We investigate whether multimodal large language models (MLLMs) can solve BPs by formulating a set of diverse MLLM-suited solution strategies and testing $4$ proprietary and $4$ open-access models on $3$ BP datasets featuring synthetic (classic BPs) and real-world (Bongard HOI and Bongard-OpenWorld) images. Despite some successes on real-world datasets, MLLMs struggle with synthetic BPs. To explore this gap, we introduce Bongard-RWR, a dataset representing synthetic BP concepts using real-world images. Our findings suggest that weak MLLM performance on classical BPs is not due to the domain specificity, but rather comes from their general AVR limitations. Code and dataset are available at: https://github.com/pavonism/bongard-rwr
comment: Accepted to The Forty-Second International Conference on Machine Learning (ICML 2025)
♻ ☆ DiffDesign: Controllable Diffusion with Meta Prior for Efficient Interior Design Generation
Interior design is a complex and creative discipline involving aesthetics, functionality, ergonomics, and materials science. Effective solutions must meet diverse requirements, typically producing multiple deliverables such as renderings and design drawings from various perspectives. Consequently, interior design processes are often inefficient and demand significant creativity. With advances in machine learning, generative models have emerged as a promising means of improving efficiency by creating designs from text descriptions or sketches. However, few generative works focus on interior design, leading to substantial discrepancies between outputs and practical needs, such as differences in size, spatial scope, and the lack of controllable generation quality. To address these challenges, we propose DiffDesign, a controllable diffusion model with meta priors for efficient interior design generation. Specifically, we utilize the generative priors of a 2D diffusion model pre-trained on a large image dataset as our rendering backbone. We further guide the denoising process by disentangling cross-attention control over design attributes, such as appearance, pose, and size, and introduce an optimal transfer-based alignment module to enforce view consistency. Simultaneously, we construct an interior design-specific dataset, DesignHelper, consisting of over 400 solutions across more than 15 spatial types and 15 design styles. This dataset helps fine-tune DiffDesign. Extensive experiments conducted on various benchmark datasets demonstrate the effectiveness and robustness of DiffDesign.
♻ ☆ EmoAgent: A Multi-Agent Framework for Diverse Affective Image Manipulation
Affective Image Manipulation (AIM) aims to alter visual elements within an image to evoke specific emotional responses from viewers. However, existing AIM approaches rely on rigid \emph{one-to-one} mappings between emotions and visual cues, making them ill-suited for the inherently subjective and diverse ways in which humans perceive and express emotion.To address this, we introduce a novel task setting termed \emph{Diverse AIM (D-AIM)}, aiming to generate multiple visually distinct yet emotionally consistent image edits from a single source image and target emotion. We propose \emph{EmoAgent}, the first multi-agent framework tailored specifically for D-AIM. EmoAgent explicitly decomposes the manipulation process into three specialized phases executed by collaborative agents: a Planning Agent that generates diverse emotional editing strategies, an Editing Agent that precisely executes these strategies, and a Critic Agent that iteratively refines the results to ensure emotional accuracy. This collaborative design empowers EmoAgent to model \emph{one-to-many} emotion-to-visual mappings, enabling semantically diverse and emotionally faithful edits.Extensive quantitative and qualitative evaluations demonstrate that EmoAgent substantially outperforms state-of-the-art approaches in both emotional fidelity and semantic diversity, effectively generating multiple distinct visual edits that convey the same target emotion.
♻ ☆ PC-SRGAN: Physically Consistent Super-Resolution Generative Adversarial Network for General Transient Simulations
Machine Learning, particularly Generative Adversarial Networks (GANs), has revolutionised Super Resolution (SR). However, generated images often lack physical meaningfulness, which is essential for scientific applications. Our approach, PC-SRGAN, enhances image resolution while ensuring physical consistency for interpretable simulations. PC-SRGAN significantly improves both the Peak Signal-to-Noise Ratio and the Structural Similarity Index Measure compared to conventional methods, even with limited training data (e.g., only 13% of training data required for SRGAN). Beyond SR, PC-SRGAN augments physically meaningful machine learning, incorporating numerically justified time integrators and advanced quality metrics. These advancements promise reliable and causal machine-learning models in scientific domains. A significant advantage of PC-SRGAN over conventional SR techniques is its physical consistency, which makes it a viable surrogate model for time-dependent problems. PC-SRGAN advances scientific machine learning, offering improved accuracy and efficiency for image processing, enhanced process understanding, and broader applications to scientific research. We publicly release the complete source code at https://github.com/hasan-rakibul/PC-SRGAN.
♻ ☆ One Step Diffusion via Shortcut Models
Diffusion models and flow-matching models have enabled generating diverse and realistic images by learning to transfer noise to data. However, sampling from these models involves iterative denoising over many neural network passes, making generation slow and expensive. Previous approaches for speeding up sampling require complex training regimes, such as multiple training phases, multiple networks, or fragile scheduling. We introduce shortcut models, a family of generative models that use a single network and training phase to produce high-quality samples in a single or multiple sampling steps. Shortcut models condition the network not only on the current noise level but also on the desired step size, allowing the model to skip ahead in the generation process. Across a wide range of sampling step budgets, shortcut models consistently produce higher quality samples than previous approaches, such as consistency models and reflow. Compared to distillation, shortcut models reduce complexity to a single network and training phase and additionally allow varying step budgets at inference time.
♻ ☆ VesselGPT: Autoregressive Modeling of Vascular Geometry MICCAI 2025
Anatomical trees are critical for clinical diagnosis and treatment planning, yet their complex and diverse geometry make accurate representation a significant challenge. Motivated by the latest advances in large language models, we introduce an autoregressive method for synthesizing anatomical trees. Our approach first embeds vessel structures into a learned discrete vocabulary using a VQ-VAE architecture, then models their generation autoregressively with a GPT-2 model. This method effectively captures intricate geometries and branching patterns, enabling realistic vascular tree synthesis. Comprehensive qualitative and quantitative evaluations reveal that our technique achieves high-fidelity tree reconstruction with compact discrete representations. Moreover, our B-spline representation of vessel cross-sections preserves critical morphological details that are often overlooked in previous' methods parameterizations. To the best of our knowledge, this work is the first to generate blood vessels in an autoregressive manner. Code is available at https://github.com/LIA-DiTella/VesselGPT-MICCAI.
comment: Accepted for MICCAI 2025
♻ ☆ Improving Generalization in MRI-Based Deep Learning Models for Total Knee Replacement Prediction
Knee osteoarthritis (KOA) is a common joint disease that causes pain and mobility issues. While MRI-based deep learning models have demonstrated superior performance in predicting total knee replacement (TKR) and disease progression, their generalizability remains challenging, particularly when applied to imaging data from different sources. In this study, we have shown that replacing batch normalization with instance normalization, using data augmentation, and applying contrastive loss improves model generalization in a baseline deep learning model for knee osteoarthritis (KOA) prediction. We trained and evaluated our model using MRI data from the Osteoarthritis Initiative (OAI) database, considering sagittal fat-suppressed intermediate-weighted turbo spin-echo (FS-IW-TSE) images as the source domain and sagittal fat-suppressed three-dimensional (3D) dual-echo in steady state (DESS) images as the target domain. The results demonstrate a statistically significant improvement in classification accuracy across both domains, with our approach outperforming the baseline model.
♻ ☆ InstructAttribute: Fine-grained Object Attributes editing with Instruction
Text-to-image (T2I) diffusion models are widely used in image editing due to their powerful generative capabilities. However, achieving fine-grained control over specific object attributes, such as color and material, remains a considerable challenge. Existing methods often fail to accurately modify these attributes or compromise structural integrity and overall image consistency. To fill this gap, we introduce Structure Preservation and Attribute Amplification (SPAA), a novel training-free framework that enables precise generation of color and material attributes for the same object by intelligently manipulating self-attention maps and cross-attention values within diffusion models. Building on SPAA, we integrate multi-modal large language models (MLLMs) to automate data curation and instruction generation. Leveraging this object attribute data collection engine, we construct the Attribute Dataset, encompassing a comprehensive range of colors and materials across diverse object categories. Using this generated dataset, we propose InstructAttribute, an instruction-tuned model that enables fine-grained and object-level attribute editing through natural language prompts. This capability holds significant practical implications for diverse fields, from accelerating product design and e-commerce visualization to enhancing virtual try-on experiences. Extensive experiments demonstrate that InstructAttribute outperforms existing instruction-based baselines, achieving a superior balance between attribute modification accuracy and structural preservation.
♻ ☆ Kimi-VL Technical Report
We present Kimi-VL, an efficient open-source Mixture-of-Experts (MoE) vision-language model (VLM) that offers advanced multimodal reasoning, long-context understanding, and strong agent capabilities - all while activating only 2.8B parameters in its language decoder (Kimi-VL-A3B). Kimi-VL demonstrates strong performance across challenging domains: as a general-purpose VLM, Kimi-VL excels in multi-turn agent tasks (e.g., OSWorld), matching flagship models. Furthermore, it exhibits remarkable capabilities across diverse challenging vision language tasks, including college-level image and video comprehension, OCR, mathematical reasoning, and multi-image understanding. In comparative evaluations, it effectively competes with cutting-edge efficient VLMs such as GPT-4o-mini, Qwen2.5-VL-7B, and Gemma-3-12B-IT, while surpassing GPT-4o in several key domains. Kimi-VL also advances in processing long contexts and perceiving clearly. With a 128K extended context window, Kimi-VL can process diverse long inputs, achieving impressive scores of 64.5 on LongVideoBench and 35.1 on MMLongBench-Doc. Its native-resolution vision encoder, MoonViT, further allows it to see and understand ultra-high-resolution visual inputs, achieving 83.2 on InfoVQA and 34.5 on ScreenSpot-Pro, while maintaining lower computational cost for common tasks. Building upon Kimi-VL, we introduce an advanced long-thinking variant: Kimi-VL-Thinking-2506. Developed through long chain-of-thought (CoT) supervised fine-tuning (SFT) and reinforcement learning (RL), the latest model exhibits strong long-horizon reasoning capabilities (64.0 on MMMU, 46.3 on MMMU-Pro, 56.9 on MathVision, 80.1 on MathVista, 65.2 on VideoMMMU) while obtaining robust general abilities. Code and models are publicly accessible at https://github.com/MoonshotAI/Kimi-VL.
comment: Updated Kimi-VL-A3B-Thinking-2506 information
♻ ☆ R3eVision: A Survey on Robust Rendering, Restoration, and Enhancement for 3D Low-Level Vision
Neural rendering methods such as Neural Radiance Fields (NeRF) and 3D Gaussian Splatting (3DGS) have achieved significant progress in photorealistic 3D scene reconstruction and novel view synthesis. However, most existing models assume clean and high-resolution (HR) multi-view inputs, which limits their robustness under real-world degradations such as noise, blur, low-resolution (LR), and weather-induced artifacts. To address these limitations, the emerging field of 3D Low-Level Vision (3D LLV) extends classical 2D Low-Level Vision tasks including super-resolution (SR), deblurring, weather degradation removal, restoration, and enhancement into the 3D spatial domain. This survey, referred to as R\textsuperscript{3}eVision, provides a comprehensive overview of robust rendering, restoration, and enhancement for 3D LLV by formalizing the degradation-aware rendering problem and identifying key challenges related to spatio-temporal consistency and ill-posed optimization. Recent methods that integrate LLV into neural rendering frameworks are categorized to illustrate how they enable high-fidelity 3D reconstruction under adverse conditions. Application domains such as autonomous driving, AR/VR, and robotics are also discussed, where reliable 3D perception from degraded inputs is critical. By reviewing representative methods, datasets, and evaluation protocols, this work positions 3D LLV as a fundamental direction for robust 3D content generation and scene-level reconstruction in real-world environments.
comment: Please visit our project page at https://github.com/CMLab-Korea/Awesome-3D-Low-Level-Vision
♻ ☆ Interpreting Global Perturbation Robustness of Image Models using Axiomatic Spectral Importance Decomposition
Perturbation robustness evaluates the vulnerabilities of models, arising from a variety of perturbations, such as data corruptions and adversarial attacks. Understanding the mechanisms of perturbation robustness is critical for global interpretability. We present a model-agnostic, global mechanistic interpretability method to interpret the perturbation robustness of image models. This research is motivated by two key aspects. First, previous global interpretability works, in tandem with robustness benchmarks, e.g. mean corruption error (mCE), are not designed to directly interpret the mechanisms of perturbation robustness within image models. Second, we notice that the spectral signal-to-noise ratios (SNR) of perturbed natural images exponentially decay over the frequency. This power-law-like decay implies that: Low-frequency signals are generally more robust than high-frequency signals -- yet high classification accuracy can not be achieved by low-frequency signals alone. By applying Shapley value theory, our method axiomatically quantifies the predictive powers of robust features and non-robust features within an information theory framework. Our method, dubbed as \textbf{I-ASIDE} (\textbf{I}mage \textbf{A}xiomatic \textbf{S}pectral \textbf{I}mportance \textbf{D}ecomposition \textbf{E}xplanation), provides a unique insight into model robustness mechanisms. We conduct extensive experiments over a variety of vision models pre-trained on ImageNet to show that \textbf{I-ASIDE} can not only \textbf{measure} the perturbation robustness but also \textbf{provide interpretations} of its mechanisms.
comment: Accepted by Transactions on Machine Learning Research (TMLR 2024)
♻ ☆ Step1X-Edit: A Practical Framework for General Image Editing
In recent years, image editing models have witnessed remarkable and rapid development. The recent unveiling of cutting-edge multimodal models such as GPT-4o and Gemini2 Flash has introduced highly promising image editing capabilities. These models demonstrate an impressive aptitude for fulfilling a vast majority of user-driven editing requirements, marking a significant advancement in the field of image manipulation. However, there is still a large gap between the open-source algorithm with these closed-source models. Thus, in this paper, we aim to release a state-of-the-art image editing model, called Step1X-Edit, which can provide comparable performance against the closed-source models like GPT-4o and Gemini2 Flash. More specifically, we adopt the Multimodal LLM to process the reference image and the user's editing instruction. A latent embedding has been extracted and integrated with a diffusion image decoder to obtain the target image. To train the model, we build a data generation pipeline to produce a high-quality dataset. For evaluation, we develop the GEdit-Bench, a novel benchmark rooted in real-world user instructions. Experimental results on GEdit-Bench demonstrate that Step1X-Edit outperforms existing open-source baselines by a substantial margin and approaches the performance of leading proprietary models, thereby making significant contributions to the field of image editing.
comment: code: https://github.com/stepfun-ai/Step1X-Edit
♻ ☆ Accurate early detection of Parkinson's disease from SPECT imaging through Convolutional Neural Networks
Early and accurate detection of Parkinson's disease (PD) is a crucial diagnostic challenge carrying immense clinical significance, for effective treatment regimens and patient management. For instance, a group of subjects termed SWEDD who are clinically diagnosed as PD, but show normal Single Photon Emission Computed Tomography (SPECT) scans, change their diagnosis as non-PD after few years of follow up, and in the meantime, they are treated with PD medications which do more harm than good. In this work, machine learning models are developed using features from SPECT images to detect early PD and SWEDD subjects from normal. These models were observed to perform with high accuracy. It is inferred from the study that these diagnostic models carry potential to help PD clinicians in the diagnostic process
comment: This article is accepted and published with revisions to the Artificial Intelligence in Health journal (2025). The accepted article can be accessed at https://doi.org/10.36922/AIH025040005
♻ ☆ Shaken, Not Stirred: A Novel Dataset for Visual Understanding of Glasses in Human-Robot Bartending Tasks
Datasets for object detection often do not account for enough variety of glasses, due to their transparent and reflective properties. Specifically, open-vocabulary object detectors, widely used in embodied robotic agents, fail to distinguish subclasses of glasses. This scientific gap poses an issue to robotic applications that suffer from accumulating errors between detection, planning, and action execution. The paper introduces a novel method for the acquisition of real-world data from RGB-D sensors that minimizes human effort. We propose an auto-labeling pipeline that generates labels for all the acquired frames based on the depth measurements. We provide a novel real-world glass object dataset that was collected on the Neuro-Inspired COLlaborator (NICOL), a humanoid robot platform. The data set consists of 7850 images recorded from five different cameras. We show that our trained baseline model outperforms state-of-the-art open-vocabulary approaches. In addition, we deploy our baseline model in an embodied agent approach to the NICOL platform, on which it achieves a success rate of 81% in a human-robot bartending scenario.
comment: Submitted and Accepted for Presentation at the IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS) 2025
♻ ☆ Multi-Stage Manipulation with Demonstration-Augmented Reward, Policy, and World Model Learning
Long-horizon tasks in robotic manipulation present significant challenges in reinforcement learning (RL) due to the difficulty of designing dense reward functions and effectively exploring the expansive state-action space. However, despite a lack of dense rewards, these tasks often have a multi-stage structure, which can be leveraged to decompose the overall objective into manageable subgoals. In this work, we propose DEMO3, a framework that exploits this structure for efficient learning from visual inputs. Specifically, our approach incorporates multi-stage dense reward learning, a bi-phasic training scheme, and world model learning into a carefully designed demonstration-augmented RL framework that strongly mitigates the challenge of exploration in long-horizon tasks. Our evaluations demonstrate that our method improves data-efficiency by an average of 40% and by 70% on particularly difficult tasks compared to state-of-the-art approaches. We validate this across 16 sparse-reward tasks spanning four domains, including challenging humanoid visual control tasks using as few as five demonstrations.
comment: Project page can be found at https://adrialopezescoriza.github.io/demo3/
♻ ☆ Boosting Virtual Agent Learning and Reasoning: A Step-Wise, Multi-Dimensional, and Generalist Reward Model with Benchmark
The development of Generalist Virtual Agents (GVAs) has shown significant promise in autonomous task execution. However, current training paradigms face critical limitations, including reliance on outcome supervision and labor-intensive human annotations. To address these challenges, we propose Similar, a Step-Wise Multi-Dimensional Generalist Reward Model, which offers fine-grained signals for agent training and can choose better action for inference-time scaling. Specifically, we begin by systematically defining five dimensions for evaluating agent actions. Building on this framework, we design an MCTS-P algorithm to automatically collect and annotate step-wise, five-dimensional agent execution data. Using this data, we train Similar with the Triple-M strategy. Furthermore, we introduce the first benchmark in the virtual agent domain for step-wise, multi-dimensional reward model training and evaluation, named SRM. This benchmark consists of two components: SRMTrain, which serves as the training set for Similar, and SRMEval, a manually selected test set for evaluating the reward model. Experimental results demonstrate that Similar, through its step-wise, multi-dimensional assessment and synergistic gain, provides GVAs with effective intermediate signals during both training and inference-time scaling. The project is available at https://github.com/antgroup/Similar.
comment: Home page is available at https://dcd-ant-similar.github.io
♻ ☆ Indeterminate Probability Theory
Complex continuous or mixed joint distributions (e.g., P(Y | z_1, z_2, ..., z_N)) generally lack closed-form solutions, often necessitating approximations such as MCMC. This paper proposes Indeterminate Probability Theory (IPT), which makes the following contributions: (1) An observer-centered framework in which experimental outcomes are represented as distributions combining ground truth with observation error; (2) The introduction of three independence candidate axioms that enable a two-phase probabilistic inference framework; (3) The derivation of closed-form solutions for arbitrary complex joint distributions under this framework. Both the Indeterminate Probability Neural Network (IPNN) model and the non-neural multivariate time series forecasting application demonstrate IPT's effectiveness in modeling high-dimensional distributions, with successful validation up to 1000 dimensions. Importantly, IPT is consistent with classical probability theory and subsumes the frequentist equation in the limit of vanishing observation error.
comment: 25 pages
♻ ☆ MIFNet: Learning Modality-Invariant Features for Generalizable Multimodal Image Matching
Many keypoint detection and description methods have been proposed for image matching or registration. While these methods demonstrate promising performance for single-modality image matching, they often struggle with multimodal data because the descriptors trained on single-modality data tend to lack robustness against the non-linear variations present in multimodal data. Extending such methods to multimodal image matching often requires well-aligned multimodal data to learn modality-invariant descriptors. However, acquiring such data is often costly and impractical in many real-world scenarios. To address this challenge, we propose a modality-invariant feature learning network (MIFNet) to compute modality-invariant features for keypoint descriptions in multimodal image matching using only single-modality training data. Specifically, we propose a novel latent feature aggregation module and a cumulative hybrid aggregation module to enhance the base keypoint descriptors trained on single-modality data by leveraging pre-trained features from Stable Diffusion models. %, our approach generates robust and invariant features across diverse and unknown modalities. We validate our method with recent keypoint detection and description methods in three multimodal retinal image datasets (CF-FA, CF-OCT, EMA-OCTA) and two remote sensing datasets (Optical-SAR and Optical-NIR). Extensive experiments demonstrate that the proposed MIFNet is able to learn modality-invariant feature for multimodal image matching without accessing the targeted modality and has good zero-shot generalization ability. The code will be released at https://github.com/lyp-deeplearning/MIFNet.
comment: Accept by IEEE TIP 2025
♻ ☆ Disentangling representations of retinal images with generative models
Retinal fundus images play a crucial role in the early detection of eye diseases. However, the impact of technical factors on these images can pose challenges for reliable AI applications in ophthalmology. For example, large fundus cohorts are often confounded by factors like camera type, bearing the risk of learning shortcuts rather than the causal relationships behind the image generation process. Here, we introduce a population model for retinal fundus images that effectively disentangles patient attributes from camera effects, enabling controllable and highly realistic image generation. To achieve this, we propose a disentanglement loss based on distance correlation. Through qualitative and quantitative analyses, we show that our models encode desired information in disentangled subspaces and enable controllable image generation based on the learned subspaces, demonstrating the effectiveness of our disentanglement loss. The project's code is publicly available: https://github.com/berenslab/disentangling-retinal-images.
comment: Final journal paper version for Medical Image Analysis (MedIA)
♻ ☆ ILIAS: Instance-Level Image retrieval At Scale CVPR 2025
This work introduces ILIAS, a new test dataset for Instance-Level Image retrieval At Scale. It is designed to evaluate the ability of current and future foundation models and retrieval techniques to recognize particular objects. The key benefits over existing datasets include large scale, domain diversity, accurate ground truth, and a performance that is far from saturated. ILIAS includes query and positive images for 1,000 object instances, manually collected to capture challenging conditions and diverse domains. Large-scale retrieval is conducted against 100 million distractor images from YFCC100M. To avoid false negatives without extra annotation effort, we include only query objects confirmed to have emerged after 2014, i.e. the compilation date of YFCC100M. An extensive benchmarking is performed with the following observations: i) models fine-tuned on specific domains, such as landmarks or products, excel in that domain but fail on ILIAS ii) learning a linear adaptation layer using multi-domain class supervision results in performance improvements, especially for vision-language models iii) local descriptors in retrieval re-ranking are still a key ingredient, especially in the presence of severe background clutter iv) the text-to-image performance of the vision-language foundation models is surprisingly close to the corresponding image-to-image case. website: https://vrg.fel.cvut.cz/ilias/
comment: CVPR 2025
♻ ☆ RealSR-R1: Reinforcement Learning for Real-World Image Super-Resolution with Vision-Language Chain-of-Thought
Real-World Image Super-Resolution is one of the most challenging task in image restoration. However, existing methods struggle with an accurate understanding of degraded image content, leading to reconstructed results that are both low-fidelity and unnatural. We present RealSR-R1 in this work, which empowers the RealSR models with understanding and reasoning capabilities. Inspired by the success of Chain of Thought (CoT) in large language models (LLMs), we simulate the human process of handling degraded images and propose the VLCoT framework, which integrates vision and language reasoning. The framework aims to precisely restore image details by progressively generating more comprehensive text and higher-resolution images. To overcome the challenge of traditional supervised learning CoT failing to generalize to real-world scenarios, we introduce, for the first time, Group Relative Policy Optimization (GRPO) into the Real-World Image Super-Resolution task. We propose VLCoT-GRPO as a solution, which designs four reward functions: (1) Format reward, used to standardize the CoT process; (2) Degradation reward, to incentivize accurate degradation estimation; (3) Understanding reward, to ensure the accuracy of the generated content; and (4) Generation reward, where we propose using a visual expert model to evaluate the quality of generated images, encouraging the model to generate more realistic images. Extensive experiments demonstrate that our proposed RealSR-R1 can generate realistic details and accurately understand image content, particularly in semantically rich scenes or images with severe degradation.
♻ ☆ Segment Anything for Satellite Imagery: A Strong Baseline and a Regional Dataset for Automatic Field Delineation
Accurate mapping of agricultural field boundaries is essential for the efficient operation of agriculture. Automatic extraction from high-resolution satellite imagery, supported by computer vision techniques, can avoid costly ground surveys. In this paper, we present a pipeline for field delineation based on the Segment Anything Model (SAM), introducing a fine-tuning strategy to adapt SAM to this task. In addition to using published datasets, we describe a method for acquiring a complementary regional dataset that covers areas beyond current sources. Extensive experiments assess segmentation accuracy and evaluate the generalization capabilities. Our approach provides a robust baseline for automated field delineation. The new regional dataset, known as ERAS, is now publicly available.
comment: Acceptet at ICIAP 2025
♻ ☆ Ultra-high resolution multimodal MRI densely labelled holistic structural brain atlas
In this paper, we introduce a novel structural holistic Atlas (holiAtlas) of the human brain anatomy based on multimodal and high-resolution MRI that covers several anatomical levels from the organ to the substructure level, using a new densely labelled protocol generated from the fusion of multiple local protocols at different scales. This atlas was constructed by averaging images and segmentations of 75 healthy subjects from the Human Connectome Project database. Specifically, MR images of T1, T2 and WMn (White Matter nulled) contrasts at 0.125 $mm^{3}$ resolution were selected for this project. The images of these 75 subjects were nonlinearly registered and averaged using symmetric group-wise normalisation to construct the atlas. At the finest level, the proposed atlas has 350 different labels derived from 7 distinct delineation protocols. These labels were grouped at multiple scales, offering a coherent and consistent holistic representation of the brain across different levels of detail. This multiscale and multimodal atlas can be used to develop new ultra-high-resolution segmentation methods, potentially improving the early detection of neurological disorders. We make it publicly available to the scientific community.
♻ ☆ Benchmarking Large Language Models for Handwritten Text Recognition
Traditional machine learning models for Handwritten Text Recognition (HTR) rely on supervised training, requiring extensive manual annotations, and often produce errors due to the separation between layout and text processing. In contrast, Multimodal Large Language Models (MLLMs) offer a general approach to recognizing diverse handwriting styles without the need for model-specific training. The study benchmarks various proprietary and open-source LLMs against Transkribus models, evaluating their performance on both modern and historical datasets written in English, French, German, and Italian. In addition, emphasis is placed on testing the models' ability to autonomously correct previously generated outputs. Findings indicate that proprietary models, especially Claude 3.5 Sonnet, outperform open-source alternatives in zero-shot settings. MLLMs achieve excellent results in recognizing modern handwriting and exhibit a preference for the English language due to their pre-training dataset composition. Comparisons with Transkribus show no consistent advantage for either approach. Moreover, LLMs demonstrate limited ability to autonomously correct errors in zero-shot transcriptions.
♻ ☆ MDeRainNet: An Efficient Macro-pixel Image Rain Removal Network
Since rainy weather always degrades image quality and poses significant challenges to most computer vision-based intelligent systems, image de-raining has been a hot research topic. Fortunately, in a rainy light field (LF) image, background obscured by rain streaks in one sub-view may be visible in the other sub-views, and implicit depth information and recorded 4D structural information may benefit rain streak detection and removal. However, existing LF image rain removal methods either do not fully exploit the global correlations of 4D LF data or only utilize partial sub-views, resulting in sub-optimal rain removal performance and no-equally good quality for all de-rained sub-views. In this paper, we propose an efficient network, called MDeRainNet, for rain streak removal from LF images. The proposed network adopts a multi-scale encoder-decoder architecture, which directly works on Macro-pixel images (MPIs) to improve the rain removal performance. To fully model the global correlation between the spatial and the angular information, we propose an Extended Spatial-Angular Interaction (ESAI) module to merge them, in which a simple and effective Transformer-based Spatial-Angular Interaction Attention (SAIA) block is also proposed for modeling long-range geometric correlations and making full use of the angular information. Furthermore, to improve the generalization performance of our network on real-world rainy scenes, we propose a novel semi-supervised learning framework for our MDeRainNet, which utilizes multi-level KL loss to bridge the domain gap between features of synthetic and real-world rain streaks and introduces colored-residue image guided contrastive regularization to reconstruct rain-free images. Extensive experiments conducted on synthetic and real-world LFIs demonstrate that our method outperforms the state-of-the-art methods both quantitatively and qualitatively.
comment: 14 pages, 13 figures, 4 tables
Machine Learning 213
☆ Steering Conceptual Bias via Transformer Latent-Subspace Activation
This work examines whether activating latent subspaces in language models (LLMs) can steer scientific code generation toward a specific programming language. Five causal LLMs were first evaluated on scientific coding prompts to quantify their baseline bias among four programming languages. A static neuron-attribution method, perturbing the highest activated MLP weight for a C++ or CPP token, proved brittle and exhibited limited generalization across prompt styles and model scales. To address these limitations, a gradient-refined adaptive activation steering framework (G-ACT) was developed: per-prompt activation differences are clustered into a small set of steering directions, and lightweight per-layer probes are trained and refined online to select the appropriate steering vector. In LLaMA-3.2 3B, this approach reliably biases generation towards the CPP language by increasing the average probe classification accuracy by 15% and the early layers (0-6) improving the probe classification accuracy by 61.5% compared to the standard ACT framework. For LLaMA-3.3 70B, where attention-head signals become more diffuse, targeted injections at key layers still improve language selection. Although per-layer probing introduces a modest inference overhead, it remains practical by steering only a subset of layers and enables reproducible model behavior. These results demonstrate a scalable, interpretable and efficient mechanism for concept-level control for practical agentic systems.
☆ Offline Goal-Conditioned Reinforcement Learning with Projective Quasimetric Planning
Offline Goal-Conditioned Reinforcement Learning seeks to train agents to reach specified goals from previously collected trajectories. Scaling that promises to long-horizon tasks remains challenging, notably due to compounding value-estimation errors. Principled geometric offers a potential solution to address these issues. Following this insight, we introduce Projective Quasimetric Planning (ProQ), a compositional framework that learns an asymmetric distance and then repurposes it, firstly as a repulsive energy forcing a sparse set of keypoints to uniformly spread over the learned latent space, and secondly as a structured directional cost guiding towards proximal sub-goals. In particular, ProQ couples this geometry with a Lagrangian out-of-distribution detector to ensure the learned keypoints stay within reachable areas. By unifying metric learning, keypoint coverage, and goal-conditioned control, our approach produces meaningful sub-goals and robustly drives long-horizon goal-reaching on diverse a navigation benchmarks.
☆ LIGHTHOUSE: Fast and precise distance to shoreline calculations from anywhere on earth ICML 2025
We introduce a new dataset and algorithm for fast and efficient coastal distance calculations from Anywhere on Earth (AoE). Existing global coastal datasets are only available at coarse resolution (e.g. 1-4 km) which limits their utility. Publicly available satellite imagery combined with computer vision enable much higher precision. We provide a global coastline dataset at 10 meter resolution, a 100+ fold improvement in precision over existing data. To handle the computational challenge of querying at such an increased scale, we introduce a new library: Layered Iterative Geospatial Hierarchical Terrain-Oriented Unified Search Engine (Lighthouse). Lighthouse is both exceptionally fast and resource-efficient, requiring only 1 CPU and 2 GB of RAM to achieve millisecond online inference, making it well suited for real-time applications in resource-constrained environments.
comment: 8 pages, 7 figures, 1 table, ICML 2025 ML4RS
☆ LongWriter-Zero: Mastering Ultra-Long Text Generation via Reinforcement Learning
Ultra-long generation by large language models (LLMs) is a widely demanded scenario, yet it remains a significant challenge due to their maximum generation length limit and overall quality degradation as sequence length increases. Previous approaches, exemplified by LongWriter, typically rely on ''teaching'', which involves supervised fine-tuning (SFT) on synthetic long-form outputs. However, this strategy heavily depends on synthetic SFT data, which is difficult and costly to construct, often lacks coherence and consistency, and tends to be overly artificial and structurally monotonous. In this work, we propose an incentivization-based approach that, starting entirely from scratch and without relying on any annotated or synthetic data, leverages reinforcement learning (RL) to foster the emergence of ultra-long, high-quality text generation capabilities in LLMs. We perform RL training starting from a base model, similar to R1-Zero, guiding it to engage in reasoning that facilitates planning and refinement during the writing process. To support this, we employ specialized reward models that steer the LLM towards improved length control, writing quality, and structural formatting. Experimental evaluations show that our LongWriter-Zero model, trained from Qwen2.5-32B, consistently outperforms traditional SFT methods on long-form writing tasks, achieving state-of-the-art results across all metrics on WritingBench and Arena-Write, and even surpassing 100B+ models such as DeepSeek R1 and Qwen3-235B. We open-source our data and model checkpoints under https://huggingface.co/THU-KEG/LongWriter-Zero-32B
☆ Multi-Agent Online Control with Adversarial Disturbances
Multi-agent control problems involving a large number of agents with competing and time-varying objectives are increasingly prevalent in applications across robotics, economics, and energy systems. In this paper, we study online control in multi-agent linear dynamical systems with disturbances. In contrast to most prior work in multi-agent control, we consider an online setting where disturbances are adversarial and where each agent seeks to minimize its own, adversarial sequence of convex losses. In this setting, we investigate the robustness of gradient-based controllers from single-agent online control, with a particular focus on understanding how individual regret guarantees are influenced by the number of agents in the system. Under minimal communication assumptions, we prove near-optimal sublinear regret bounds that hold uniformly for all agents. Finally, when the objectives of the agents are aligned, we show that the multi-agent control problem induces a time-varying potential game for which we derive equilibrium gap guarantees.
☆ Learning Physical Systems: Symplectification via Gauge Fixing in Dirac Structures
Physics-informed deep learning has achieved remarkable progress by embedding geometric priors, such as Hamiltonian symmetries and variational principles, into neural networks, enabling structure-preserving models that extrapolate with high accuracy. However, in systems with dissipation and holonomic constraints, ubiquitous in legged locomotion and multibody robotics, the canonical symplectic form becomes degenerate, undermining the very invariants that guarantee stability and long-term prediction. In this work, we tackle this foundational limitation by introducing Presymplectification Networks (PSNs), the first framework to learn the symplectification lift via Dirac structures, restoring a non-degenerate symplectic geometry by embedding constrained systems into a higher-dimensional manifold. Our architecture combines a recurrent encoder with a flow-matching objective to learn the augmented phase-space dynamics end-to-end. We then attach a lightweight Symplectic Network (SympNet) to forecast constrained trajectories while preserving energy, momentum, and constraint satisfaction. We demonstrate our method on the dynamics of the ANYmal quadruped robot, a challenging contact-rich, multibody system. To the best of our knowledge, this is the first framework that effectively bridges the gap between constrained, dissipative mechanical systems and symplectic learning, unlocking a whole new class of geometric machine learning models, grounded in first principles yet adaptable from data.
comment: Presented at Equivariant Systems: Theory and Applications in State Estimation, Artificial Intelligence and Control, Robotics: Science and Systems (RSS) 2025 Workshop, 6 Pages, 3 Figures
☆ A Multi-view Divergence-Convergence Feature Augmentation Framework for Drug-related Microbes Prediction
In the study of drug function and precision medicine, identifying new drug-microbe associations is crucial. However, current methods isolate association and similarity analysis of drug and microbe, lacking effective inter-view optimization and coordinated multi-view feature fusion. In our study, a multi-view Divergence-Convergence Feature Augmentation framework for Drug-related Microbes Prediction (DCFA_DMP) is proposed, to better learn and integrate association information and similarity information. In the divergence phase, DCFA_DMP strengthens the complementarity and diversity between heterogeneous information and similarity information by performing Adversarial Learning method between the association network view and different similarity views, optimizing the feature space. In the convergence phase, a novel Bidirectional Synergistic Attention Mechanism is proposed to deeply synergize the complementary features between different views, achieving a deep fusion of the feature space. Moreover, Transformer graph learning is alternately applied on the drug-microbe heterogeneous graph, enabling each drug or microbe node to focus on the most relevant nodes. Numerous experiments demonstrate DCFA_DMP's significant performance in predicting drug-microbe associations. It also proves effectiveness in predicting associations for new drugs and microbes in cold start experiments, further confirming its stability and reliability in predicting potential drug-microbe associations.
comment: 10 pages, 8 figures (including subfigures), 1 table. Xin An and Ruijie Li contributed equally to this work and should be considered co-first authors
☆ Focus Your Attention: Towards Data-Intuitive Lightweight Vision Transformers
The evolution of Vision Transformers has led to their widespread adaptation to different domains. Despite large-scale success, there remain significant challenges including their reliance on extensive computational and memory resources for pre-training on huge datasets as well as difficulties in task-specific transfer learning. These limitations coupled with energy inefficiencies mainly arise due to the computation-intensive self-attention mechanism. To address these issues, we propose a novel Super-Pixel Based Patch Pooling (SPPP) technique that generates context-aware, semantically rich, patch embeddings to effectively reduce the architectural complexity and improve efficiency. Additionally, we introduce the Light Latent Attention (LLA) module in our pipeline by integrating latent tokens into the attention mechanism allowing cross-attention operations to significantly reduce the time and space complexity of the attention module. By leveraging the data-intuitive patch embeddings coupled with dynamic positional encodings, our approach adaptively modulates the cross-attention process to focus on informative regions while maintaining the global semantic structure. This targeted attention improves training efficiency and accelerates convergence. Notably, the SPPP module is lightweight and can be easily integrated into existing transformer architectures. Extensive experiments demonstrate that our proposed architecture provides significant improvements in terms of computational efficiency while achieving comparable results with the state-of-the-art approaches, highlighting its potential for energy-efficient transformers suitable for edge deployment. (The code is available on our GitHub repository: https://github.com/zser092/Focused-Attention-ViT).
☆ Shift Happens: Mixture of Experts based Continual Adaptation in Federated Learning
Federated Learning (FL) enables collaborative model training across decentralized clients without sharing raw data, yet faces significant challenges in real-world settings where client data distributions evolve dynamically over time. This paper tackles the critical problem of covariate and label shifts in streaming FL environments, where non-stationary data distributions degrade model performance and require adaptive middleware solutions. We introduce ShiftEx, a shift-aware mixture of experts framework that dynamically creates and trains specialized global models in response to detected distribution shifts using Maximum Mean Discrepancy for covariate shifts. The framework employs a latent memory mechanism for expert reuse and implements facility location-based optimization to jointly minimize covariate mismatch, expert creation costs, and label imbalance. Through theoretical analysis and comprehensive experiments on benchmark datasets, we demonstrate 5.5-12.9 percentage point accuracy improvements and 22-95 % faster adaptation compared to state-of-the-art FL baselines across diverse shift scenarios. The proposed approach offers a scalable, privacy-preserving middleware solution for FL systems operating in non-stationary, real-world conditions while minimizing communication and computational overhead.
☆ Programming by Backprop: LLMs Acquire Reusable Algorithmic Abstractions During Code Training
Training large language models (LLMs) on source code significantly enhances their general-purpose reasoning abilities, but the mechanisms underlying this generalisation are poorly understood. In this paper, we propose Programming by Backprop (PBB) as a potential driver of this effect - teaching a model to evaluate a program for inputs by training on its source code alone, without ever seeing I/O examples. To explore this idea, we finetune LLMs on two sets of programs representing simple maths problems and algorithms: one with source code and I/O examples (w/ IO), the other with source code only (w/o IO). We find evidence that LLMs have some ability to evaluate w/o IO programs for inputs in a range of experimental settings, and make several observations. Firstly, PBB works significantly better when programs are provided as code rather than semantically equivalent language descriptions. Secondly, LLMs can produce outputs for w/o IO programs directly, by implicitly evaluating the program within the forward pass, and more reliably when stepping through the program in-context via chain-of-thought. We further show that PBB leads to more robust evaluation of programs across inputs than training on I/O pairs drawn from a distribution that mirrors naturally occurring data. Our findings suggest a mechanism for enhanced reasoning through code training: it allows LLMs to internalise reusable algorithmic abstractions. Significant scope remains for future work to enable LLMs to more effectively learn from symbolic procedures, and progress in this direction opens other avenues like model alignment by training on formal constitutional principles.
☆ DPG loss functions for learning parameter-to-solution maps by neural networks
We develop, analyze, and experimentally explore residual-based loss functions for machine learning of parameter-to-solution maps in the context of parameter-dependent families of partial differential equations (PDEs). Our primary concern is on rigorous accuracy certification to enhance prediction capability of resulting deep neural network reduced models. This is achieved by the use of variationally correct loss functions. Through one specific example of an elliptic PDE, details for establishing the variational correctness of a loss function from an ultraweak Discontinuous Petrov Galerkin (DPG) discretization are worked out. Despite the focus on the example, the proposed concepts apply to a much wider scope of problems, namely problems for which stable DPG formulations are available. The issue of {high-contrast} diffusion fields and ensuing difficulties with degrading ellipticity are discussed. Both numerical results and theoretical arguments illustrate that for high-contrast diffusion parameters the proposed DPG loss functions deliver much more robust performance than simpler least-squares losses.
☆ Neural Total Variation Distance Estimators for Changepoint Detection in News Data
Detecting when public discourse shifts in response to major events is crucial for understanding societal dynamics. Real-world data is high-dimensional, sparse, and noisy, making changepoint detection in this domain a challenging endeavor. In this paper, we leverage neural networks for changepoint detection in news data, introducing a method based on the so-called learning-by-confusion scheme, which was originally developed for detecting phase transitions in physical systems. We train classifiers to distinguish between articles from different time periods. The resulting classification accuracy is used to estimate the total variation distance between underlying content distributions, where significant distances highlight changepoints. We demonstrate the effectiveness of this method on both synthetic datasets and real-world data from The Guardian newspaper, successfully identifying major historical events including 9/11, the COVID-19 pandemic, and presidential elections. Our approach requires minimal domain knowledge, can autonomously discover significant shifts in public discourse, and yields a quantitative measure of change in content, making it valuable for journalism, policy analysis, and crisis monitoring.
comment: 16 pages, 3 figures
☆ Local Averaging Accurately Distills Manifold Structure From Noisy Data
High-dimensional data are ubiquitous, with examples ranging from natural images to scientific datasets, and often reside near low-dimensional manifolds. Leveraging this geometric structure is vital for downstream tasks, including signal denoising, reconstruction, and generation. However, in practice, the manifold is typically unknown and only noisy samples are available. A fundamental approach to uncovering the manifold structure is local averaging, which is a cornerstone of state-of-the-art provable methods for manifold fitting and denoising. However, to the best of our knowledge, there are no works that rigorously analyze the accuracy of local averaging in a manifold setting in high-noise regimes. In this work, we provide theoretical analyses of a two-round mini-batch local averaging method applied to noisy samples drawn from a $d$-dimensional manifold $\mathcal M \subset \mathbb{R}^D$, under a relatively high-noise regime where the noise size is comparable to the reach $\tau$. We show that with high probability, the averaged point $\hat{\mathbf q}$ achieves the bound $d(\hat{\mathbf q}, \mathcal M) \leq \sigma \sqrt{d\left(1+\frac{\kappa\mathrm{diam}(\mathcal {M})}{\log(D)}\right)}$, where $\sigma, \mathrm{diam(\mathcal M)},\kappa$ denote the standard deviation of the Gaussian noise, manifold's diameter and a bound on its extrinsic curvature, respectively. This is the first analysis of local averaging accuracy over the manifold in the relatively high noise regime where $\sigma \sqrt{D} \approx \tau$. The proposed method can serve as a preprocessing step for a wide range of provable methods designed for lower-noise regimes. Additionally, our framework can provide a theoretical foundation for a broad spectrum of denoising and dimensionality reduction methods that rely on local averaging techniques.
☆ Sensitivity Analysis of Image Classification Models using Generalized Polynomial Chaos
Integrating advanced communication protocols in production has accelerated the adoption of data-driven predictive quality methods, notably machine learning (ML) models. However, ML models in image classification often face significant uncertainties arising from model, data, and domain shifts. These uncertainties lead to overconfidence in the classification model's output. To better understand these models, sensitivity analysis can help to analyze the relative influence of input parameters on the output. This work investigates the sensitivity of image classification models used for predictive quality. We propose modeling the distributional domain shifts of inputs with random variables and quantifying their impact on the model's outputs using Sobol indices computed via generalized polynomial chaos (GPC). This approach is validated through a case study involving a welding defect classification problem, utilizing a fine-tuned ResNet18 model and an emblem classification model used in BMW Group production facilities.
☆ ContinualFlow: Learning and Unlearning with Neural Flow Matching ICML 2025
We introduce ContinualFlow, a principled framework for targeted unlearning in generative models via Flow Matching. Our method leverages an energy-based reweighting loss to softly subtract undesired regions of the data distribution without retraining from scratch or requiring direct access to the samples to be unlearned. Instead, it relies on energy-based proxies to guide the unlearning process. We prove that this induces gradients equivalent to Flow Matching toward a soft mass-subtracted target, and validate the framework through experiments on 2D and image domains, supported by interpretable visualizations and quantitative evaluations.
comment: Accepted at the ICML 2025 Workshop on Machine Unlearning for Generative AI (MUGen @ ICML25, Vancouver, July 2025)
☆ Fast State-Augmented Learning for Wireless Resource Allocation with Dual Variable Regression
We consider resource allocation problems in multi-user wireless networks, where the goal is to optimize a network-wide utility function subject to constraints on the ergodic average performance of users. We demonstrate how a state-augmented graph neural network (GNN) parametrization for the resource allocation policy circumvents the drawbacks of the ubiquitous dual subgradient methods by representing the network configurations (or states) as graphs and viewing dual variables as dynamic inputs to the model, viewed as graph signals supported over the graphs. Lagrangian maximizing state-augmented policies are learned during the offline training phase, and the dual variables evolve through gradient updates while executing the learned state-augmented policies during the inference phase. Our main contributions are to illustrate how near-optimal initialization of dual multipliers for faster inference can be accomplished with dual variable regression, leveraging a secondary GNN parametrization, and how maximization of the Lagrangian over the multipliers sampled from the dual descent dynamics substantially improves the training of state-augmented models. We demonstrate the superior performance of the proposed algorithm with extensive numerical experiments in a case study of transmit power control. Finally, we prove a convergence result and an exponential probability bound on the excursions of the dual function (iterate) optimality gaps.
comment: This work has been submitted to the IEEE TSP for possible publication
☆ Experimenting, Fast and Slow: Bayesian Optimization of Long-term Outcomes with Online Experiments
Online experiments in internet systems, also known as A/B tests, are used for a wide range of system tuning problems, such as optimizing recommender system ranking policies and learning adaptive streaming controllers. Decision-makers generally wish to optimize for long-term treatment effects of the system changes, which often requires running experiments for a long time as short-term measurements can be misleading due to non-stationarity in treatment effects over time. The sequential experimentation strategies--which typically involve several iterations--can be prohibitively long in such cases. We describe a novel approach that combines fast experiments (e.g., biased experiments run only for a few hours or days) and/or offline proxies (e.g., off-policy evaluation) with long-running, slow experiments to perform sequential, Bayesian optimization over large action spaces in a short amount of time.
☆ On the Existence of Universal Simulators of Attention
Prior work on the learnability of transformers has established its capacity to approximate specific algorithmic patterns through training under restrictive architectural assumptions. Fundamentally, these arguments remain data-driven and therefore can only provide a probabilistic guarantee. Expressivity, on the contrary, has theoretically been explored to address the problems \emph{computable} by such architecture. These results proved the Turing-completeness of transformers, investigated bounds focused on circuit complexity, and formal logic. Being at the crossroad between learnability and expressivity, the question remains: \emph{can transformer architectures exactly simulate an arbitrary attention mechanism, or in particular, the underlying operations?} In this study, we investigate the transformer encoder's ability to simulate a vanilla attention mechanism. By constructing a universal simulator $\mathcal{U}$ composed of transformer encoders, we present algorithmic solutions to identically replicate attention outputs and the underlying elementary matrix and activation operations via RASP, a formal framework for transformer computation. Our proofs, for the first time, show the existence of an algorithmically achievable data-agnostic solution, previously known to be approximated only by learning.
☆ Towards Group Fairness with Multiple Sensitive Attributes in Federated Foundation Models
The deep integration of foundation models (FM) with federated learning (FL) enhances personalization and scalability for diverse downstream tasks, making it crucial in sensitive domains like healthcare. Achieving group fairness has become an increasingly prominent issue in the era of federated foundation models (FFMs), since biases in sensitive attributes might lead to inequitable treatment for under-represented demographic groups. Existing studies mostly focus on achieving fairness with respect to a single sensitive attribute. This renders them unable to provide clear interpretability of dependencies among multiple sensitive attributes which is required to achieve group fairness. Our paper takes the first attempt towards a causal analysis of the relationship between group fairness across various sensitive attributes in the FFM. We extend the FFM structure to trade off multiple sensitive attributes simultaneously and quantify the causal effect behind the group fairness through causal discovery and inference. Extensive experiments validate its effectiveness, offering insights into interpretability towards building trustworthy and fair FFM systems.
☆ PARALLELPROMPT: Extracting Parallelism from Large Language Model Queries
LLM serving systems typically treat user prompts as monolithic inputs, optimizing inference through decoding tricks or inter-query batching. However, many real-world prompts contain latent semantic parallelism--decomposable structures where subtasks can be executed independently to reduce latency while preserving meaning. We introduce PARALLELPROMPT, the first benchmark for measuring intra-query parallelism in natural user prompts. Our dataset comprises over 37,000 real-world prompts from public LLM chat logs, each annotated with a structured schema capturing task templates, shared context, and iteration inputs. These schemas are extracted using LLM-assisted prompting with rule-based multilingual validation. To evaluate the benefits of decomposition, we provide an execution suite that benchmarks serial vs. parallel strategies, measuring latency, structural adherence, and semantic fidelity. Our results show that intra-query parallelism can be successfully parsed in over 75% of curated datasets, unlocking up to 5x speedups on tasks like translation, comprehension, and comparative analysis, with minimal quality degradation. By releasing this benchmark, curation pipeline, and evaluation suite, we provide the first standardized testbed for studying structure-aware execution in LLM serving pipelines.
comment: In review
☆ Including Semantic Information via Word Embeddings for Skeleton-based Action Recognition
Effective human action recognition is widely used for cobots in Industry 4.0 to assist in assembly tasks. However, conventional skeleton-based methods often lose keypoint semantics, limiting their effectiveness in complex interactions. In this work, we introduce a novel approach to skeleton-based action recognition that enriches input representations by leveraging word embeddings to encode semantic information. Our method replaces one-hot encodings with semantic volumes, enabling the model to capture meaningful relationships between joints and objects. Through extensive experiments on multiple assembly datasets, we demonstrate that our approach significantly improves classification performance, and enhances generalization capabilities by simultaneously supporting different skeleton types and object classes. Our findings highlight the potential of incorporating semantic information to enhance skeleton-based action recognition in dynamic and diverse environments.
comment: IEEE International Joint Conference on Neural Networks (IJCNN) 2025
☆ Multi-modal Anchor Gated Transformer with Knowledge Distillation for Emotion Recognition in Conversation IJCAI2025
Emotion Recognition in Conversation (ERC) aims to detect the emotions of individual utterances within a conversation. Generating efficient and modality-specific representations for each utterance remains a significant challenge. Previous studies have proposed various models to integrate features extracted using different modality-specific encoders. However, they neglect the varying contributions of modalities to this task and introduce high complexity by aligning modalities at the frame level. To address these challenges, we propose the Multi-modal Anchor Gated Transformer with Knowledge Distillation (MAGTKD) for the ERC task. Specifically, prompt learning is employed to enhance textual modality representations, while knowledge distillation is utilized to strengthen representations of weaker modalities. Furthermore, we introduce a multi-modal anchor gated transformer to effectively integrate utterance-level representations across modalities. Extensive experiments on the IEMOCAP and MELD datasets demonstrate the effectiveness of knowledge distillation in enhancing modality representations and achieve state-of-the-art performance in emotion recognition. Our code is available at: https://github.com/JieLi-dd/MAGTKD.
comment: This paper has been accepted by IJCAI2025
☆ Context Biasing for Pronunciations-Orthography Mismatch in Automatic Speech Recognition
Neural sequence-to-sequence systems deliver state-of-the-art performance for automatic speech recognition. When using appropriate modeling units, e.g., byte-pair encoded characters, these systems are in principal open vocabulary systems. In practice, however, they often fail to recognize words not seen during training, e.g., named entities, acronyms, or domain-specific special words. To address this problem, many context biasing methods have been proposed; however, for words with a pronunciation-orthography mismatch, these methods may still struggle. We propose a method which allows corrections of substitution errors to improve the recognition accuracy of such challenging words. Users can add corrections on the fly during inference. We show that with this method we get a relative improvement in biased word error rate of up to 11\%, while maintaining a competitive overall word error rate.
☆ SaGIF: Improving Individual Fairness in Graph Neural Networks via Similarity Encoding
Individual fairness (IF) in graph neural networks (GNNs), which emphasizes the need for similar individuals should receive similar outcomes from GNNs, has been a critical issue. Despite its importance, research in this area has been largely unexplored in terms of (1) a clear understanding of what induces individual unfairness in GNNs and (2) a comprehensive consideration of identifying similar individuals. To bridge these gaps, we conduct a preliminary analysis to explore the underlying reason for individual unfairness and observe correlations between IF and similarity consistency, a concept introduced to evaluate the discrepancy in identifying similar individuals based on graph structure versus node features. Inspired by our observations, we introduce two metrics to assess individual similarity from two distinct perspectives: topology fusion and feature fusion. Building upon these metrics, we propose Similarity-aware GNNs for Individual Fairness, named SaGIF. The key insight behind SaGIF is the integration of individual similarities by independently learning similarity representations, leading to an improvement of IF in GNNs. Our experiments on several real-world datasets validate the effectiveness of our proposed metrics and SaGIF. Specifically, SaGIF consistently outperforms state-of-the-art IF methods while maintaining utility performance. Code is available at: https://github.com/ZzoomD/SaGIF.
comment: Under review
☆ A Random Matrix Analysis of In-context Memorization for Nonlinear Attention
Attention mechanisms have revolutionized machine learning (ML) by enabling efficient modeling of global dependencies across inputs. Their inherently parallelizable structures allow for efficient scaling with the exponentially increasing size of both pretrained data and model parameters. Yet, despite their central role as the computational backbone of modern large language models (LLMs), the theoretical understanding of Attentions, especially in the nonlinear setting, remains limited. In this paper, we provide a precise characterization of the \emph{in-context memorization error} of \emph{nonlinear Attention}, in the high-dimensional proportional regime where the number of input tokens $n$ and their embedding dimension $p$ are both large and comparable. Leveraging recent advances in the theory of large kernel random matrices, we show that nonlinear Attention typically incurs higher memorization error than linear ridge regression on random inputs. However, this gap vanishes, and can even be reversed, when the input exhibits statistical structure, particularly when the Attention weights align with the input signal direction. Our results reveal how nonlinearity and input structure interact with each other to govern the memorization performance of nonlinear Attention. The theoretical insights are supported by numerical experiments.
comment: 40 pages, 7 pages
☆ Tight Generalization Error Bounds for Stochastic Gradient Descent in Non-convex Learning
Stochastic Gradient Descent (SGD) is fundamental for training deep neural networks, especially in non-convex settings. Understanding SGD's generalization properties is crucial for ensuring robust model performance on unseen data. In this paper, we analyze the generalization error bounds of SGD for non-convex learning by introducing the Type II perturbed SGD (T2pm-SGD), which accommodates both sub-Gaussian and bounded loss functions. The generalization error bound is decomposed into two components: the trajectory term and the flatness term. Our analysis improves the trajectory term to $O(n^{-1})$, significantly enhancing the previous $O((nb)^{-1/2})$ bound for bounded losses, where n is the number of training samples and b is the batch size. By selecting an optimal variance for the perturbation noise, the overall bound is further refined to $O(n^{-2/3})$. For sub-Gaussian loss functions, a tighter trajectory term is also achieved. In both cases, the flatness term remains stable across iterations and is smaller than those reported in previous literature, which increase with iterations. This stability, ensured by T2pm-SGD, leads to tighter generalization error bounds for both loss function types. Our theoretical results are validated through extensive experiments on benchmark datasets, including MNIST and CIFAR-10, demonstrating the effectiveness of T2pm-SGD in establishing tighter generalization bounds.
☆ On Union-Closedness of Language Generation
We investigate language generation in the limit - a model by Kleinberg and Mullainathan [NeurIPS 2024] and extended by Li, Raman, and Tewari [COLT 2025]. While Kleinberg and Mullainathan proved generation is possible for all countable collections, Li et al. defined a hierarchy of generation notions (uniform, non-uniform, and generatable) and explored their feasibility for uncountable collections. Our first set of results resolve two open questions of Li et al. by proving finite unions of generatable or non-uniformly generatable classes need not be generatable. These follow from a stronger result: there is a non-uniformly generatable class and a uniformly generatable class whose union is non-generatable. This adds to the aspects along which language generation in the limit is different from traditional tasks in statistical learning theory like classification, which are closed under finite unions. In particular, it implies that given two generators for different collections, one cannot combine them to obtain a single "more powerful" generator, prohibiting this notion of boosting. Our construction also addresses a third open question of Li et al. on whether there are uncountable classes that are non-uniformly generatable and do not satisfy the eventually unbounded closure (EUC) condition introduced by Li, Raman, and Tewari. Our approach utilizes carefully constructed classes along with a novel diagonalization argument that could be of independent interest in the growing area of language generation.
☆ Federated Loss Exploration for Improved Convergence on Non-IID Data
Federated learning (FL) has emerged as a groundbreaking paradigm in machine learning (ML), offering privacy-preserving collaborative model training across diverse datasets. Despite its promise, FL faces significant hurdles in non-identically and independently distributed (non-IID) data scenarios, where most existing methods often struggle with data heterogeneity and lack robustness in performance. This paper introduces Federated Loss Exploration (FedLEx), an innovative approach specifically designed to tackle these challenges. FedLEx distinctively addresses the shortcomings of existing FL methods in non-IID settings by optimizing its learning behavior for scenarios in which assumptions about data heterogeneity are impractical or unknown. It employs a federated loss exploration technique, where clients contribute to a global guidance matrix by calculating gradient deviations for model parameters. This matrix serves as a strategic compass to guide clients' gradient updates in subsequent FL rounds, thereby fostering optimal parameter updates for the global model. FedLEx effectively navigates the complex loss surfaces inherent in non-IID data, enhancing knowledge transfer in an efficient manner, since only a small number of epochs and small amount of data are required to build a strong global guidance matrix that can achieve model convergence without the need for additional data sharing or data distribution statics in a large client scenario. Our extensive experiments with state-of-the art FL algorithms demonstrate significant improvements in performance, particularly under realistic non-IID conditions, thus highlighting FedLEx's potential to overcome critical barriers in diverse FL applications.
☆ Granular-Ball-Induced Multiple Kernel K-Means IJCAI 2025
Most existing multi-kernel clustering algorithms, such as multi-kernel K-means, often struggle with computational efficiency and robustness when faced with complex data distributions. These challenges stem from their dependence on point-to-point relationships for optimization, which can lead to difficulty in accurately capturing data sets' inherent structure and diversity. Additionally, the intricate interplay between multiple kernels in such algorithms can further exacerbate these issues, effectively impacting their ability to cluster data points in high-dimensional spaces. In this paper, we leverage granular-ball computing to improve the multi-kernel clustering framework. The core of granular-ball computing is to adaptively fit data distribution by balls from coarse to acceptable levels. Each ball can enclose data points based on a density consistency measurement. Such ball-based data description thus improves the computational efficiency and the robustness to unknown noises. Specifically, based on granular-ball representations, we introduce the granular-ball kernel (GBK) and its corresponding granular-ball multi-kernel K-means framework (GB-MKKM) for efficient clustering. Using granular-ball relationships in multiple kernel spaces, the proposed GB-MKKM framework shows its superiority in efficiency and clustering performance in the empirical evaluation of various clustering tasks.
comment: Accepted by IJCAI 2025
☆ ReDit: Reward Dithering for Improved LLM Policy Optimization
DeepSeek-R1 has successfully enhanced Large Language Model (LLM) reasoning capabilities through its rule-based reward system. While it's a ''perfect'' reward system that effectively mitigates reward hacking, such reward functions are often discrete. Our experimental observations suggest that discrete rewards can lead to gradient anomaly, unstable optimization, and slow convergence. To address this issue, we propose ReDit (Reward Dithering), a method that dithers the discrete reward signal by adding simple random noise. With this perturbed reward, exploratory gradients are continuously provided throughout the learning process, enabling smoother gradient updates and accelerating convergence. The injected noise also introduces stochasticity into flat reward regions, encouraging the model to explore novel policies and escape local optima. Experiments across diverse tasks demonstrate the effectiveness and efficiency of ReDit. On average, ReDit achieves performance comparable to vanilla GRPO with only approximately 10% the training steps, and furthermore, still exhibits a 4% performance improvement over vanilla GRPO when trained for a similar duration. Visualizations confirm significant mitigation of gradient issues with ReDit. Moreover, theoretical analyses are provided to further validate these advantages.
comment: 10 pages, 15 figures
☆ Trustworthy Prediction with Gaussian Process Knowledge Scores
Probabilistic models are often used to make predictions in regions of the data space where no observations are available, but it is not always clear whether such predictions are well-informed by previously seen data. In this paper, we propose a knowledge score for predictions from Gaussian process regression (GPR) models that quantifies the extent to which observing data have reduced our uncertainty about a prediction. The knowledge score is interpretable and naturally bounded between 0 and 1. We demonstrate in several experiments that the knowledge score can anticipate when predictions from a GPR model are accurate, and that this anticipation improves performance in tasks such as anomaly detection, extrapolation, and missing data imputation. Source code for this project is available online at https://github.com/KurtButler/GP-knowledge.
comment: 6 pages, 5 figures, to be published in the Proceedings of the European Signal Processing Conference (EUSIPCO)
☆ On Equivariant Model Selection through the Lens of Uncertainty
Equivariant models leverage prior knowledge on symmetries to improve predictive performance, but misspecified architectural constraints can harm it instead. While work has explored learning or relaxing constraints, selecting among pretrained models with varying symmetry biases remains challenging. We examine this model selection task from an uncertainty-aware perspective, comparing frequentist (via Conformal Prediction), Bayesian (via the marginal likelihood), and calibration-based measures to naive error-based evaluation. We find that uncertainty metrics generally align with predictive performance, but Bayesian model evidence does so inconsistently. We attribute this to a mismatch in Bayesian and geometric notions of model complexity, and discuss possible remedies. Our findings point towards the potential of uncertainty in guiding symmetry-aware model selection.
comment: 9 pages, 4 figures, 2 tables. In the 8th Workshop on Tractable Probabilistic Modeling at UAI 2025
☆ Multi-Agent Reinforcement Learning for Inverse Design in Photonic Integrated Circuits
Inverse design of photonic integrated circuits (PICs) has traditionally relied on gradientbased optimization. However, this approach is prone to end up in local minima, which results in suboptimal design functionality. As interest in PICs increases due to their potential for addressing modern hardware demands through optical computing, more adaptive optimization algorithms are needed. We present a reinforcement learning (RL) environment as well as multi-agent RL algorithms for the design of PICs. By discretizing the design space into a grid, we formulate the design task as an optimization problem with thousands of binary variables. We consider multiple two- and three-dimensional design tasks that represent PIC components for an optical computing system. By decomposing the design space into thousands of individual agents, our algorithms are able to optimize designs with only a few thousand environment samples. They outperform previous state-of-the-art gradient-based optimization in both twoand three-dimensional design tasks. Our work may also serve as a benchmark for further exploration of sample-efficient RL for inverse design in photonics.
☆ Pr{é}diction optimale pour un mod{è}le ordinal {à} covariables fonctionnelles
We present a prediction framework for ordinal models: we introduce optimal predictions using loss functions and give the explicit form of the Least-Absolute-Deviation prediction for these models. Then, we reformulate an ordinal model with functional covariates to a classic ordinal model with multiple scalar covariates. We illustrate all the proposed methods and try to apply these to a dataset collected by EssilorLuxottica for the development of a control algorithm for the shade of connected glasses.
comment: in French language, Journ{\'e}es de statistiques, Soci{\'e}t{\'e} Fran\c{c}aise des Statistiques, Jul 2023, Bruxelle- Universit{\'e} Libre de Bruxelles (ULB), Belgique
☆ Policy gradient methods for ordinal policies
In reinforcement learning, the softmax parametrization is the standard approach for policies over discrete action spaces. However, it fails to capture the order relationship between actions. Motivated by a real-world industrial problem, we propose a novel policy parametrization based on ordinal regression models adapted to the reinforcement learning setting. Our approach addresses practical challenges, and numerical experiments demonstrate its effectiveness in real applications and in continuous action tasks, where discretizing the action space and applying the ordinal policy yields competitive performance.
comment: in French language, Journ{\'e}es de statistiques 2025, Soci{\'e}t{\'e} Fran\c{c}aise des Statistiques, Jun 2023, Marseille, France
☆ Simulation-Free Differential Dynamics through Neural Conservation Laws
We present a novel simulation-free framework for training continuous-time diffusion processes over very general objective functions. Existing methods typically involve either prescribing the optimal diffusion process -- which only works for heavily restricted problem formulations -- or require expensive simulation to numerically obtain the time-dependent densities and sample from the diffusion process. In contrast, we propose a coupled parameterization which jointly models a time-dependent density function, or probability path, and the dynamics of a diffusion process that generates this probability path. To accomplish this, our approach directly bakes in the Fokker-Planck equation and density function requirements as hard constraints, by extending and greatly simplifying the construction of Neural Conservation Laws. This enables simulation-free training for a large variety of problem formulations, from data-driven objectives as in generative modeling and dynamical optimal transport, to optimality-based objectives as in stochastic optimal control, with straightforward extensions to mean-field objectives due to the ease of accessing exact density functions. We validate our method in a diverse range of application domains from modeling spatio-temporal events to learning optimal dynamics from population data.
☆ BulletGen: Improving 4D Reconstruction with Bullet-Time Generation
Transforming casually captured, monocular videos into fully immersive dynamic experiences is a highly ill-posed task, and comes with significant challenges, e.g., reconstructing unseen regions, and dealing with the ambiguity in monocular depth estimation. In this work we introduce BulletGen, an approach that takes advantage of generative models to correct errors and complete missing information in a Gaussian-based dynamic scene representation. This is done by aligning the output of a diffusion-based video generation model with the 4D reconstruction at a single frozen "bullet-time" step. The generated frames are then used to supervise the optimization of the 4D Gaussian model. Our method seamlessly blends generative content with both static and dynamic scene components, achieving state-of-the-art results on both novel-view synthesis, and 2D/3D tracking tasks.
☆ No Training Wheels: Steering Vectors for Bias Correction at Inference Time
Neural network classifiers trained on datasets with uneven group representation often inherit class biases and learn spurious correlations. These models may perform well on average but consistently fail on atypical groups. For example, in hair color classification, datasets may over-represent females with blond hair, reinforcing stereotypes. Although various algorithmic and data-centric methods have been proposed to address such biases, they often require retraining or significant compute. In this work, we propose a cheap, training-free method inspired by steering vectors used to edit behaviors in large language models. We compute the difference in mean activations between majority and minority groups to define a "bias vector," which we subtract from the model's residual stream. This leads to reduced classification bias and improved worst-group accuracy. We explore multiple strategies for extracting and applying these vectors in transformer-like classifiers, showing that steering vectors, traditionally used in generative models, can also be effective in classification. More broadly, we showcase an extremely cheap, inference time, training free method to mitigate bias in classification models.
☆ SpaNN: Detecting Multiple Adversarial Patches on CNNs by Spanning Saliency Thresholds
State-of-the-art convolutional neural network models for object detection and image classification are vulnerable to physically realizable adversarial perturbations, such as patch attacks. Existing defenses have focused, implicitly or explicitly, on single-patch attacks, leaving their sensitivity to the number of patches as an open question or rendering them computationally infeasible or inefficient against attacks consisting of multiple patches in the worst cases. In this work, we propose SpaNN, an attack detector whose computational complexity is independent of the expected number of adversarial patches. The key novelty of the proposed detector is that it builds an ensemble of binarized feature maps by applying a set of saliency thresholds to the neural activations of the first convolutional layer of the victim model. It then performs clustering on the ensemble and uses the cluster features as the input to a classifier for attack detection. Contrary to existing detectors, SpaNN does not rely on a fixed saliency threshold for identifying adversarial regions, which makes it robust against white box adversarial attacks. We evaluate SpaNN on four widely used data sets for object detection and classification, and our results show that SpaNN outperforms state-of-the-art defenses by up to 11 and 27 percentage points in the case of object detection and the case of image classification, respectively. Our code is available at https://github.com/gerkbyrd/SpaNN.
comment: 2025 IEEE Conference on Secure and Trustworthy Machine Learning (SaTML2025)
☆ Optimization-Induced Dynamics of Lipschitz Continuity in Neural Networks
Lipschitz continuity characterizes the worst-case sensitivity of neural networks to small input perturbations; yet its dynamics (i.e. temporal evolution) during training remains under-explored. We present a rigorous mathematical framework to model the temporal evolution of Lipschitz continuity during training with stochastic gradient descent (SGD). This framework leverages a system of stochastic differential equations (SDEs) to capture both deterministic and stochastic forces. Our theoretical analysis identifies three principal factors driving the evolution: (i) the projection of gradient flows, induced by the optimization dynamics, onto the operator-norm Jacobian of parameter matrices; (ii) the projection of gradient noise, arising from the randomness in mini-batch sampling, onto the operator-norm Jacobian; and (iii) the projection of the gradient noise onto the operator-norm Hessian of parameter matrices. Furthermore, our theoretical framework sheds light on such as how noisy supervision, parameter initialization, batch size, and mini-batch sampling trajectories, among other factors, shape the evolution of the Lipschitz continuity of neural networks. Our experimental results demonstrate strong agreement between the theoretical implications and the observed behaviors.
☆ Transformer World Model for Sample Efficient Multi-Agent Reinforcement Learning
We present the Multi-Agent Transformer World Model (MATWM), a novel transformer-based world model designed for multi-agent reinforcement learning in both vector- and image-based environments. MATWM combines a decentralized imagination framework with a semi-centralized critic and a teammate prediction module, enabling agents to model and anticipate the behavior of others under partial observability. To address non-stationarity, we incorporate a prioritized replay mechanism that trains the world model on recent experiences, allowing it to adapt to agents' evolving policies. We evaluated MATWM on a broad suite of benchmarks, including the StarCraft Multi-Agent Challenge, PettingZoo, and MeltingPot. MATWM achieves state-of-the-art performance, outperforming both model-free and prior world model approaches, while demonstrating strong sample efficiency, achieving near-optimal performance in as few as 50K environment interactions. Ablation studies confirm the impact of each component, with substantial gains in coordination-heavy tasks.
☆ End-to-End Spoken Grammatical Error Correction
Grammatical Error Correction (GEC) and feedback play a vital role in supporting second language (L2) learners, educators, and examiners. While written GEC is well-established, spoken GEC (SGEC), aiming to provide feedback based on learners' speech, poses additional challenges due to disfluencies, transcription errors, and the lack of structured input. SGEC systems typically follow a cascaded pipeline consisting of Automatic Speech Recognition (ASR), disfluency detection, and GEC, making them vulnerable to error propagation across modules. This work examines an End-to-End (E2E) framework for SGEC and feedback generation, highlighting challenges and possible solutions when developing these systems. Cascaded, partial-cascaded and E2E architectures are compared, all built on the Whisper foundation model. A challenge for E2E systems is the scarcity of GEC labeled spoken data. To address this, an automatic pseudo-labeling framework is examined, increasing the training data from 77 to over 2500 hours. To improve the accuracy of the SGEC system, additional contextual information, exploiting the ASR output, is investigated. Candidate feedback of their mistakes is an essential step to improving performance. In E2E systems the SGEC output must be compared with an estimate of the fluent transcription to obtain the feedback. To improve the precision of this feedback, a novel reference alignment process is proposed that aims to remove hypothesised edits that results from fluent transcription errors. Finally, these approaches are combined with an edit confidence estimation approach, to exclude low-confidence edits. Experiments on the in-house Linguaskill (LNG) corpora and the publicly available Speak & Improve (S&I) corpus show that the proposed approaches significantly boost E2E SGEC performance.
comment: This work has been submitted to the IEEE for possible publication
☆ A Set-to-Set Distance Measure in Hyperbolic Space
We propose a hyperbolic set-to-set distance measure for computing dissimilarity between sets in hyperbolic space. While point-to-point distances in hyperbolic space effectively capture hierarchical relationships between data points, many real-world applications require comparing sets of hyperbolic data points, where the local structure and the global structure of the sets carry crucial semantic information. The proposed the \underline{h}yperbolic \underline{s}et-\underline{to}-\underline{s}et \underline{d}istance measure (HS2SD) integrates both global and local structural information: global structure through geodesic distances between Einstein midpoints of hyperbolic sets, and local structure through topological characteristics of the two sets. To efficiently compute topological differences, we prove that using a finite Thue-Morse sequence of degree and adjacency matrices can serve as a robust approximation to capture the topological structure of a set. In this case, by considering the topological differences, HS2SD provides a more nuanced understanding of the relationships between two hyperbolic sets. Empirical evaluation on entity matching, standard image classification, and few-shot image classification demonstrates that our distance measure outperforms existing methods by effectively modeling the hierarchical and complex relationships inherent in hyperbolic sets.
comment: 24 pages
☆ Federated Learning from Molecules to Processes: A Perspective
We present a perspective on federated learning in chemical engineering that envisions collaborative efforts in machine learning (ML) developments within the chemical industry. Large amounts of chemical and process data are proprietary to chemical companies and are therefore locked in data silos, hindering the training of ML models on large data sets in chemical engineering. Recently, the concept of federated learning has gained increasing attention in ML research, enabling organizations to jointly train machine learning models without disclosure of their individual data. We discuss potential applications of federated learning in several fields of chemical engineering, from the molecular to the process scale. In addition, we apply federated learning in two exemplary case studies that simulate practical scenarios of multiple chemical companies holding proprietary data sets: (i) prediction of binary mixture activity coefficients with graph neural networks and (ii) system identification of a distillation column with autoencoders. Our results indicate that ML models jointly trained with federated learning yield significantly higher accuracy than models trained by each chemical company individually and can perform similarly to models trained on combined datasets from all companies. Federated learning has therefore great potential to advance ML models in chemical engineering while respecting corporate data privacy, making it promising for future industrial applications.
☆ DDOT: A Derivative-directed Dual-decoder Ordinary Differential Equation Transformer for Dynamic System Modeling
Uncovering the underlying ordinary differential equations (ODEs) that govern dynamic systems is crucial for advancing our understanding of complex phenomena. Traditional symbolic regression methods often struggle to capture the temporal dynamics and intervariable correlations inherent in ODEs. ODEFormer, a state-of-the-art method for inferring multidimensional ODEs from single trajectories, has made notable progress. However, its focus on single-trajectory evaluation is highly sensitive to initial starting points, which may not fully reflect true performance. To address this, we propose the divergence difference metric (DIV-diff), which evaluates divergence over a grid of points within the target region, offering a comprehensive and stable analysis of the variable space. Alongside, we introduce DDOT (Derivative-Directed Dual-Decoder Ordinary Differential Equation Transformer), a transformer-based model designed to reconstruct multidimensional ODEs in symbolic form. By incorporating an auxiliary task predicting the ODE's derivative, DDOT effectively captures both structure and dynamic behavior. Experiments on ODEBench show DDOT outperforms existing symbolic regression methods, achieving an absolute improvement of 4.58% and 1.62% in $P(R^2 > 0.9)$ for reconstruction and generalization tasks, respectively, and an absolute reduction of 3.55% in DIV-diff. Furthermore, DDOT demonstrates real-world applicability on an anesthesia dataset, highlighting its practical impact.
☆ Theoretical guarantees for neural estimators in parametric statistics
Neural estimators are simulation-based estimators for the parameters of a family of statistical models, which build a direct mapping from the sample to the parameter vector. They benefit from the versatility of available network architectures and efficient training methods developed in the field of deep learning. Neural estimators are amortized in the sense that, once trained, they can be applied to any new data set with almost no computational cost. While many papers have shown very good performance of these methods in simulation studies and real-world applications, so far no statistical guarantees are available to support these observations theoretically. In this work, we study the risk of neural estimators by decomposing it into several terms that can be analyzed separately. We formulate easy-to-check assumptions ensuring that each term converges to zero, and we verify them for popular applications of neural estimators. Our results provide a general recipe to derive theoretical guarantees also for broader classes of architectures and estimation problems.
☆ PuckTrick: A Library for Making Synthetic Data More Realistic
The increasing reliance on machine learning (ML) models for decision-making requires high-quality training data. However, access to real-world datasets is often restricted due to privacy concerns, proprietary restrictions, and incomplete data availability. As a result, synthetic data generation (SDG) has emerged as a viable alternative, enabling the creation of artificial datasets that preserve the statistical properties of real data while ensuring privacy compliance. Despite its advantages, synthetic data is often overly clean and lacks real-world imperfections, such as missing values, noise, outliers, and misclassified labels, which can significantly impact model generalization and robustness. To address this limitation, we introduce Pucktrick, a Python library designed to systematically contaminate synthetic datasets by introducing controlled errors. The library supports multiple error types, including missing data, noisy values, outliers, label misclassification, duplication, and class imbalance, offering a structured approach to evaluating ML model resilience under real-world data imperfections. Pucktrick provides two contamination modes: one for injecting errors into clean datasets and another for further corrupting already contaminated datasets. Through extensive experiments on real-world financial datasets, we evaluate the impact of systematic data contamination on model performance. Our findings demonstrate that ML models trained on contaminated synthetic data outperform those trained on purely synthetic, error-free data, particularly for tree-based and linear models such as SVMs and Extra Trees.
comment: 17 pages, 3 figures
☆ Leveraging neural network interatomic potentials for a foundation model of chemistry
Large-scale foundation models, including neural network interatomic potentials (NIPs) in computational materials science, have demonstrated significant potential. However, despite their success in accelerating atomistic simulations, NIPs face challenges in directly predicting electronic properties and often require coupling to higher-scale models or extensive simulations for macroscopic properties. Machine learning (ML) offers alternatives for structure-to-property mapping but faces trade-offs: feature-based methods often lack generalizability, while deep neural networks require significant data and computational power. To address these trade-offs, we introduce HackNIP, a two-stage pipeline that leverages pretrained NIPs. This method first extracts fixed-length feature vectors (embeddings) from NIP foundation models and then uses these embeddings to train shallow ML models for downstream structure-to-property predictions. This study investigates whether such a hybridization approach, by ``hacking" the NIP, can outperform end-to-end deep neural networks, determines the dataset size at which this transfer learning approach surpasses direct fine-tuning of the NIP, and identifies which NIP embedding depths yield the most informative features. HackNIP is benchmarked on Matbench, evaluated for data efficiency, and tested on diverse tasks including \textit{ab initio}, experimental, and molecular properties. We also analyze how embedding depth impacts performance. This work demonstrates a hybridization strategy to overcome ML trade-offs in materials science, aiming to democratize high-performance predictive modeling.
comment: 29pages, 10 figures
☆ AnalogNAS-Bench: A NAS Benchmark for Analog In-Memory Computing
Analog In-memory Computing (AIMC) has emerged as a highly efficient paradigm for accelerating Deep Neural Networks (DNNs), offering significant energy and latency benefits over conventional digital hardware. However, state-of-the-art neural networks are not inherently designed for AIMC, as they fail to account for its unique non-idealities. Neural Architecture Search (NAS) is thus needed to systematically discover neural architectures optimized explicitly for AIMC constraints. However, comparing NAS methodologies and extracting insights about robust architectures for AIMC requires a dedicated NAS benchmark that explicitly accounts for AIMC-specific hardware non-idealities. To address this, we introduce AnalogNAS-Bench, the first NAS benchmark tailored specifically for AIMC. Our study reveals three key insights: (1) standard quantization techniques fail to capture AIMC-specific noises, (2) robust architectures tend to feature wider and branched blocks, (3) skip connections improve resilience to temporal drift noise. These insights highlight the limitations of current NAS benchmarks for AIMC and pave the way for future analog-aware NAS. All the implementations used in this paper can be found at https://github.com/IBM/analog-nas/tree/main/analognasbench.
☆ Reliability-Adjusted Prioritized Experience Replay
Experience replay enables data-efficient learning from past experiences in online reinforcement learning agents. Traditionally, experiences were sampled uniformly from a replay buffer, regardless of differences in experience-specific learning potential. In an effort to sample more efficiently, researchers introduced Prioritized Experience Replay (PER). In this paper, we propose an extension to PER by introducing a novel measure of temporal difference error reliability. We theoretically show that the resulting transition selection algorithm, Reliability-adjusted Prioritized Experience Replay (ReaPER), enables more efficient learning than PER. We further present empirical results showing that ReaPER outperforms PER across various environment types, including the Atari-5 benchmark.
☆ FREQuency ATTribution: Benchmarking Frequency-based Occlusion for Time Series Data
Deep neural networks are among the most successful algorithms in terms of performance and scalability in different domains. However, since these networks are black boxes, their usability is severely restricted due to the lack of interpretability. Existing interpretability methods do not address the analysis of time-series-based networks specifically enough. This paper shows that an analysis in the frequency domain can not only highlight relevant areas in the input signal better than existing methods, but is also more robust to fluctuations in the signal. In this paper, FreqATT is presented, a framework that enables post-hoc networks to interpret time series analysis. To achieve this, the relevant different frequencies are evaluated and the signal is either filtered or the relevant input data is marked.
comment: 18 pages, 12 figures, 2 tables
☆ A Deep Convolutional Neural Network-Based Novel Class Balancing for Imbalance Data Segmentation
Retinal fundus images provide valuable insights into the human eye's interior structure and crucial features, such as blood vessels, optic disk, macula, and fovea. However, accurate segmentation of retinal blood vessels can be challenging due to imbalanced data distribution and varying vessel thickness. In this paper, we propose BLCB-CNN, a novel pipeline based on deep learning and bi-level class balancing scheme to achieve vessel segmentation in retinal fundus images. The BLCB-CNN scheme uses a Convolutional Neural Network (CNN) architecture and an empirical approach to balance the distribution of pixels across vessel and non-vessel classes and within thin and thick vessels. Level-I is used for vessel/non-vessel balancing and Level-II is used for thick/thin vessel balancing. Additionally, pre-processing of the input retinal fundus image is performed by Global Contrast Normalization (GCN), Contrast Limited Adaptive Histogram Equalization (CLAHE), and gamma corrections to increase intensity uniformity as well as to enhance the contrast between vessels and background pixels. The resulting balanced dataset is used for classification-based segmentation of the retinal vascular tree. We evaluate the proposed scheme on standard retinal fundus images and achieve superior performance measures, including an area under the ROC curve of 98.23%, Accuracy of 96.22%, Sensitivity of 81.57%, and Specificity of 97.65%. We also demonstrate the method's efficacy through external cross-validation on STARE images, confirming its generalization ability.
comment: This is preprint of the paper submitted to Scientific Reports journal
☆ A Motivational Architecture for Open-Ended Learning Challenges in Robots
Developing agents capable of autonomously interacting with complex and dynamic environments, where task structures may change over time and prior knowledge cannot be relied upon, is a key prerequisite for deploying artificial systems in real-world settings. The open-ended learning framework identifies the core challenges for creating such agents, including the ability to autonomously generate new goals, acquire the necessary skills (or curricula of skills) to achieve them, and adapt to non-stationary environments. While many existing works tackles various aspects of these challenges in isolation, few propose integrated solutions that address them simultaneously. In this paper, we introduce H-GRAIL, a hierarchical architecture that, through the use of different typologies of intrinsic motivations and interconnected learning mechanisms, autonomously discovers new goals, learns the required skills for their achievement, generates skill sequences for tackling interdependent tasks, and adapts to non-stationary environments. We tested H-GRAIL in a real robotic scenario, demonstrating how the proposed solutions effectively address the various challenges of open-ended learning.
comment: Accepted to RLDM 2025
☆ New Hardness Results for Low-Rank Matrix Completion
The low-rank matrix completion problem asks whether a given real matrix with missing values can be completed so that the resulting matrix has low rank or is close to a low-rank matrix. The completed matrix is often required to satisfy additional structural constraints, such as positive semi-definiteness or a bounded infinity norm. The problem arises in various research fields, including machine learning, statistics, and theoretical computer science, and has broad real-world applications. This paper presents new $\mathsf{NP} $-hardness results for low-rank matrix completion problems. We show that for every sufficiently large integer $d$ and any real number $\varepsilon \in [ 2^{-O(d)},\frac{1}{7}]$, given a partial matrix $A$ with exposed values of magnitude at most $1$ that admits a positive semi-definite completion of rank $d$, it is $\mathsf{NP}$-hard to find a positive semi-definite matrix that agrees with each given value of $A$ up to an additive error of at most $\varepsilon$, even when the rank is allowed to exceed $d$ by a multiplicative factor of $O (\frac{1}{\varepsilon ^2 \cdot \log(1/\varepsilon)} )$. This strengthens a result of Hardt, Meka, Raghavendra, and Weitz (COLT, 2014), which applies to multiplicative factors smaller than $2$ and to $\varepsilon $ that decays polynomially in $d$. We establish similar $\mathsf{NP}$-hardness results for the case where the completed matrix is constrained to have a bounded infinity norm (rather than be positive semi-definite), for which all previous hardness results rely on complexity assumptions related to the Unique Games Conjecture. Our proofs involve a novel notion of nearly orthonormal representations of graphs, the concept of line digraphs, and bounds on the rank of perturbed identity matrices.
comment: 27 pages
☆ How Robust is Model Editing after Fine-Tuning? An Empirical Study on Text-to-Image Diffusion Models
Model editing offers a low-cost technique to inject or correct a particular behavior in a pre-trained model without extensive retraining, supporting applications such as factual correction and bias mitigation. Despite this common practice, it remains unknown whether edits persist after fine-tuning or whether they are inadvertently reversed. This question has fundamental practical implications. For example, if fine-tuning removes prior edits, it could serve as a defence mechanism against hidden malicious edits. Vice versa, the unintended removal of edits related to bias mitigation could pose serious safety concerns. We systematically investigate the interaction between model editing and fine-tuning in the context of T2I diffusion models, which are known to exhibit biases and generate inappropriate content. Our study spans two T2I model families (Stable Diffusion and FLUX), two sota editing techniques, and three fine-tuning methods (DreamBooth, LoRA, and DoRA). Through an extensive empirical analysis across diverse editing tasks and evaluation metrics, our findings reveal a trend: edits generally fail to persist through fine-tuning, even when fine-tuning is tangential or unrelated to the edits. Notably, we observe that DoRA exhibits the strongest edit reversal effect. At the same time, among editing methods, UCE demonstrates greater robustness, retaining significantly higher efficacy post-fine-tuning compared to ReFACT. These findings highlight a crucial limitation in current editing methodologies, emphasizing the need for more robust techniques to ensure reliable long-term control and alignment of deployed AI systems. These findings have dual implications for AI safety: they suggest that fine-tuning could serve as a remediation mechanism for malicious edits while simultaneously highlighting the need for re-editing after fine-tuning to maintain beneficial safety and alignment properties.
☆ ADNF-Clustering: An Adaptive and Dynamic Neuro-Fuzzy Clustering for Leukemia Prediction
Leukemia diagnosis and monitoring rely increasingly on high-throughput image data, yet conventional clustering methods lack the flexibility to accommodate evolving cellular patterns and quantify uncertainty in real time. We introduce Adaptive and Dynamic Neuro-Fuzzy Clustering, a novel streaming-capable framework that combines Convolutional Neural Network-based feature extraction with an online fuzzy clustering engine. ADNF initializes soft partitions via Fuzzy C-Means, then continuously updates micro-cluster centers, densities, and fuzziness parameters using a Fuzzy Temporal Index (FTI) that measures entropy evolution. A topology refinement stage performs density-weighted merging and entropy-guided splitting to guard against over- and under-segmentation. On the C-NMC leukemia microscopy dataset, our tool achieves a silhouette score of 0.51, demonstrating superior cohesion and separation over static baselines. The method's adaptive uncertainty modeling and label-free operation hold immediate potential for integration within the INFANT pediatric oncology network, enabling scalable, up-to-date support for personalized leukemia management.
comment: 6 pages, 1 figure, under review
☆ LOGICPO: Efficient Translation of NL-based Logical Problems to FOL using LLMs and Preference Optimization
Logical reasoning is a key task for artificial intelligence due to it's role in major downstream tasks such as Question Answering, Summarization. Recent methods in improving the reasoning ability of LLMs fall short in correctly converting a natural language reasoning problem to an equivalent logical formulation, which hinders the framework's overall ability to reason. Towards this, we propose to use finetuning on a preference optimization dataset to learn to parse and represent a natural language problem as a whole to a consistent logical program by 1) introducing a new supervised and preference optimization dataset LogicPO, and 2) adopting popular techniques such as Direct Preference Optimization (DPO), Kahneman-Tversky optimization (KTO) to finetune open-source LLMs. Our best model with Phi-3.5 consistently outperforms GPT-3.5-turbo's (8-shot) by producing 10% more logically correct and with 14% less syntax errors. Through the framework and our improved evaluation metrics, we offer a promising direction in improving the logical reasoning of LLMs by better representing them in their logical formulations.
☆ PERSCEN: Learning Personalized Interaction Pattern and Scenario Preference for Multi-Scenario Matching KDD 2025
With the expansion of business scales and scopes on online platforms, multi-scenario matching has become a mainstream solution to reduce maintenance costs and alleviate data sparsity. The key to effective multi-scenario recommendation lies in capturing both user preferences shared across all scenarios and scenario-aware preferences specific to each scenario. However, existing methods often overlook user-specific modeling, limiting the generation of personalized user representations. To address this, we propose PERSCEN, an innovative approach that incorporates user-specific modeling into multi-scenario matching. PERSCEN constructs a user-specific feature graph based on user characteristics and employs a lightweight graph neural network to capture higher-order interaction patterns, enabling personalized extraction of preferences shared across scenarios. Additionally, we leverage vector quantization techniques to distil scenario-aware preferences from users' behavior sequence within individual scenarios, facilitating user-specific and scenario-aware preference modeling. To enhance efficient and flexible information transfer, we introduce a progressive scenario-aware gated linear unit that allows fine-grained, low-latency fusion. Extensive experiments demonstrate that PERSCEN outperforms existing methods. Further efficiency analysis confirms that PERSCEN effectively balances performance with computational cost, ensuring its practicality for real-world industrial systems.
comment: Accepted by KDD 2025
☆ SlimMoE: Structured Compression of Large MoE Models via Expert Slimming and Distillation
The Mixture of Experts (MoE) architecture has emerged as a powerful paradigm for scaling large language models (LLMs) while maintaining inference efficiency. However, their enormous memory requirements make them prohibitively expensive to fine-tune or deploy in resource-constrained environments. To address this challenge, we introduce SlimMoE, a multi-stage compression framework for transforming large MoE models into much smaller, efficient variants without incurring the prohibitive costs of training from scratch. Our method systematically reduces parameter counts by slimming experts and transferring knowledge through intermediate stages, effectively mitigating the performance degradation common in one-shot pruning approaches. Using this framework, we compress Phi 3.5-MoE (41.9B total/6.6B activated parameters) to create Phi-mini-MoE (7.6B total/2.4B activated parameters) and Phi-tiny-MoE (3.8B total/1.1B activated parameters) using only 400B tokens--less than 10% of the original model's training data. These compressed models can be fine-tuned on a single GPU (A100 for Phi-mini-MoE, A6000 for Phi-tiny-MoE), making them highly suitable for academic and resource-limited settings. Our experiments demonstrate that these compressed models outperform others of similar size and remain competitive with larger models. For instance, Phi-mini-MoE achieves similar or better performance to Phi-3-mini using only 2/3 of the activated parameters and yields comparable MMLU scores to Llama 3.1 8B despite having significantly lower latency. Our findings demonstrate that structured pruning combined with staged distillation offers an effective path to creating high-quality, compact MoE models, paving the way for broader adoption of MoE architectures. We make our models publicly available at https://huggingface.co/microsoft/Phi-mini-MoE-instruct and https://huggingface.co/microsoft/Phi-tiny-MoE-instruct .
☆ Dynamic Hybrid Modeling: Incremental Identification and Model Predictive Control
Mathematical models are crucial for optimizing and controlling chemical processes, yet they often face significant limitations in terms of computational time, algorithm complexity, and development costs. Hybrid models, which combine mechanistic models with data-driven models (i.e. models derived via the application of machine learning to experimental data), have emerged as a promising solution to these challenges. However, the identification of dynamic hybrid models remains difficult due to the need to integrate data-driven models within mechanistic model structures. We present an incremental identification approach for dynamic hybrid models that decouples the mechanistic and data-driven components to overcome computational and conceptual difficulties. Our methodology comprises four key steps: (1) regularized dynamic parameter estimation to determine optimal time profiles for flux variables, (2) correlation analysis to evaluate relationships between variables, (3) data-driven model identification using advanced machine learning techniques, and (4) hybrid model integration to combine the mechanistic and data-driven components. This approach facilitates early evaluation of model structure suitability, accelerates the development of hybrid models, and allows for independent identification of data-driven components. Three case studies are presented to illustrate the robustness, reliability, and efficiency of our incremental approach in handling complex systems and scenarios with limited data.
comment: 18 pages, 10 Figures
☆ Controlled Generation with Equivariant Variational Flow Matching
We derive a controlled generation objective within the framework of Variational Flow Matching (VFM), which casts flow matching as a variational inference problem. We demonstrate that controlled generation can be implemented two ways: (1) by way of end-to-end training of conditional generative models, or (2) as a Bayesian inference problem, enabling post hoc control of unconditional models without retraining. Furthermore, we establish the conditions required for equivariant generation and provide an equivariant formulation of VFM tailored for molecular generation, ensuring invariance to rotations, translations, and permutations. We evaluate our approach on both uncontrolled and controlled molecular generation, achieving state-of-the-art performance on uncontrolled generation and outperforming state-of-the-art models in controlled generation, both with end-to-end training and in the Bayesian inference setting. This work strengthens the connection between flow-based generative modeling and Bayesian inference, offering a scalable and principled framework for constraint-driven and symmetry-aware generation.
☆ Structured Kolmogorov-Arnold Neural ODEs for Interpretable Learning and Symbolic Discovery of Nonlinear Dynamics
Understanding and modeling nonlinear dynamical systems is a fundamental problem across scientific and engineering domains. While deep learning has demonstrated remarkable potential for learning complex system behavior, achieving models that are both highly accurate and physically interpretable remains a major challenge. To address this, we propose Structured Kolmogorov-Arnold Neural ODEs (SKANODEs), a novel framework that integrates structured state-space modeling with the Kolmogorov-Arnold Network (KAN). SKANODE first employs a fully trainable KAN as a universal function approximator within a structured Neural ODE framework to perform virtual sensing, recovering latent states that correspond to physically interpretable quantities such as positions and velocities. Once this structured latent representation is established, we exploit the symbolic regression capability of KAN to extract compact and interpretable expressions for the system's governing dynamics. The resulting symbolic expression is then substituted back into the Neural ODE framework and further calibrated through continued training to refine its coefficients, enhancing both the precision of the discovered equations and the predictive accuracy of system responses. Extensive experiments on both simulated and real-world systems demonstrate that SKANODE achieves superior performance while offering interpretable, physics-consistent models that uncover the underlying mechanisms of nonlinear dynamical systems.
☆ Confucius3-Math: A Lightweight High-Performance Reasoning LLM for Chinese K-12 Mathematics Learning
We introduce Confucius3-Math, an open-source large language model with 14B parameters that (1) runs efficiently on a single consumer-grade GPU; (2) achieves SOTA performances on a range of mathematical reasoning tasks, outperforming many models with significantly larger sizes. In particular, as part of our mission to enhancing education and knowledge dissemination with AI, Confucius3-Math is specifically committed to mathematics learning for Chinese K-12 students and educators. Built via post-training with large-scale reinforcement learning (RL), Confucius3-Math aligns with national curriculum and excels at solving main-stream Chinese K-12 mathematical problems with low cost. In this report we share our development recipe, the challenges we encounter and the techniques we develop to overcome them. In particular, we introduce three technical innovations: Targeted Entropy Regularization, Recent Sample Recovery and Policy-Specific Hardness Weighting. These innovations encompass a new entropy regularization, a novel data scheduling policy, and an improved group-relative advantage estimator. Collectively, they significantly stabilize the RL training, improve data efficiency, and boost performance. Our work demonstrates the feasibility of building strong reasoning models in a particular domain at low cost. We open-source our model and code at https://github.com/netease-youdao/Confucius3-Math.
☆ Escaping the SpuriVerse: Can Large Vision-Language Models Generalize Beyond Seen Spurious Correlations?
Finetuning can cause spurious correlations to arise between non-essential features and the target labels, but benchmarks to study these effects involve contrived settings and narrow tasks. In contrast, we consider spurious correlations in multi-modal Large Vision Language Models (LVLMs) pretrained on extensive and diverse datasets without explicit task supervision. We develop a benchmark by sourcing GPT-4o errors on real-world visual-question-answering (VQA) benchmarks, then curating a subset through LVLM-human annotation and synthetic counterfactual evaluation to identify errors caused by spurious correlations. This process yields SpuriVerse, a novel benchmark comprised of 124 distinct types of spurious correlations extracted from real-world datasets, each containing 1 realistic and 10 synthetic VQA samples for a total of 1364 multiple choice questions. We evaluate 15 open and closed-source LVLMs on SpuriVerse, finding that even state-of-the-art closed-source models struggle significantly, achieving at best only 37.1% accuracy. Fine-tuning on synthetic examples that emphasize the spurious correlation improves performance to 78.40%, suggesting that training on diverse spurious patterns generalizes to unseen situations: models appear to learn to avoid "shortcuts" and attend to the overall image context.
☆ BrainSymphony: A Transformer-Driven Fusion of fMRI Time Series and Structural Connectivity
Existing foundation models for neuroimaging are often prohibitively large and data-intensive. We introduce BrainSymphony, a lightweight, parameter-efficient foundation model that achieves state-of-the-art performance while being pre-trained on significantly smaller public datasets. BrainSymphony's strong multimodal architecture processes functional MRI data through parallel spatial and temporal transformer streams, which are then efficiently distilled into a unified representation by a Perceiver module. Concurrently, it models structural connectivity from diffusion MRI using a novel signed graph transformer to encode the brain's anatomical structure. These powerful, modality-specific representations are then integrated via an adaptive fusion gate. Despite its compact design, our model consistently outperforms larger models on a diverse range of downstream benchmarks, including classification, prediction, and unsupervised network identification tasks. Furthermore, our model revealed novel insights into brain dynamics using attention maps on a unique external psilocybin neuroimaging dataset (pre- and post-administration). BrainSymphony establishes that architecturally-aware, multimodal models can surpass their larger counterparts, paving the way for more accessible and powerful research in computational neuroscience.
comment: 21 pages, 8 figures
☆ Sharpening the Spear: Adaptive Expert-Guided Adversarial Attack Against DRL-based Autonomous Driving Policies
Deep reinforcement learning (DRL) has emerged as a promising paradigm for autonomous driving. However, despite their advanced capabilities, DRL-based policies remain highly vulnerable to adversarial attacks, posing serious safety risks in real-world deployments. Investigating such attacks is crucial for revealing policy vulnerabilities and guiding the development of more robust autonomous systems. While prior attack methods have made notable progress, they still face several challenges: 1) they often rely on high-frequency attacks, yet critical attack opportunities are typically context-dependent and temporally sparse, resulting in inefficient attack patterns; 2) restricting attack frequency can improve efficiency but often results in unstable training due to the adversary's limited exploration. To address these challenges, we propose an adaptive expert-guided adversarial attack method that enhances both the stability and efficiency of attack policy training. Our method first derives an expert policy from successful attack demonstrations using imitation learning, strengthened by an ensemble Mixture-of-Experts architecture for robust generalization across scenarios. This expert policy then guides a DRL-based adversary through a KL-divergence regularization term. Due to the diversity of scenarios, expert policies may be imperfect. To address this, we further introduce a performance-aware annealing strategy that gradually reduces reliance on the expert as the adversary improves. Extensive experiments demonstrate that our method achieves outperforms existing approaches in terms of collision rate, attack efficiency, and training stability, especially in cases where the expert policy is sub-optimal.
comment: 12 pages, 3 figures, 2 tables
☆ GeNeRT: A Physics-Informed Approach to Intelligent Wireless Channel Modeling via Generalizable Neural Ray Tracing
Neural ray tracing (RT) has emerged as a promising paradigm for channel modeling by combining physical propagation principles with neural networks. It enables high modeling accuracy and efficiency. However, current neural RT methods face two key limitations: constrained generalization capability due to strong spatial dependence, and weak adherence to electromagnetic laws. In this paper, we propose GeNeRT, a Generalizable Neural RT framework with enhanced generalization, accuracy and efficiency. GeNeRT supports both intra-scenario spatial transferability and inter-scenario zero-shot generalization. By incorporating Fresnel-inspired neural network design, it also achieves higher accuracy in multipath component (MPC) prediction. Furthermore, a GPU-tensorized acceleration strategy is introduced to improve runtime efficiency. Extensive experiments conducted in outdoor scenarios demonstrate that GeNeRT generalizes well across untrained regions within a scenario and entirely unseen environments, and achieves superior accuracy in MPC prediction compared to baselines. Moreover, it outperforms Wireless Insite in runtime efficiency, particularly in multi-transmitter settings. Ablation experiments validate the effectiveness of the network architecture and training strategy in capturing physical principles of ray-surface interactions.
☆ Instability in Diffusion ODEs: An Explanation for Inaccurate Image Reconstruction
Diffusion reconstruction plays a critical role in various applications such as image editing, restoration, and style transfer. In theory, the reconstruction should be simple - it just inverts and regenerates images by numerically solving the Probability Flow-Ordinary Differential Equation (PF-ODE). Yet in practice, noticeable reconstruction errors have been observed, which cannot be well explained by numerical errors. In this work, we identify a deeper intrinsic property in the PF-ODE generation process, the instability, that can further amplify the reconstruction errors. The root of this instability lies in the sparsity inherent in the generation distribution, which means that the probability is concentrated on scattered and small regions while the vast majority remains almost empty. To demonstrate the existence of instability and its amplification on reconstruction error, we conduct experiments on both toy numerical examples and popular open-sourced diffusion models. Furthermore, based on the characteristics of image data, we theoretically prove that the instability's probability converges to one as the data dimensionality increases. Our findings highlight the inherent challenges in diffusion-based reconstruction and can offer insights for future improvements.
☆ Learning High-Quality Latent Representations for Anomaly Detection and Signal Integrity Enhancement in High-Speed Signals
This paper addresses the dual challenge of improving anomaly detection and signal integrity in high-speed dynamic random access memory signals. To achieve this, we propose a joint training framework that integrates an autoencoder with a classifier to learn more distinctive latent representations by focusing on valid data features. Our approach is evaluated across three anomaly detection algorithms and consistently outperforms two baseline methods. Detailed ablation studies further support these findings. Furthermore, we introduce a signal integrity enhancement algorithm that improves signal integrity by an average of 11.3%. The source code and data used in this study are available at https://github.com/Usama1002/learning-latent-representations.
☆ Learning Causal Graphs at Scale: A Foundation Model Approach
Due to its human-interpretability and invariance properties, Directed Acyclic Graph (DAG) has been a foundational tool across various areas of AI research, leading to significant advancements. However, DAG learning remains highly challenging, due to its super-exponential growth in computational cost and identifiability issues, particularly in small-sample regimes. To address these two challenges, in this work we leverage the recent success of linear transformers and develop a foundation model approach for discovering multiple order-consistent DAGs across tasks. In particular, we propose Attention-DAG (ADAG), a novel attention-mechanism-based architecture for learning multiple linear Structural Equation Models (SEMs). ADAG learns the mapping from observed data to both graph structure and parameters via a nonlinear attention-based kernel, enabling efficient multi-task estimation of the underlying linear SEMs. By formulating the learning process across multiple tasks as a continuous optimization problem, the pre-trained ADAG model captures the common structural properties as a shared low-dimensional prior, thereby reducing the ill-posedness of downstream DAG learning tasks in small-sample regimes. We evaluate our proposed approach on benchmark synthetic datasets and find that ADAG achieves substantial improvements in both DAG learning accuracy and zero-shot inference efficiency. To the best of our knowledge, this is the first practical approach for pre-training a foundation model specifically designed for DAG learning, representing a step toward more efficient and generalizable down-stream applications in causal discovery.
☆ Quantifying Uncertainty in the Presence of Distribution Shifts
Neural networks make accurate predictions but often fail to provide reliable uncertainty estimates, especially under covariate distribution shifts between training and testing. To address this problem, we propose a Bayesian framework for uncertainty estimation that explicitly accounts for covariate shifts. While conventional approaches rely on fixed priors, the key idea of our method is an adaptive prior, conditioned on both training and new covariates. This prior naturally increases uncertainty for inputs that lie far from the training distribution in regions where predictive performance is likely to degrade. To efficiently approximate the resulting posterior predictive distribution, we employ amortized variational inference. Finally, we construct synthetic environments by drawing small bootstrap samples from the training data, simulating a range of plausible covariate shift using only the original dataset. We evaluate our method on both synthetic and real-world data. It yields substantially improved uncertainty estimates under distribution shifts.
☆ Phase retrieval with rank $d$ measurements -- \emph{descending} algorithms phase transitions
Companion paper [118] developed a powerful \emph{Random duality theory} (RDT) based analytical program to statistically characterize performance of \emph{descending} phase retrieval algorithms (dPR) (these include all variants of gradient descents and among them widely popular Wirtinger flows). We here generalize the program and show how it can be utilized to handle rank $d$ positive definite phase retrieval (PR) measurements (with special cases $d=1$ and $d=2$ serving as emulations of the real and complex phase retrievals, respectively). In particular, we observe that the minimal sample complexity ratio (number of measurements scaled by the dimension of the unknown signal) which ensures dPR's success exhibits a phase transition (PT) phenomenon. For both plain and lifted RDT we determine phase transitions locations. To complement theoretical results we implement a log barrier gradient descent variant and observe that, even in small dimensional scenarios (with problem sizes on the order of 100), the simulated phase transitions are in an excellent agreement with the theoretical predictions.
☆ Optimal spectral initializers impact on phase retrieval phase transitions -- an RDT view
We analyze the relation between spectral initializers and theoretical limits of \emph{descending} phase retrieval algorithms (dPR). In companion paper [104], for any sample complexity ratio, $\alpha$, \emph{parametric manifold}, ${\mathcal {PM}}(\alpha)$, is recognized as a critically important structure that generically determines dPRs abilities to solve phase retrieval (PR). Moreover, overlap between the algorithmic solution and the true signal is positioned as a key ${\mathcal {PM}}$'s component. We here consider the so-called \emph{overlap optimal} spectral initializers (OptSpins) as dPR's starting points and develop a generic \emph{Random duality theory} (RDT) based program to statistically characterize them. In particular, we determine the functional structure of OptSpins and evaluate the starting overlaps that they provide for the dPRs. Since ${\mathcal {PM}}$'s so-called \emph{flat regions} are highly susceptible to \emph{local jitteriness} and as such are key obstacles on dPR's path towards PR's global optimum, a precise characterization of the starting overlap allows to determine if such regions can be successfully circumvented. Through the presented theoretical analysis we observe two key points in that regard: \textbf{\emph{(i)}} dPR's theoretical phase transition (critical $\alpha$ above which they solve PR) might be difficult to practically achieve as the ${\mathcal {PM}}$'s flat regions are large causing the associated OptSpins to fall exactly within them; and \textbf{\emph{(ii)}} Opting for so-called ``\emph{safer compression}'' and slightly increasing $\alpha$ (by say $15\%$) shrinks flat regions and allows OptSpins to fall outside them and dPRs to ultimately solve PR. Numerical simulations are conducted as well and shown to be in an excellent agreement with theoretical predictions.
☆ Phase transition of \emph{descending} phase retrieval algorithms
We study theoretical limits of \emph{descending} phase retrieval algorithms. Utilizing \emph{Random duality theory} (RDT) we develop a generic program that allows statistical characterization of various algorithmic performance metrics. Through these we identify the concepts of \emph{parametric manifold} and its \emph{funneling points} as key mathematical objects that govern the underlying algorithms' behavior. An isomorphism between single funneling point manifolds and global convergence of descending algorithms is established. The structure and shape of the parametric manifold as well as its dependence on the sample complexity are studied through both plain and lifted RDT. Emergence of a phase transition is observed. Namely, as sample complexity increases, parametric manifold transitions from a multi to a single funneling point structure. This in return corresponds to a transition from the scenarios where descending algorithms generically fail to the scenarios where they succeed in solving phase retrieval. We also develop and implement a practical algorithmic variant that in a hybrid alternating fashion combines a barrier and a plain gradient descent. Even though the theoretical results are obtained for infinite dimensional scenarios (and consequently non-jittery parametric manifolds), we observe a strong agrement between theoretical and simulated phase transitions predictions for fairly small dimensions on the order of a few hundreds.
☆ Leveraging Large Language Models for Information Verification -- an Engineering Approach
For the ACMMM25 challenge, we present a practical engineering approach to multimedia news source verification, utilizing Large Language Models (LLMs) like GPT-4o as the backbone of our pipeline. Our method processes images and videos through a streamlined sequence of steps: First, we generate metadata using general-purpose queries via Google tools, capturing relevant content and links. Multimedia data is then segmented, cleaned, and converted into frames, from which we select the top-K most informative frames. These frames are cross-referenced with metadata to identify consensus or discrepancies. Additionally, audio transcripts are extracted for further verification. Noticeably, the entire pipeline is automated using GPT-4o through prompt engineering, with human intervention limited to final validation.
☆ Memory-Augmented Architecture for Long-Term Context Handling in Large Language Models
Large Language Models face significant challenges in maintaining coherent interactions over extended dialogues due to their limited contextual memory. This limitation often leads to fragmented exchanges and reduced relevance in responses, diminishing user experience. To address these issues, we propose a memory-augmented architecture that dynamically retrieves, updates, and prunes relevant information from past interactions, ensuring effective long-term context handling. Experimental results demonstrate that our solution significantly improves contextual coherence, reduces memory overhead, and enhances response quality, showcasing its potential for real-time applications in interactive systems.
☆ ARD-LoRA: Dynamic Rank Allocation for Parameter-Efficient Fine-Tuning of Foundation Models with Heterogeneous Adaptation Needs
Conventional Low-Rank Adaptation (LoRA) methods employ a fixed rank, imposing uniform adaptation across transformer layers and attention heads despite their heterogeneous learning dynamics. This paper introduces Adaptive Rank Dynamic LoRA (ARD-LoRA), a novel framework that automates rank allocation through learnable scaling factors. These factors are optimized via a meta-objective balancing task performance and parameter efficiency, incorporating $\ell_1$ sparsity for minimal rank and Total Variation regularization for stable rank transitions. ARD-LoRA enables continuous, differentiable, per-head rank adaptation. Experiments on LLAMA-3.1-70B and PaliGemma-2 demonstrate ARD-LoRA's efficacy, achieving up to 99.3% of full fine-tuning performance with only 0.32% trainable parameters, outperforming strong baselines like DoRA and AdaLoRA. Furthermore, it reduces multimodal adaptation memory by 41%. These results establish dynamic, fine-grained rank allocation as a critical paradigm for efficient foundation model adaptation.
☆ Ground tracking for improved landmine detection in a GPR system
Ground penetrating radar (GPR) provides a promising technology for accurate subsurface object detection. In particular, it has shown promise for detecting landmines with low metal content. However, the ground bounce (GB) that is present in GPR data, which is caused by the dielectric discontinuity between soil and air, is a major source of interference and degrades landmine detection performance. To mitigate this interference, GB tracking algorithms formulated using both a Kalman filter (KF) and a particle filter (PF) framework are proposed. In particular, the location of the GB in the radar signal is modeled as the hidden state in a stochastic system for the PF approach. The observations are the 2D radar images, which arrive scan by scan along the down-track direction. An initial training stage sets parameters automatically to accommodate different ground and weather conditions. The features associated with the GB description are updated adaptively with the arrival of new data. The prior distribution for a given location is predicted by propagating information from two adjacent channels/scans, which ensures that the overall GB surface remains smooth. The proposed algorithms are verified in experiments utilizing real data, and their performances are compared with other GB tracking approaches. We demonstrate that improved GB tracking contributes to improved performance for the landmine detection problem.
☆ RLPR: Extrapolating RLVR to General Domains without Verifiers
Reinforcement Learning with Verifiable Rewards (RLVR) demonstrates promising potential in advancing the reasoning capabilities of LLMs. However, its success remains largely confined to mathematical and code domains. This primary limitation stems from the heavy reliance on domain-specific verifiers, which results in prohibitive complexity and limited scalability. To address the challenge, our key observation is that LLM's intrinsic probability of generating a correct free-form answer directly indicates its own evaluation of the reasoning reward (i.e., how well the reasoning process leads to the correct answer). Building on this insight, we propose RLPR, a simple verifier-free framework that extrapolates RLVR to broader general domains. RLPR uses the LLM's own token probability scores for reference answers as the reward signal and maximizes the expected reward during training. We find that addressing the high variance of this noisy probability reward is crucial to make it work, and propose prob-to-reward and stabilizing methods to ensure a precise and stable reward from LLM intrinsic probabilities. Comprehensive experiments in four general-domain benchmarks and three mathematical benchmarks show that RLPR consistently improves reasoning capabilities in both areas for Gemma, Llama, and Qwen based models. Notably, RLPR outperforms concurrent VeriFree by 7.6 points on TheoremQA and 7.5 points on Minerva, and even surpasses strong verifier-model-dependent approaches General-Reasoner by 1.6 average points across seven benchmarks.
comment: Project Website: https://github.com/openbmb/RLPR
☆ Exploring Efficient Quantification of Modeling Uncertainties with Differentiable Physics-Informed Machine Learning Architectures
Quantifying and propagating modeling uncertainties is crucial for reliability analysis, robust optimization, and other model-based algorithmic processes in engineering design and control. Now, physics-informed machine learning (PIML) methods have emerged in recent years as a new alternative to traditional computational modeling and surrogate modeling methods, offering a balance between computing efficiency, modeling accuracy, and interpretability. However, their ability to predict and propagate modeling uncertainties remains mostly unexplored. In this paper, a promising class of auto-differentiable hybrid PIML architectures that combine partial physics and neural networks or ANNs (for input transformation or adaptive parameter estimation) is integrated with Bayesian Neural networks (replacing the ANNs); this is done with the goal to explore whether BNNs can successfully provision uncertainty propagation capabilities in the PIML architectures as well, further supported by the auto-differentiability of these architectures. A two-stage training process is used to alleviate the challenges traditionally encountered in training probabilistic ML models. The resulting BNN-integrated PIML architecture is evaluated on an analytical benchmark problem and flight experiments data for a fixed-wing RC aircraft, with prediction performance observed to be slightly worse or at par with purely data-driven ML and original PIML models. Moreover, Monte Carlo sampling of probabilistic BNN weights was found to be most effective in propagating uncertainty in the BNN-integrated PIML architectures.
comment: IDETC 2025
☆ Dual-Forward Path Teacher Knowledge Distillation: Bridging the Capacity Gap Between Teacher and Student
Knowledge distillation (KD) provides an effective way to improve the performance of a student network under the guidance of pre-trained teachers. However, this approach usually brings in a large capacity gap between teacher and student networks, limiting the distillation gains. Previous methods addressing this problem either discard accurate knowledge representation or fail to dynamically adjust the transferred knowledge, which is less effective in addressing the capacity gap problem and hinders students from achieving comparable performance with the pre-trained teacher. In this work, we extend the ideology of prompt-based learning to address the capacity gap problem, and propose Dual-Forward Path Teacher Knowledge Distillation (DFPT-KD), which replaces the pre-trained teacher with a novel dual-forward path teacher to supervise the learning of student. The key to DFPT-KD is prompt-based tuning, i.e., establishing an additional prompt-based forward path within the pre-trained teacher and optimizing it with the pre-trained teacher frozen to make the transferred knowledge compatible with the representation ability of the student. Extensive experiments demonstrate that DFPT-KD leads to trained students performing better than the vanilla KD. To make the transferred knowledge better compatible with the representation abilities of the student, we further fine-tune the whole prompt-based forward path, yielding a novel distillation approach dubbed DFPT-KD+. By extensive experiments, it is shown that DFPT-KD+ improves upon DFPT-KD and achieves state-of-the-art accuracy performance.
comment: 15pages
☆ Quantum-Classical Hybrid Quantized Neural Network
Here in this work, we present a novel Quadratic Binary Optimization (QBO) model for quantized neural network training, enabling the use of arbitrary activation and loss functions through spline interpolation. We introduce Forward Interval Propagation (FIP), a method designed to tackle the challenges of non-linearity and the multi-layer composite structure in neural networks by discretizing activation functions into linear subintervals. This approach preserves the universal approximation properties of neural networks while allowing complex nonlinear functions to be optimized using quantum computers, thus broadening their applicability in artificial intelligence. We provide theoretical upper bounds on the approximation error and the number of Ising spins required, by deriving the sample complexity of the empirical risk minimization problem, from an optimization perspective. A significant challenge in solving the associated Quadratic Constrained Binary Optimization (QCBO) model on a large scale is the presence of numerous constraints. When employing the penalty method to handle these constraints, tuning a large number of penalty coefficients becomes a critical hyperparameter optimization problem, increasing computational complexity and potentially affecting solution quality. To address this, we employ the Quantum Conditional Gradient Descent (QCGD) algorithm, which leverages quantum computing to directly solve the QCBO problem. We prove the convergence of QCGD under a quantum oracle with randomness and bounded variance in objective value, as well as under limited precision constraints in the coefficient matrix. Additionally, we provide an upper bound on the Time-To-Solution for the QCBO solving process. Experimental results using a coherent Ising machine (CIM) demonstrate a 94.95% accuracy on the Fashion MNIST classification task, with only 1.1-bit precision.
comment: 30 pages, 5 figures, comments are welcome
☆ AdapThink: Adaptive Thinking Preferences for Reasoning Language Model
Reinforcement Learning (RL)-based post-training has significantly advanced the complex reasoning capabilities of language models, fostering sophisticated self-reflection processes. However, this ``slow thinking'' paradigm presents a critical challenge to reasoning efficiency: models may expend excessive computation on simple questions and shift reasoning prematurely for complex ones. Previous mechanisms typically rely on static length budgets or predefined rules, lacking the adaptability for varying question complexities and models' evolving capabilities. To this end, we propose AdapThink, an adaptive post-training framework designed to induce more efficient thinking while maintaining the performance of reasoning language models. Specifically, AdapThink incorporates two key mechanisms: 1) A group-relative reward function that leverages model confidence and response's characteristic to dynamically adjust the preference of reflection-related transition words without resorting to a fixed length preference. 2) A diversity-aware sampling mechanism that balances the training group's solution accuracy with reasoning diversity via an entropy-guided score. Experiments on several mathematical reasoning datasets with DeepSeek-distilled models demonstrate AdapThink's advantages in enabling adaptive reasoning patterns and mitigating the inefficiencies.
☆ These are Not All the Features You are Looking For: A Fundamental Bottleneck In Supervised Pretraining
Transfer learning is a cornerstone of modern machine learning, promising a way to adapt models pretrained on a broad mix of data to new tasks with minimal new data. However, a significant challenge remains in ensuring that transferred features are sufficient to handle unseen datasets, amplified by the difficulty of quantifying whether two tasks are "related". To address these challenges, we evaluate model transfer from a pretraining mixture to each of its component tasks, assessing whether pretrained features can match the performance of task-specific direct training. We identify a fundamental limitation in deep learning models -- an "information saturation bottleneck" -- where networks fail to learn new features once they encode similar competing features during training. When restricted to learning only a subset of key features during pretraining, models will permanently lose critical features for transfer and perform inconsistently on data distributions, even components of the training mixture. Empirical evidence from published studies suggests that this phenomenon is pervasive in deep learning architectures -- factors such as data distribution or ordering affect the features that current representation learning methods can learn over time. This study suggests that relying solely on large-scale networks may not be as effective as focusing on task-specific training, when available. We propose richer feature representations as a potential solution to better generalize across new datasets and, specifically, present existing methods alongside a novel approach, the initial steps towards addressing this challenge.
comment: 10 pages, 7 figures, Preprint. Under review
☆ Cross-Architecture Knowledge Distillation (KD) for Retinal Fundus Image Anomaly Detection on NVIDIA Jetson Nano
Early and accurate identification of retinal ailments is crucial for averting ocular decline; however, access to dependable diagnostic devices is not often available in low-resourced settings. This project proposes to solve that by developing a lightweight, edge-device deployable disease classifier using cross-architecture knowledge distilling. We first train a high-capacity vision transformer (ViT) teacher model, pre-trained using I-JEPA self-supervised learning, to classify fundus images into four classes: Normal, Diabetic Retinopathy, Glaucoma, and Cataract. We kept an Internet of Things (IoT) focus when compressing to a CNN-based student model for deployment in resource-limited conditions, such as the NVIDIA Jetson Nano. This was accomplished using a novel framework which included a Partitioned Cross-Attention (PCA) projector, a Group-Wise Linear (GL) projector, and a multi-view robust training method. The teacher model has 97.4 percent more parameters than the student model, with it achieving 89 percent classification with a roughly 93 percent retention of the teacher model's diagnostic performance. The retention of clinical classification behavior supports our method's initial aim: compression of the ViT while retaining accuracy. Our work serves as an example of a scalable, AI-driven triage solution for retinal disorders in under-resourced areas.
comment: 15 pages, 10 figures. Berk Yilmaz and Aniruddh Aiyengar contributed equally to this work
☆ Simulation of a closed-loop dc-dc converter using a physics-informed neural network-based model
The growing reliance on power electronics introduces new challenges requiring detailed time-domain analyses with fast and accurate circuit simulation tools. Currently, commercial time-domain simulation software are mainly relying on physics-based methods to simulate power electronics. Recent work showed that data-driven and physics-informed learning methods can increase simulation speed with limited compromise on accuracy, but many challenges remain before deployment in commercial tools can be possible. In this paper, we propose a physics-informed bidirectional long-short term memory neural network (BiLSTM-PINN) model to simulate the time-domain response of a closed-loop dc-dc boost converter for various operating points, parameters, and perturbations. A physics-informed fully-connected neural network (FCNN) and a BiLSTM are also trained to establish a comparison. The three methods are then compared using step-response tests to assess their performance and limitations in terms of accuracy. The results show that the BiLSTM-PINN and BiLSTM models outperform the FCNN model by more than 9 and 4.5 times, respectively, in terms of median RMSE. Their standard deviation values are more than 2.6 and 1.7 smaller than the FCNN's, making them also more consistent. Those results illustrate that the proposed BiLSTM-PINN is a potential alternative to other physics-based or data-driven methods for power electronics simulations.
comment: 8 pages, 6 figures, Paper submitted to the International Conference on Power Systems Transients (IPST2025) in Guadalajara, Mexico, June 8-12, 2025
☆ Distilling Tool Knowledge into Language Models via Back-Translated Traces ICML 2025
Large language models (LLMs) often struggle with mathematical problems that require exact computation or multi-step algebraic reasoning. Tool-integrated reasoning (TIR) offers a promising solution by leveraging external tools such as code interpreters to ensure correctness, but it introduces inference-time dependencies that hinder scalability and deployment. In this work, we propose a new paradigm for distilling tool knowledge into LLMs purely through natural language. We first construct a Solver Agent that solves math problems by interleaving planning, symbolic tool calls, and reflective reasoning. Then, using a back-translation pipeline powered by multiple LLM-based agents, we convert interleaved TIR traces into natural language reasoning traces. A Translator Agent generates explanations for individual tool calls, while a Rephrase Agent merges them into a fluent and globally coherent narrative. Empirically, we show that fine-tuning a small open-source model on these synthesized traces enables it to internalize both tool knowledge and structured reasoning patterns, yielding gains on competition-level math benchmarks without requiring tool access at inference.
comment: Accepted in Workshop in Multi-Agent Systems in the Era of Foundation Models: Opportunities, Challenges and Futures, ICML 2025
☆ A Deep Learning Based Method for Fast Registration of Cardiac Magnetic Resonance Images
Image registration is used in many medical image analysis applications, such as tracking the motion of tissue in cardiac images, where cardiac kinematics can be an indicator of tissue health. Registration is a challenging problem for deep learning algorithms because ground truth transformations are not feasible to create, and because there are potentially multiple transformations that can produce images that appear correlated with the goal. Unsupervised methods have been proposed to learn to predict effective transformations, but these methods take significantly longer to predict than established baseline methods. For a deep learning method to see adoption in wider research and clinical settings, it should be designed to run in a reasonable time on common, mid-level hardware. Fast methods have been proposed for the task of image registration but often use patch-based methods which can affect registration accuracy for a highly dynamic organ such as the heart. In this thesis, a fast, volumetric registration model is proposed for the use of quantifying cardiac strain. The proposed Deep Learning Neural Network (DLNN) is designed to utilize an architecture that can compute convolutions incredibly efficiently, allowing the model to achieve registration fidelity similar to other state-of-the-art models while taking a fraction of the time to perform inference. The proposed fast and lightweight registration (FLIR) model is used to predict tissue motion which is then used to quantify the non-uniform strain experienced by the tissue. For acquisitions taken from the same patient at approximately the same time, it would be expected that strain values measured between the acquisitions would have very small differences. Using this metric, strain values computed using the FLIR method are shown to be very consistent.
☆ GradualDiff-Fed: A Federated Learning Specialized Framework for Large Language Model
The rapid proliferation of large language models (LLMs) has created an unprecedented demand for fine-tuning models for specialized domains, such as medical science. While federated learning (FL) offers a decentralized and privacy-preserving approach to collaboratively fine-tune LLMs without sharing raw data, it presents significant challenges, particularly in performance and managing large model sizes efficiently. In this paper, we introduce GradualDiff-Fed, an FL framework designed explicitly for LLMs, and their challenge of handling the high parameter size. GradualDiff-Fed reduces communication costs by transmitting only the difference of model weights rather than the entire model during training rounds. Such an approach significantly improves scalability and communication efficiency, making it more feasible to fine-tune LLMs across distributed clients without compromising performance. Our evaluation demonstrates that GradualDiff-Fed achieves performance on par with centralized training while drastically reducing communication overhead. These results highlight the potential of GradualDiff-Fed as an efficient solution for fine-tuning large models from distributed data in privacy-preserving settings without comprising performance.
☆ Posterior Contraction for Sparse Neural Networks in Besov Spaces with Intrinsic Dimensionality
This work establishes that sparse Bayesian neural networks achieve optimal posterior contraction rates over anisotropic Besov spaces and their hierarchical compositions. These structures reflect the intrinsic dimensionality of the underlying function, thereby mitigating the curse of dimensionality. Our analysis shows that Bayesian neural networks equipped with either sparse or continuous shrinkage priors attain the optimal rates which are dependent on the intrinsic dimension of the true structures. Moreover, we show that these priors enable rate adaptation, allowing the posterior to contract at the optimal rate even when the smoothness level of the true function is unknown. The proposed framework accommodates a broad class of functions, including additive and multiplicative Besov functions as special cases. These results advance the theoretical foundations of Bayesian neural networks and provide rigorous justification for their practical effectiveness in high-dimensional, structured estimation problems.
☆ Thought Anchors: Which LLM Reasoning Steps Matter?
Reasoning large language models have recently achieved state-of-the-art performance in many fields. However, their long-form chain-of-thought reasoning creates interpretability challenges as each generated token depends on all previous ones, making the computation harder to decompose. We argue that analyzing reasoning traces at the sentence level is a promising approach to understanding reasoning processes. We present three complementary attribution methods: (1) a black-box method measuring each sentence's counterfactual importance by comparing final answers across 100 rollouts conditioned on the model generating that sentence or one with a different meaning; (2) a white-box method of aggregating attention patterns between pairs of sentences, which identified ``broadcasting'' sentences that receive disproportionate attention from all future sentences via ``receiver'' attention heads; (3) a causal attribution method measuring logical connections between sentences by suppressing attention toward one sentence and measuring the effect on each future sentence's tokens. Each method provides evidence for the existence of thought anchors, reasoning steps that have outsized importance and that disproportionately influence the subsequent reasoning process. These thought anchors are typically planning or backtracking sentences. We provide an open-source tool (www.thought-anchors.com) for visualizing the outputs of our methods, and present a case study showing converging patterns across methods that map how a model performs multi-step reasoning. The consistency across methods demonstrates the potential of sentence-level analysis for a deeper understanding of reasoning models.
comment: Paul C. Bogdan and Uzay Macar contributed equally to this work, and their listed order was determined by coinflip. Neel Nanda and Arthur Conmy contributed equally to this work as senior authors, and their listed order was determined by coinflip
☆ EEG Foundation Challenge: From Cross-Task to Cross-Subject EEG Decoding
Current electroencephalogram (EEG) decoding models are typically trained on small numbers of subjects performing a single task. Here, we introduce a large-scale, code-submission-based competition comprising two challenges. First, the Transfer Challenge asks participants to build and test a model that can zero-shot decode new tasks and new subjects from their EEG data. Second, the Psychopathology factor prediction Challenge asks participants to infer subject measures of mental health from EEG data. For this, we use an unprecedented, multi-terabyte dataset of high-density EEG signals (128 channels) recorded from over 3,000 child to young adult subjects engaged in multiple active and passive tasks. We provide several tunable neural network baselines for each of these two challenges, including a simple network and demographic-based regression models. Developing models that generalise across tasks and individuals will pave the way for ML network architectures capable of adapting to EEG data collected from diverse tasks and individuals. Similarly, predicting mental health-relevant personality trait values from EEG might identify objective biomarkers useful for clinical diagnosis and design of personalised treatment for psychological conditions. Ultimately, the advances spurred by this challenge could contribute to the development of computational psychiatry and useful neurotechnology, and contribute to breakthroughs in both fundamental neuroscience and applied clinical research.
comment: Approved at Neurips Competition track. webpage: https://eeg2025.github.io/
☆ Command-V: Pasting LLM Behaviors via Activation Profiles
Retrofitting large language models (LLMs) with new behaviors typically requires full finetuning or distillation-costly steps that must be repeated for every architecture. In this work, we introduce Command-V, a backpropagation-free behavior transfer method that copies an existing residual activation adapter from a donor model and pastes its effect into a recipient model. Command-V profiles layer activations on a small prompt set, derives linear converters between corresponding layers, and applies the donor intervention in the recipient's activation space. This process does not require access to the original training data and needs minimal compute. In three case studies-safety-refusal enhancement, jailbreak facilitation, and automatic chain-of-thought reasoning--Command-V matches or exceeds the performance of direct finetuning while using orders of magnitude less compute. Our code and data are accessible at https://github.com/GithuBarry/Command-V/.
☆ Local Learning Rules for Out-of-Equilibrium Physical Generative Models
We show that the out-of-equilibrium driving protocol of score-based generative models (SGMs) can be learned via a local learning rule. The gradient with respect to the parameters of the driving protocol are computed directly from force measurements or from observed system dynamics. As a demonstration, we implement an SGM in a network of driven, nonlinear, overdamped oscillators coupled to a thermal bath. We first apply it to the problem of sampling from a mixture of two Gaussians in 2D. Finally, we train a network of 10x10 oscillators to sample images of 0s and 1s from the MNIST dataset.
comment: 6 pages, 2 figures
☆ Riemannian generative decoder ICML 2025
Riemannian representation learning typically relies on approximating densities on chosen manifolds. This involves optimizing difficult objectives, potentially harming models. To completely circumvent this issue, we introduce the Riemannian generative decoder which finds manifold-valued maximum likelihood latents with a Riemannian optimizer while training a decoder network. By discarding the encoder, we vastly simplify the manifold constraint compared to current approaches which often only handle few specific manifolds. We validate our approach on three case studies -- a synthetic branching diffusion process, human migrations inferred from mitochondrial DNA, and cells undergoing a cell division cycle -- each showing that learned representations respect the prescribed geometry and capture intrinsic non-Euclidean structure. Our method requires only a decoder, is compatible with existing architectures, and yields interpretable latent spaces aligned with data geometry.
comment: GenBio ICML 2025 (Proceedings of the Workshop on Generative AI for Biology at the 42nd International Conference on Machine Learning, Vancouver, Canada. PMLR 267, 2025)
☆ Finding Clustering Algorithms in the Transformer Architecture
The invention of the transformer architecture has revolutionized Artificial Intelligence (AI), yielding unprecedented success in areas such as natural language processing, computer vision, and multimodal reasoning. Despite these advances, it is unclear whether transformers are able to learn and implement precise algorithms. Here, we demonstrate that transformers can exactly implement a fundamental and widely used algorithm for $k$-means clustering: Lloyd's algorithm. First, we theoretically prove the existence of such a transformer architecture, which we term the $k$-means transformer, that exactly implements Lloyd's algorithm for $k$-means clustering using the standard ingredients of modern transformers: attention and residual connections. Next, we numerically implement this transformer and demonstrate in experiments the exact correspondence between our architecture and Lloyd's algorithm, providing a fully neural implementation of $k$-means clustering. Finally, we demonstrate that interpretable alterations (e.g., incorporating layer normalizations or multilayer perceptrons) to this architecture yields diverse and novel variants of clustering algorithms, such as soft $k$-means, spherical $k$-means, trimmed $k$-means, and more. Collectively, our findings demonstrate how transformer mechanisms can precisely map onto algorithmic procedures, offering a clear and interpretable perspective on implementing precise algorithms in transformers.
☆ CUPID: Curating Data your Robot Loves with Influence Functions
In robot imitation learning, policy performance is tightly coupled with the quality and composition of the demonstration data. Yet, developing a precise understanding of how individual demonstrations contribute to downstream outcomes - such as closed-loop task success or failure - remains a persistent challenge. We propose CUPID, a robot data curation method based on a novel influence function-theoretic formulation for imitation learning policies. Given a set of evaluation rollouts, CUPID estimates the influence of each training demonstration on the policy's expected return. This enables ranking and selection of demonstrations according to their impact on the policy's closed-loop performance. We use CUPID to curate data by 1) filtering out training demonstrations that harm policy performance and 2) subselecting newly collected trajectories that will most improve the policy. Extensive simulated and hardware experiments show that our approach consistently identifies which data drives test-time performance. For example, training with less than 33% of curated data can yield state-of-the-art diffusion policies on the simulated RoboMimic benchmark, with similar gains observed in hardware. Furthermore, hardware experiments show that our method can identify robust strategies under distribution shift, isolate spurious correlations, and even enhance the post-training of generalist robot policies. Additional materials are made available at: https://cupid-curation.github.io.
comment: Project page: https://cupid-curation.github.io. 28 pages, 15 figures
☆ On the algorithmic construction of deep ReLU networks
It is difficult to describe in mathematical terms what a neural network trained on data represents. On the other hand, there is a growing mathematical understanding of what neural networks are in principle capable of representing. Feedforward neural networks using the ReLU activation function represent continuous and piecewise linear functions and can approximate many others. The study of their expressivity addresses the question: which ones? Contributing to the available answers, we take the perspective of a neural network as an algorithm. In this analogy, a neural network is programmed constructively, rather than trained from data. An interesting example is a sorting algorithm: we explicitly construct a neural network that sorts its inputs exactly, not approximately, and that, in a sense, has optimal computational complexity if the input dimension is large. Such constructed networks may have several billion parameters. We construct and analyze several other examples, both existing and new. We find that, in these examples, neural networks as algorithms are typically recursive and parallel. Compared to conventional algorithms, ReLU networks are restricted by having to be continuous. Moreover, the depth of recursion is limited by the depth of the network, with deep networks having superior properties over shallow ones.
☆ Finetuning a Weather Foundation Model with Lightweight Decoders for Unseen Physical Processes
Recent advances in AI weather forecasting have led to the emergence of so-called "foundation models", typically defined by expensive pretraining and minimal fine-tuning for downstream tasks. However, in the natural sciences, a desirable foundation model should also encode meaningful statistical relationships between the underlying physical variables. This study evaluates the performance of the state-of-the-art Aurora foundation model in predicting hydrological variables, which were not considered during pretraining. We introduce a lightweight approach using shallow decoders trained on the latent representations of the pretrained model to predict these new variables. As a baseline, we compare this to fine-tuning the full model, which allows further optimization of the latent space while incorporating new variables into both inputs and outputs. The decoder-based approach requires 50% less training time and 35% less memory, while achieving strong accuracy across various hydrological variables and preserving desirable properties of the foundation model, such as autoregressive stability. Notably, decoder accuracy depends on the physical correlation between the new variables and those used during pretraining, indicating that Aurora's latent space captures meaningful physical relationships. In this sense, we argue that an important quality metric for foundation models in Earth sciences is their ability to be extended to new variables without a full fine-tuning. This provides a new perspective for making foundation models more accessible to communities with limited computational resources, while supporting broader adoption in Earth sciences.
☆ Benchmarking Music Generation Models and Metrics via Human Preference Studies
Recent advancements have brought generated music closer to human-created compositions, yet evaluating these models remains challenging. While human preference is the gold standard for assessing quality, translating these subjective judgments into objective metrics, particularly for text-audio alignment and music quality, has proven difficult. In this work, we generate 6k songs using 12 state-of-the-art models and conduct a survey of 15k pairwise audio comparisons with 2.5k human participants to evaluate the correlation between human preferences and widely used metrics. To the best of our knowledge, this work is the first to rank current state-of-the-art music generation models and metrics based on human preference. To further the field of subjective metric evaluation, we provide open access to our dataset of generated music and human evaluations.
comment: Accepted at ICASSP 2025
☆ FairCauseSyn: Towards Causally Fair LLM-Augmented Synthetic Data Generation
Synthetic data generation creates data based on real-world data using generative models. In health applications, generating high-quality data while maintaining fairness for sensitive attributes is essential for equitable outcomes. Existing GAN-based and LLM-based methods focus on counterfactual fairness and are primarily applied in finance and legal domains. Causal fairness provides a more comprehensive evaluation framework by preserving causal structure, but current synthetic data generation methods do not address it in health settings. To fill this gap, we develop the first LLM-augmented synthetic data generation method to enhance causal fairness using real-world tabular health data. Our generated data deviates by less than 10% from real data on causal fairness metrics. When trained on causally fair predictors, synthetic data reduces bias on the sensitive attribute by 70% compared to real data. This work improves access to fair synthetic data, supporting equitable health research and healthcare delivery.
comment: Accepted to IEEE EMBC 2025
☆ First-Order Sparse Convex Optimization: Better Rates with Sparse Updates
In was recently established that for convex optimization problems with a sparse optimal solution (may it be entry-wise sparsity or matrix rank-wise sparsity) it is possible to have linear convergence rates which depend on an improved mixed-norm condition number of the form $\frac{\beta_1{}s}{\alpha_2}$, where $\beta_1$ is the $\ell_1$-Lipchitz continuity constant of the gradient, $\alpha_2$ is the $\ell_2$-quadratic growth constant, and $s$ is the sparsity of the optimal solution. However, beyond the improved convergence rate, these methods are unable to leverage the sparsity of optimal solutions towards improving also the runtime of each iteration, which may still be prohibitively high for high-dimensional problems. In this work, we establish that linear convergence rates which depend on this improved condition number can be obtained using only sparse updates, which may result in overall significantly improved running times. Moreover, our methods are considerably easier to implement.
☆ Which Company Adjustment Matter? Insights from Uplift Modeling on Financial Health
Uplift modeling has achieved significant success in various fields, particularly in online marketing. It is a method that primarily utilizes machine learning and deep learning to estimate individual treatment effects. This paper we apply uplift modeling to analyze the effect of company adjustment on their financial status, and we treat these adjustment as treatments or interventions in this study. Although there have been extensive studies and application regarding binary treatments, multiple treatments, and continuous treatments, company adjustment are often more complex than these scenarios, as they constitute a series of multiple time-dependent actions. The effect estimation of company adjustment needs to take into account not only individual treatment traits but also the temporal order of this series of treatments. This study collects a real-world data set about company financial statements and reported behavior in Luxembourg for the experiments. First, we use two meta-learners and three other well-known uplift models to analyze different company adjustment by simplifying the adjustment as binary treatments. Furthermore, we propose a new uplift modeling framework (MTDnet) to address the time-dependent nature of these adjustment, and the experimental result shows the necessity of considering the timing of these adjustment.
☆ Online Learning for Dynamic Vickrey-Clarke-Groves Mechanism in Sequential Auctions under Unknown Environments
We consider the problem of online dynamic mechanism design for sequential auctions in unknown environments, where the underlying market and, thus, the bidders' values vary over time as interactions between the seller and the bidders progress. We model the sequential auctions as an infinite-horizon average-reward Markov decision process (MDP), where the transition kernel and reward functions are unknown to the seller. In each round, the seller determines an allocation and a payment for each bidder. Each bidder receives a private reward and submits a sealed bid to the seller. The state, which represents the underlying market, evolves according to an unknown transition kernel and the seller's allocation policy. Unlike existing works that formulate the problem as a multi-armed bandit model or as an episodic MDP, where the environment resets to an initial state after each round or episode, our paper considers a more realistic and sophisticated setting in which the market continues to evolve without restarting. We first extend the Vickrey-Clarke-Groves (VCG) mechanism, which is known to be efficient, truthful, and individually rational for one-shot static auctions, to sequential auctions, thereby obtaining a dynamic VCG mechanism counterpart that preserves these desired properties. We then focus on the online setting and develop an online reinforcement learning algorithm for the seller to learn the underlying MDP model and implement a mechanism that closely resembles the dynamic VCG mechanism. We show that the learned online mechanism asymptotically converges to a dynamic mechanism that approximately satisfies efficiency, truthfulness, and individual rationality with arbitrarily high probability and achieves guaranteed performance in terms of various notions of regret.
comment: 16 pages
☆ Plan for Speed -- Dilated Scheduling for Masked Diffusion Language Models
Masked diffusion language models (MDLM) have shown strong promise for non-autoregressive text generation, yet existing samplers act as implicit planners, selecting tokens to unmask via denoiser confidence or entropy scores. Such heuristics falter under parallel unmasking - they ignore pairwise interactions between tokens and cannot account for dependencies when unmasking multiple positions at once, limiting their inference time to traditional auto-regressive (AR) models. We introduce the Dilated-scheduled Unmasking Strategy (DUS), an inference-only, planner-model-free method that requires no additional training. DUS leverages a first-order Markov assumption to partition sequence positions into dilation-based groups of non-adjacent tokens, enabling independent, parallel unmasking steps that respect local context that minimizes the joint entropy of each iteration step. Unlike semi-AR block approaches (e.g., LLADA and Dream) that still invoke the denoiser per block, DUS reduces the number of denoiser calls to O(log B) per generation block - yielding substantial speedup over the O(B) run time of state-of-the-art diffusion models, where B is the block size in the semi-AR inference process. In experiments on math (GSM8K) and code completion (Humaneval, MBPP) benchmarks - domains suited to non-ordinal generation - DUS improves scores over parallel confidence-based planner, without modifying the underlying denoiser. DUS offers a lightweight, budget-aware approach to efficient, high-quality text generation, paving the way to unlock the true capabilities of MDLMs.
☆ Failure Modes of Time Series Interpretability Algorithms for Critical Care Applications and Potential Solutions
Interpretability plays a vital role in aligning and deploying deep learning models in critical care, especially in constantly evolving conditions that influence patient survival. However, common interpretability algorithms face unique challenges when applied to dynamic prediction tasks, where patient trajectories evolve over time. Gradient, Occlusion, and Permutation-based methods often struggle with time-varying target dependency and temporal smoothness. This work systematically analyzes these failure modes and supports learnable mask-based interpretability frameworks as alternatives, which can incorporate temporal continuity and label consistency constraints to learn feature importance over time. Here, we propose that learnable mask-based approaches for dynamic timeseries prediction problems provide more reliable and consistent interpretations for applications in critical care and similar domains.
comment: 13 pages, 10 figures, Accepted at the AMIA Annual Symposium 2025. The final version will appear in the official proceedings
☆ When Diffusion Models Memorize: Inductive Biases in Probability Flow of Minimum-Norm Shallow Neural Nets ICML 2025
While diffusion models generate high-quality images via probability flow, the theoretical understanding of this process remains incomplete. A key question is when probability flow converges to training samples or more general points on the data manifold. We analyze this by studying the probability flow of shallow ReLU neural network denoisers trained with minimal $\ell^2$ norm. For intuition, we introduce a simpler score flow and show that for orthogonal datasets, both flows follow similar trajectories, converging to a training point or a sum of training points. However, early stopping by the diffusion time scheduler allows probability flow to reach more general manifold points. This reflects the tendency of diffusion models to both memorize training samples and generate novel points that combine aspects of multiple samples, motivating our study of such behavior in simplified settings. We extend these results to obtuse simplex data and, through simulations in the orthogonal case, confirm that probability flow converges to a training point, a sum of training points, or a manifold point. Moreover, memorization decreases when the number of training samples grows, as fewer samples accumulate near training points.
comment: Accepted to the Forty-second International Conference on Machine Learning (ICML 2025)
☆ Statistical Inference for Optimal Transport Maps: Recent Advances and Perspectives
In many applications of optimal transport (OT), the object of primary interest is the optimal transport map. This map rearranges mass from one probability distribution to another in the most efficient way possible by minimizing a specified cost. In this paper we review recent advances in estimating and developing limit theorems for the OT map, using samples from the underlying distributions. We also review parallel lines of work that establish similar results for special cases and variants of the basic OT setup. We conclude with a discussion of key directions for future research with the goal of providing practitioners with reliable inferential tools.
comment: 36 pages, 1 figure
☆ Automating Traffic Monitoring with SHM Sensor Networks via Vision-Supervised Deep Learning
Bridges, as critical components of civil infrastructure, are increasingly affected by deterioration, making reliable traffic monitoring essential for assessing their remaining service life. Among operational loads, traffic load plays a pivotal role, and recent advances in deep learning - particularly in computer vision (CV) - have enabled progress toward continuous, automated monitoring. However, CV-based approaches suffer from limitations, including privacy concerns and sensitivity to lighting conditions, while traditional non-vision-based methods often lack flexibility in deployment and validation. To bridge this gap, we propose a fully automated deep-learning pipeline for continuous traffic monitoring using structural health monitoring (SHM) sensor networks. Our approach integrates CV-assisted high-resolution dataset generation with supervised training and inference, leveraging graph neural networks (GNNs) to capture the spatial structure and interdependence of sensor data. By transferring knowledge from CV outputs to SHM sensors, the proposed framework enables sensor networks to achieve comparable accuracy of vision-based systems, with minimal human intervention. Applied to accelerometer and strain gauge data in a real-world case study, the model achieves state-of-the-art performance, with classification accuracies of 99% for light vehicles and 94% for heavy vehicles.
☆ Simulation-Based Sensitivity Analysis in Optimal Treatment Regimes and Causal Decomposition with Individualized Interventions
Causal decomposition analysis aims to assess the effect of modifying risk factors on reducing social disparities in outcomes. Recently, this analysis has incorporated individual characteristics when modifying risk factors by utilizing optimal treatment regimes (OTRs). Since the newly defined individualized effects rely on the no omitted confounding assumption, developing sensitivity analyses to account for potential omitted confounding is essential. Moreover, OTRs and individualized effects are primarily based on binary risk factors, and no formal approach currently exists to benchmark the strength of omitted confounding using observed covariates for binary risk factors. To address this gap, we extend a simulation-based sensitivity analysis that simulates unmeasured confounders, addressing two sources of bias emerging from deriving OTRs and estimating individualized effects. Additionally, we propose a formal bounding strategy that benchmarks the strength of omitted confounding for binary risk factors. Using the High School Longitudinal Study 2009 (HSLS:09), we demonstrate this sensitivity analysis and benchmarking method.
comment: 42 pages
☆ From Web Search towards Agentic Deep Research: Incentivizing Search with Reasoning Agents
Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex, multi-step information needs. Our position is that Large Language Models (LLMs), endowed with reasoning and agentic capabilities, are ushering in a new paradigm termed Agentic Deep Research. These systems transcend conventional information search techniques by tightly integrating autonomous reasoning, iterative retrieval, and information synthesis into a dynamic feedback loop. We trace the evolution from static web search to interactive, agent-based systems that plan, explore, and learn. We also introduce a test-time scaling law to formalize the impact of computational depth on reasoning and search. Supported by benchmark results and the rise of open-source implementations, we demonstrate that Agentic Deep Research not only significantly outperforms existing approaches, but is also poised to become the dominant paradigm for future information seeking. All the related resources, including industry products, research papers, benchmark datasets, and open-source implementations, are collected for the community in https://github.com/DavidZWZ/Awesome-Deep-Research.
☆ A Comment On "The Illusion of Thinking": Reframing the Reasoning Cliff as an Agentic Gap
The recent work by Shojaee et al. (2025), titled The Illusion of Thinking: Understanding the Strengths and Limitations of Reasoning Models via the Lens of Problem Complexity, presents a compelling empirical finding, a reasoning cliff, where the performance of Large Reasoning Models (LRMs) collapses beyond a specific complexity threshold, which the authors posit as an intrinsic scaling limitation of Chain-of-Thought (CoT) reasoning. This commentary, while acknowledging the study's methodological rigor, contends that this conclusion is confounded by experimental artifacts. We argue that the observed failure is not evidence of a fundamental cognitive boundary, but rather a predictable outcome of system-level constraints in the static, text-only evaluation paradigm, including tool use restrictions, context window recall issues, the absence of crucial cognitive baselines, inadequate statistical reporting, and output generation limits. We reframe this performance collapse through the lens of an agentic gap, asserting that the models are not failing at reasoning, but at execution within a profoundly restrictive interface. We empirically substantiate this critique by demonstrating a striking reversal. A model, initially declaring a puzzle impossible when confined to text-only generation, now employs agentic tools to not only solve it but also master variations of complexity far beyond the reasoning cliff it previously failed to surmount. Additionally, our empirical analysis of tool-enabled models like o4-mini and GPT-4o reveals a hierarchy of agentic reasoning, from simple procedural execution to complex meta-cognitive self-correction, which has significant implications for how we define and measure machine intelligence. The illusion of thinking attributed to LRMs is less a reasoning deficit and more a consequence of an otherwise capable mind lacking the tools for action.
comment: 10 pages, 2 figures, Comment on "The Illusion of Thinking: Understanding the Strengths and Limitations of Reasoning Models via the Lens of Problem Complexity" (arXiv:2506.06941v1)
☆ SHAMaNS: Sound Localization with Hybrid Alpha-Stable Spatial Measure and Neural Steerer
This paper describes a sound source localization (SSL) technique that combines an $\alpha$-stable model for the observed signal with a neural network-based approach for modeling steering vectors. Specifically, a physics-informed neural network, referred to as Neural Steerer, is used to interpolate measured steering vectors (SVs) on a fixed microphone array. This allows for a more robust estimation of the so-called $\alpha$-stable spatial measure, which represents the most plausible direction of arrival (DOA) of a target signal. As an $\alpha$-stable model for the non-Gaussian case ($\alpha$ $\in$ (0, 2)) theoretically defines a unique spatial measure, we choose to leverage it to account for residual reconstruction error of the Neural Steerer in the downstream tasks. The objective scores indicate that our proposed technique outperforms state-of-the-art methods in the case of multiple sound sources.
comment: European Signal Processing Conference (EUSIPCO), Sep 2025, Palermo, Italy
LLMs on a Budget? Say HOLA
Running Large Language Models (LLMs) on edge devices is constrained by high compute and memory demands posing a barrier for real-time applications in sectors like healthcare, education, and embedded systems. Current solutions such as quantization, pruning, and retrieval-augmented generation (RAG) offer only partial optimizations and often compromise on speed or accuracy. We introduce HOLA, an end-to-end optimization framework for efficient LLM deployment. Internally, it leverages Hierarchical Speculative Decoding (HSD) for faster inference without quality loss. Externally, AdaComp-RAG adjusts retrieval complexity based on context needs. Together with LoBi, which blends structured pruning (LoRA) and quantization, HOLA delivers significant gains: 17.6% EMA on GSM8K, 10.5% MCA on ARC, and reduced latency and memory on edge devices like Jetson Nano--proving both scalable and production-ready.
♻ ☆ Accurate and scalable exchange-correlation with deep learning
Density Functional Theory (DFT) is the most widely used electronic structure method for predicting the properties of molecules and materials. Although DFT is, in principle, an exact reformulation of the Schr\"odinger equation, practical applications rely on approximations to the unknown exchange-correlation (XC) functional. Most existing XC functionals are constructed using a limited set of increasingly complex, hand-crafted features that improve accuracy at the expense of computational efficiency. Yet, no current approximation achieves the accuracy and generality for predictive modeling of laboratory experiments at chemical accuracy -- typically defined as errors below 1 kcal/mol. In this work, we present Skala, a modern deep learning-based XC functional that bypasses expensive hand-designed features by learning representations directly from data. Skala achieves chemical accuracy for atomization energies of small molecules while retaining the computational efficiency typical of semi-local DFT. This performance is enabled by training on an unprecedented volume of high-accuracy reference data generated using computationally intensive wavefunction-based methods. Notably, Skala systematically improves with additional training data covering diverse chemistry. By incorporating a modest amount of additional high-accuracy data tailored to chemistry beyond atomization energies, Skala achieves accuracy competitive with the best-performing hybrid functionals across general main group chemistry, at the cost of semi-local DFT. As the training dataset continues to expand, Skala is poised to further enhance the predictive power of first-principles simulations.
comment: Main: 13 pages plus references, 11 figures and tables. Supplementary information: 19 pages, 12 figures and tables. v2 update: fix rendering of figure 1 and part of figure 5 in Safari PDF viewer. v3 update: update author information and fix typo
♻ ☆ A Reliable Framework for Human-in-the-Loop Anomaly Detection in Time Series
Time series anomaly detection is a critical machine learning task for numerous applications, such as finance, healthcare, and industrial systems. However, even high-performing models may exhibit potential issues such as biases, leading to unreliable outcomes and misplaced confidence. While model explanation techniques, particularly visual explanations, offer valuable insights by elucidating model attributions of their decision, many limitations still exist -- They are primarily instance-based and not scalable across the dataset, and they provide one-directional information from the model to the human side, lacking a mechanism for users to address detected issues. To fulfill these gaps, we introduce HILAD, a novel framework designed to foster a dynamic and bidirectional collaboration between humans and AI for enhancing anomaly detection models in time series. Through our visual interface, HILAD empowers domain experts to detect, interpret, and correct unexpected model behaviors at scale. Our evaluation through user studies with two models and three time series datasets demonstrates the effectiveness of HILAD, which fosters a deeper model understanding, immediate corrective actions, and model reliability enhancement.
comment: The manuscript is currently under review
♻ ☆ CDI: Copyrighted Data Identification in Diffusion Models CVPR2025
Diffusion Models (DMs) benefit from large and diverse datasets for their training. Since this data is often scraped from the Internet without permission from the data owners, this raises concerns about copyright and intellectual property protections. While (illicit) use of data is easily detected for training samples perfectly re-created by a DM at inference time, it is much harder for data owners to verify if their data was used for training when the outputs from the suspect DM are not close replicas. Conceptually, membership inference attacks (MIAs), which detect if a given data point was used during training, present themselves as a suitable tool to address this challenge. However, we demonstrate that existing MIAs are not strong enough to reliably determine the membership of individual images in large, state-of-the-art DMs. To overcome this limitation, we propose CDI, a framework for data owners to identify whether their dataset was used to train a given DM. CDI relies on dataset inference techniques, i.e., instead of using the membership signal from a single data point, CDI leverages the fact that most data owners, such as providers of stock photography, visual media companies, or even individual artists, own datasets with multiple publicly exposed data points which might all be included in the training of a given DM. By selectively aggregating signals from existing MIAs and using new handcrafted methods to extract features for these datasets, feeding them to a scoring model, and applying rigorous statistical testing, CDI allows data owners with as little as 70 data points to identify with a confidence of more than 99% whether their data was used to train a given DM. Thereby, CDI represents a valuable tool for data owners to claim illegitimate use of their copyrighted data. We make the code available at https://github.com/sprintml/copyrighted_data_identification
comment: Accepted at CVPR2025 (Conference on Computer Vision and Pattern Recognition) Code available at https://github.com/sprintml/copyrighted_data_identification
♻ ☆ Controlling Moments with Kernel Stein Discrepancies
Kernel Stein discrepancies (KSDs) measure the quality of a distributional approximation and can be computed even when the target density has an intractable normalizing constant. Notable applications include the diagnosis of approximate MCMC samplers and goodness-of-fit tests for unnormalized statistical models. The present work analyzes the convergence control properties of KSDs. We first show that standard KSDs used for weak convergence control fail to control moment convergence. To address this limitation, we next provide sufficient conditions under which alternative diffusion KSDs control both moment and weak convergence. As an immediate consequence we develop, for each $q > 0$, the first KSDs known to exactly characterize $q$-Wasserstein convergence.
comment: Accepted to the Annals of Applied Probability (103 pages, 10 figures)
♻ ☆ EXPRTS: Exploring and Probing the Robustness ofTime Series Forecasting Models
When deploying time series forecasting models based on machine learning to real world settings, one often encounter situations where the data distribution drifts. Such drifts expose the forecasting models to out-of-distribution (OOD) data, and machine learning models lack robustness in these settings. Robustness can be improved by using deep generative models or genetic algorithms to augment time series datasets, but these approaches lack interpretability and are computationally expensive. In this work, we develop an interpretable and simple framework for generating time series. Our method combines time-series decompositions with analytic functions, and is able to generate time series with characteristics matching both in- and out-of-distribution data. This approach allows users to generate new time series in an interpretable fashion, which can be used to augment the dataset and improve forecasting robustness. We demonstrate our framework through EXPRTS, a visual analytics tool designed for univariate time series forecasting models and datasets. Different visualizations of the data distribution, forecasting errors and single time series instances enable users to explore time series datasets, apply transformations, and evaluate forecasting model robustness across diverse scenarios. We show how our framework can generate meaningful OOD time series that improve model robustness, and we validate EXPRTS effectiveness and usability through three use-cases and a user study.
comment: under review
♻ ☆ Segmentation-Aware Generative Reinforcement Network (GRN) for Tissue Layer Segmentation in 3-D Ultrasound Images for Chronic Low-back Pain (cLBP) Assessment
We introduce a novel segmentation-aware joint training framework called generative reinforcement network (GRN) that integrates segmentation loss feedback to optimize both image generation and segmentation performance in a single stage. An image enhancement technique called segmentation-guided enhancement (SGE) is also developed, where the generator produces images tailored specifically for the segmentation model. Two variants of GRN were also developed, including GRN for sample-efficient learning (GRN-SEL) and GRN for semi-supervised learning (GRN-SSL). GRN's performance was evaluated using a dataset of 69 fully annotated 3D ultrasound scans from 29 subjects. The annotations included six anatomical structures: dermis, superficial fat, superficial fascial membrane (SFM), deep fat, deep fascial membrane (DFM), and muscle. Our results show that GRN-SEL with SGE reduces labeling efforts by up to 70% while achieving a 1.98% improvement in the Dice Similarity Coefficient (DSC) compared to models trained on fully labeled datasets. GRN-SEL alone reduces labeling efforts by 60%, GRN-SSL with SGE decreases labeling requirements by 70%, and GRN-SSL alone by 60%, all while maintaining performance comparable to fully supervised models. These findings suggest the effectiveness of the GRN framework in optimizing segmentation performance with significantly less labeled data, offering a scalable and efficient solution for ultrasound image analysis and reducing the burdens associated with data annotation.
♻ ☆ A Comprehensive Study of Machine Learning Techniques for Log-Based Anomaly Detection
Growth in system complexity increases the need for automated log analysis techniques, such as Log-based Anomaly Detection (LAD). While deep learning (DL) methods have been widely used for LAD, traditional machine learning (ML) techniques can also perform well depending on the context and dataset. Semi-supervised techniques deserve the same attention as they offer practical advantages over fully supervised methods. Current evaluations mainly focus on detection accuracy, but this alone is insufficient to determine the suitability of a technique for a given LAD task. Other aspects to consider include training and prediction times as well as the sensitivity to hyperparameter tuning, which in practice matters to engineers. This paper presents a comprehensive empirical study evaluating a wide range of supervised and semi-supervised, traditional and deep ML techniques across four criteria: detection accuracy, time performance, and sensitivity to hyperparameter tuning in both detection accuracy and time performance. The experimental results show that supervised traditional and deep ML techniques fare similarly in terms of their detection accuracy and prediction time on most of the benchmark datasets considered in our study. Moreover, overall, sensitivity analysis to hyperparameter tuning with respect to detection accuracy shows that supervised traditional ML techniques are less sensitive than deep learning techniques. Further, semi-supervised techniques yield significantly worse detection accuracy than supervised techniques.
comment: Accepted by EMSE'25
♻ ☆ Conformal Prediction for Causal Effects of Continuous Treatments
Uncertainty quantification of causal effects is crucial for safety-critical applications such as personalized medicine. A powerful approach for this is conformal prediction, which has several practical benefits due to model-agnostic finite-sample guarantees. Yet, existing methods for conformal prediction of causal effects are limited to binary/discrete treatments and make highly restrictive assumptions such as known propensity scores. In this work, we provide a novel conformal prediction method for potential outcomes of continuous treatments. We account for the additional uncertainty introduced through propensity estimation so that our conformal prediction intervals are valid even if the propensity score is unknown. Our contributions are three-fold: (1) We derive finite-sample prediction intervals for potential outcomes of continuous treatments. (2) We provide an algorithm for calculating the derived intervals. (3) We demonstrate the effectiveness of the conformal prediction intervals in experiments on synthetic and real-world datasets. To the best of our knowledge, we are the first to propose conformal prediction for continuous treatments when the propensity score is unknown and must be estimated from data.
♻ ☆ Regularized Neural Ensemblers
Ensemble methods are known for enhancing the accuracy and robustness of machine learning models by combining multiple base learners. However, standard approaches like greedy or random ensembling often fall short, as they assume a constant weight across samples for the ensemble members. This can limit expressiveness and hinder performance when aggregating the ensemble predictions. In this study, we explore employing regularized neural networks as ensemble methods, emphasizing the significance of dynamic ensembling to leverage diverse model predictions adaptively. Motivated by the risk of learning low-diversity ensembles, we propose regularizing the ensembling model by randomly dropping base model predictions during the training. We demonstrate this approach provides lower bounds for the diversity within the ensemble, reducing overfitting and improving generalization capabilities. Our experiments showcase that the regularized neural ensemblers yield competitive results compared to strong baselines across several modalities such as computer vision, natural language processing, and tabular data.
comment: Accepted in AutoML Conference 2025
♻ ☆ Kernel spectral joint embeddings for high-dimensional noisy datasets using duo-landmark integral operators
Integrative analysis of multiple heterogeneous datasets has become standard practice in many research fields, especially in single-cell genomics and medical informatics. Existing approaches oftentimes suffer from limited power in capturing nonlinear structures, insufficient account of noisiness and effects of high-dimensionality, lack of adaptivity to signals and sample sizes imbalance, and their results are sometimes difficult to interpret. To address these limitations, we propose a novel kernel spectral method that achieves joint embeddings of two independently observed high-dimensional noisy datasets. The proposed method automatically captures and leverages possibly shared low-dimensional structures across datasets to enhance embedding quality. The obtained low-dimensional embeddings can be utilized for many downstream tasks such as simultaneous clustering, data visualization, and denoising. The proposed method is justified by rigorous theoretical analysis. Specifically, we show the consistency of our method in recovering the low-dimensional noiseless signals, and characterize the effects of the signal-to-noise ratios on the rates of convergence. Under a joint manifolds model framework, we establish the convergence of ultimate embeddings to the eigenfunctions of some newly introduced integral operators. These operators, referred to as duo-landmark integral operators, are defined by the convolutional kernel maps of some reproducing kernel Hilbert spaces (RKHSs). These RKHSs capture the either partially or entirely shared underlying low-dimensional nonlinear signal structures of the two datasets. Our numerical experiments and analyses of two single-cell omics datasets demonstrate the empirical advantages of the proposed method over existing methods in both embeddings and several downstream tasks.
comment: 57 pages, 16 figures
♻ ☆ Maximizing Confidence Alone Improves Reasoning
Reinforcement learning (RL) has enabled machine learning models to achieve significant advances in many fields. Most recently, RL has empowered frontier language models to solve challenging math, science, and coding problems. However, central to any RL algorithm is the reward function, and reward engineering is a notoriously difficult problem in any domain. In this paper, we propose RENT: Reinforcement Learning via Entropy Minimization -- a fully unsupervised RL method that requires no external reward or ground-truth answers, and instead uses the model's entropy of its underlying distribution as an intrinsic reward. We find that by reinforcing the chains of thought that yield high model confidence on its generated answers, the model improves its reasoning ability. In our experiments, we showcase these improvements on an extensive suite of commonly-used reasoning benchmarks, including GSM8K, MATH500, AMC, AIME, and GPQA, and models of varying sizes from the Qwen and Mistral families. The generality of our unsupervised learning method lends itself to applicability in a wide range of domains where external supervision is unavailable.
comment: Website: https://rent-rl.github.io/
♻ ☆ Image Captions are Natural Prompts for Text-to-Image Models
With the rapid development of Artificial Intelligence Generated Content (AIGC), it has become a common practice to train models on synthetic data due to data-scarcity and privacy leakage problems. Owing to massive and diverse information conveyed in real images, it is challenging for text-to-image generative models to synthesize informative training data with hand-crafted prompts. Considering the impressive ability of large generative models, could such models directly synthesize good training images for prediction tasks with proper prompts? We offer an affirmative response to this question by proposing a simple yet effective method, validated through ImageNet classification. Specifically, we caption each real image with the advanced captioning model to obtain informative and faithful prompts that extract class-relevant information and clarify the polysemy of class names. The image captions and class names are concatenated to prompt generative models for training image synthesis. We show that this simple caption incorporation significantly boosts the informativeness of synthetic data therefore enhancing downstream model generalization. More importantly, besides improvements in data augmentation and privacy preservation, our experiments demonstrate that synthesized images can exceed real data in terms of out-of-distribution robustness.
comment: 31 pages, 2 figure, 15 tables. Codes are available at https://github.com/LeavesLei/Caption_in_Prompt
♻ ☆ Simple and Critical Iterative Denoising: A Recasting of Discrete Diffusion in Graph Generation ICML 2025
Discrete Diffusion and Flow Matching models have significantly advanced generative modeling for discrete structures, including graphs. However, the dependencies between intermediate noisy states lead to error accumulation and propagation during the reverse denoising process - a phenomenon known as compounding denoising errors. To address this problem, we propose a novel framework called Simple Iterative Denoising, which simplifies discrete diffusion and circumvents the issue by assuming conditional independence between intermediate states. Additionally, we enhance our model by incorporating a Critic. During generation, the Critic selectively retains or corrupts elements in an instance based on their likelihood under the data distribution. Our empirical evaluations demonstrate that the proposed method significantly outperforms existing discrete diffusion baselines in graph generation tasks.
comment: ICML 2025 Accepted paper
♻ ☆ Learning to Insert for Constructive Neural Vehicle Routing Solver
Neural Combinatorial Optimisation (NCO) is a promising learning-based approach for solving Vehicle Routing Problems (VRPs) without extensive manual design. While existing constructive NCO methods typically follow an appending-based paradigm that sequentially adds unvisited nodes to partial solutions, this rigid approach often leads to suboptimal results. To overcome this limitation, we explore the idea of insertion-based paradigm and propose Learning to Construct with Insertion-based Paradigm (L2C-Insert), a novel learning-based method for constructive NCO. Unlike traditional approaches, L2C-Insert builds solutions by strategically inserting unvisited nodes at any valid position in the current partial solution, which can significantly enhance the flexibility and solution quality. The proposed framework introduces three key components: a novel model architecture for precise insertion position prediction, an efficient training scheme for model optimization, and an advanced inference technique that fully exploits the insertion paradigm's flexibility. Extensive experiments on both synthetic and real-world instances of the Travelling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) demonstrate that L2C-Insert consistently achieves superior performance across various problem sizes.
♻ ☆ A generalized neural tangent kernel for surrogate gradient learning
State-of-the-art neural network training methods depend on the gradient of the network function. Therefore, they cannot be applied to networks whose activation functions do not have useful derivatives, such as binary and discrete-time spiking neural networks. To overcome this problem, the activation function's derivative is commonly substituted with a surrogate derivative, giving rise to surrogate gradient learning (SGL). This method works well in practice but lacks theoretical foundation. The neural tangent kernel (NTK) has proven successful in the analysis of gradient descent. Here, we provide a generalization of the NTK, which we call the surrogate gradient NTK, that enables the analysis of SGL. First, we study a naive extension of the NTK to activation functions with jumps, demonstrating that gradient descent for such activation functions is also ill-posed in the infinite-width limit. To address this problem, we generalize the NTK to gradient descent with surrogate derivatives, i.e., SGL. We carefully define this generalization and expand the existing key theorems on the NTK with mathematical rigor. Further, we illustrate our findings with numerical experiments. Finally, we numerically compare SGL in networks with sign activation function and finite width to kernel regression with the surrogate gradient NTK; the results confirm that the surrogate gradient NTK provides a good characterization of SGL.
comment: 53 pages, 3 figures + 4 supplementary figures
♻ ☆ Reasoning Limitations of Multimodal Large Language Models. A Case Study of Bongard Problems ICML 2025
Abstract visual reasoning (AVR) involves discovering shared concepts across images through analogy, akin to solving IQ test problems. Bongard Problems (BPs) remain a key challenge in AVR, requiring both visual reasoning and verbal description. We investigate whether multimodal large language models (MLLMs) can solve BPs by formulating a set of diverse MLLM-suited solution strategies and testing $4$ proprietary and $4$ open-access models on $3$ BP datasets featuring synthetic (classic BPs) and real-world (Bongard HOI and Bongard-OpenWorld) images. Despite some successes on real-world datasets, MLLMs struggle with synthetic BPs. To explore this gap, we introduce Bongard-RWR, a dataset representing synthetic BP concepts using real-world images. Our findings suggest that weak MLLM performance on classical BPs is not due to the domain specificity, but rather comes from their general AVR limitations. Code and dataset are available at: https://github.com/pavonism/bongard-rwr
comment: Accepted to The Forty-Second International Conference on Machine Learning (ICML 2025)
♻ ☆ The Impact of Input Order Bias on Large Language Models for Software Fault Localization
Large Language Models (LLMs) have shown significant potential in software engineering tasks such as Fault Localization (FL) and Automatic Program Repair (APR). This study investigates how input order and context size influence LLM performance in FL, a crucial step for many downstream software engineering tasks. We evaluate different method orderings using Kendall Tau distances, including "perfect" (where ground truths appear first) and "worst" (where ground truths appear last), across two benchmarks containing Java and Python projects. Our results reveal a strong order bias: in Java projects, Top-1 FL accuracy drops from 57% to 20% when reversing the order, while in Python projects, it decreases from 38% to approximately 3%. However, segmenting inputs into smaller contexts mitigates this bias, reducing the performance gap in FL from 22% and 6% to just 1% across both benchmarks. We replaced method names with semantically meaningful alternatives to determine whether this bias is due to data leakage. The observed trends remained consistent, suggesting that the bias is not caused by memorization from training data but rather by the inherent effect of input order. Additionally, we explored ordering methods based on traditional FL techniques and metrics, finding that DepGraph's ranking achieves 48% Top-1 accuracy, outperforming simpler approaches such as CallGraph(DFS). These findings highlight the importance of structuring inputs, managing context effectively, and selecting appropriate ordering strategies to enhance LLM performance in FL and other software engineering applications.
♻ ☆ Fast Bayesian Optimization of Function Networks with Partial Evaluations
Bayesian optimization of function networks (BOFN) is a framework for optimizing expensive-to-evaluate objective functions structured as networks, where some nodes' outputs serve as inputs for others. Many real-world applications, such as manufacturing and drug discovery, involve function networks with additional properties - nodes that can be evaluated independently and incur varying costs. A recent BOFN variant, p-KGFN, leverages this structure and enables cost-aware partial evaluations, selectively querying only a subset of nodes at each iteration. p-KGFN reduces the number of expensive objective function evaluations needed but has a large computational overhead: choosing where to evaluate requires optimizing a nested Monte Carlo-based acquisition function for each node in the network. To address this, we propose an accelerated p-KGFN algorithm that reduces computational overhead with only a modest loss in query efficiency. Key to our approach is generation of node-specific candidate inputs for each node in the network via one inexpensive global Monte Carlo simulation. Numerical experiments show that our method maintains competitive query efficiency while achieving up to a 16x speedup over the original p-KGFN algorithm.
comment: 16 pages, 8 figures, 1 table
♻ ☆ SEAL: Scaling to Emphasize Attention for Long-Context Retrieval ACL 2025
While many advanced LLMs are designed to handle long sequence data, we can still observe notable quality degradation even within the sequence limit. In this work, we introduce a novel approach called Scaling to Emphasize Attention for Long-context retrieval (SEAL), which enhances the retrieval performance of large language models (LLMs) over long contexts. We observe that specific attention heads are closely tied to long-context retrieval, showing positive or negative correlation with retrieval scores, and adjusting the strength of these heads boosts the quality of LLMs in long context by a large margin. Built on this insight, we propose a learning-based mechanism that leverages generated data to emphasize these heads. By applying SEAL, we achieve significant improvements in long-context retrieval performance across various tasks and models. Additionally, when combined with existing training-free context extension techniques, SEAL extends the contextual limits of LLMs while maintaining highly reliable outputs.
comment: Accepted at ACL 2025 Main
♻ ☆ DiffDesign: Controllable Diffusion with Meta Prior for Efficient Interior Design Generation
Interior design is a complex and creative discipline involving aesthetics, functionality, ergonomics, and materials science. Effective solutions must meet diverse requirements, typically producing multiple deliverables such as renderings and design drawings from various perspectives. Consequently, interior design processes are often inefficient and demand significant creativity. With advances in machine learning, generative models have emerged as a promising means of improving efficiency by creating designs from text descriptions or sketches. However, few generative works focus on interior design, leading to substantial discrepancies between outputs and practical needs, such as differences in size, spatial scope, and the lack of controllable generation quality. To address these challenges, we propose DiffDesign, a controllable diffusion model with meta priors for efficient interior design generation. Specifically, we utilize the generative priors of a 2D diffusion model pre-trained on a large image dataset as our rendering backbone. We further guide the denoising process by disentangling cross-attention control over design attributes, such as appearance, pose, and size, and introduce an optimal transfer-based alignment module to enforce view consistency. Simultaneously, we construct an interior design-specific dataset, DesignHelper, consisting of over 400 solutions across more than 15 spatial types and 15 design styles. This dataset helps fine-tune DiffDesign. Extensive experiments conducted on various benchmark datasets demonstrate the effectiveness and robustness of DiffDesign.
♻ ☆ When to Forget? Complexity Trade-offs in Machine Unlearning
Machine Unlearning (MU) aims at removing the influence of specific data points from a trained model, striving to achieve this at a fraction of the cost of full model retraining. In this paper, we analyze the efficiency of unlearning methods and establish the first upper and lower bounds on minimax computation times for this problem, characterizing the performance of the most efficient algorithm against the most difficult objective function. Specifically, for strongly convex objective functions and under the assumption that the forget data is inaccessible to the unlearning method, we provide a phase diagram for the unlearning complexity ratio -- a novel metric that compares the computational cost of the best unlearning method to full model retraining. The phase diagram reveals three distinct regimes: one where unlearning at a reduced cost is infeasible, another where unlearning is trivial because adding noise suffices, and a third where unlearning achieves significant computational advantages over retraining. These findings highlight the critical role of factors such as data dimensionality, the number of samples to forget, and privacy constraints in determining the practical feasibility of unlearning.
♻ ☆ Learning interpretable positional encodings in transformers depends on initialization ICML 2025
In transformers, the positional encoding (PE) provides essential information that distinguishes the position and order amongst tokens in a sequence. Most prior investigations of PE effects on generalization were tailored to 1D input sequences, such as those presented in natural language, where adjacent tokens (e.g., words) are highly related. In contrast, many real world tasks involve datasets with highly non-trivial positional arrangements, such as datasets organized in multiple spatial dimensions, or datasets for which ground truth positions are not known. Here we find that the choice of initialization of a learnable PE greatly influences its ability to learn interpretable PEs that lead to enhanced generalization. We empirically demonstrate our findings in three experiments: 1) A 2D relational reasoning task; 2) A nonlinear stochastic network simulation; 3) A real world 3D neuroscience dataset, applying interpretability analyses to verify the learning of accurate PEs. Overall, we find that a learned PE initialized from a small-norm distribution can 1) uncover interpretable PEs that mirror ground truth positions in multiple dimensions, and 2) lead to improved generalization. These results illustrate the feasibility of learning identifiable and interpretable PEs for enhanced generalization.
comment: ICML 2025, Workshop on Actionable Interpretability
♻ ☆ PC-SRGAN: Physically Consistent Super-Resolution Generative Adversarial Network for General Transient Simulations
Machine Learning, particularly Generative Adversarial Networks (GANs), has revolutionised Super Resolution (SR). However, generated images often lack physical meaningfulness, which is essential for scientific applications. Our approach, PC-SRGAN, enhances image resolution while ensuring physical consistency for interpretable simulations. PC-SRGAN significantly improves both the Peak Signal-to-Noise Ratio and the Structural Similarity Index Measure compared to conventional methods, even with limited training data (e.g., only 13% of training data required for SRGAN). Beyond SR, PC-SRGAN augments physically meaningful machine learning, incorporating numerically justified time integrators and advanced quality metrics. These advancements promise reliable and causal machine-learning models in scientific domains. A significant advantage of PC-SRGAN over conventional SR techniques is its physical consistency, which makes it a viable surrogate model for time-dependent problems. PC-SRGAN advances scientific machine learning, offering improved accuracy and efficiency for image processing, enhanced process understanding, and broader applications to scientific research. We publicly release the complete source code at https://github.com/hasan-rakibul/PC-SRGAN.
♻ ☆ BAnG: Bidirectional Anchored Generation for Conditional RNA Design
Designing RNA molecules that interact with specific proteins is a critical challenge in experimental and computational biology. Existing computational approaches require a substantial amount of previously known interacting RNA sequences for each specific protein or a detailed knowledge of RNA structure, restricting their utility in practice. To address this limitation, we develop RNA-BAnG, a deep learning-based model designed to generate RNA sequences for protein interactions without these requirements. Central to our approach is a novel generative method, Bidirectional Anchored Generation (BAnG), which leverages the observation that protein-binding RNA sequences often contain functional binding motifs embedded within broader sequence contexts. We first validate our method on generic synthetic tasks involving similar localized motifs to those appearing in RNAs, demonstrating its benefits over existing generative approaches. We then evaluate our model on biological sequences, showing its effectiveness for conditional RNA sequence design given a binding protein.
♻ ☆ One Step Diffusion via Shortcut Models
Diffusion models and flow-matching models have enabled generating diverse and realistic images by learning to transfer noise to data. However, sampling from these models involves iterative denoising over many neural network passes, making generation slow and expensive. Previous approaches for speeding up sampling require complex training regimes, such as multiple training phases, multiple networks, or fragile scheduling. We introduce shortcut models, a family of generative models that use a single network and training phase to produce high-quality samples in a single or multiple sampling steps. Shortcut models condition the network not only on the current noise level but also on the desired step size, allowing the model to skip ahead in the generation process. Across a wide range of sampling step budgets, shortcut models consistently produce higher quality samples than previous approaches, such as consistency models and reflow. Compared to distillation, shortcut models reduce complexity to a single network and training phase and additionally allow varying step budgets at inference time.
♻ ☆ VesselGPT: Autoregressive Modeling of Vascular Geometry MICCAI 2025
Anatomical trees are critical for clinical diagnosis and treatment planning, yet their complex and diverse geometry make accurate representation a significant challenge. Motivated by the latest advances in large language models, we introduce an autoregressive method for synthesizing anatomical trees. Our approach first embeds vessel structures into a learned discrete vocabulary using a VQ-VAE architecture, then models their generation autoregressively with a GPT-2 model. This method effectively captures intricate geometries and branching patterns, enabling realistic vascular tree synthesis. Comprehensive qualitative and quantitative evaluations reveal that our technique achieves high-fidelity tree reconstruction with compact discrete representations. Moreover, our B-spline representation of vessel cross-sections preserves critical morphological details that are often overlooked in previous' methods parameterizations. To the best of our knowledge, this work is the first to generate blood vessels in an autoregressive manner. Code is available at https://github.com/LIA-DiTella/VesselGPT-MICCAI.
comment: Accepted for MICCAI 2025
♻ ☆ Bures-Wasserstein Flow Matching for Graph Generation
Graph generation has emerged as a critical task in fields ranging from molecule design to drug discovery. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing a probability path that interpolates between a reference distribution and the data distribution. However, these methods typically model the evolution of individual nodes and edges independently and use linear interpolations to build the path assuming that the data lie in Euclidean space. We show that this is suboptimal given the intrinsic non-Euclidean structure and interconnected patterns of graphs, and it poses risks to the sampling convergence. To build a better probability path, we model the joint evolution of the nodes and edges by representing graphs as connected systems parameterized by Markov random fields (MRF). We then leverage the optimal transport displacement between MRF objects to design the probability path for graph generation. Based on this, we introduce BWFlow, a flow-matching framework for graph generation that respects the underlying geometry of graphs and provides smooth velocities in the probability path. The novel framework can be adapted to both continuous and discrete flow-matching algorithms. Experimental evaluations in plain graph generation and 2D/3D molecule generation validate the effectiveness of BWFlow in graph generation with competitive performance, stable training, and guaranteed sampling convergence.
♻ ☆ Radio Map Prediction from Aerial Images and Application to Coverage Optimization
Several studies have explored deep learning algorithms to predict large-scale signal fading, or path loss, in urban communication networks. The goal is to replace costly measurement campaigns, inaccurate statistical models, or computationally expensive ray-tracing simulations with machine learning models that deliver quick and accurate predictions. We focus on predicting path loss radio maps using convolutional neural networks, leveraging aerial images alone or in combination with supplementary height information. Notably, our approach does not rely on explicit classification of environmental objects, which is often unavailable for most locations worldwide. While the prediction of radio maps using complete 3D environmental data is well-studied, the use of only aerial images remains under-explored. We address this gap by showing that state-of-the-art models developed for existing radio map datasets can be effectively adapted to this task. Additionally, we introduce a new model dubbed UNetDCN that achieves on par or better performance compared to the state-of-the-art with reduced complexity. The trained models are differentiable, and therefore they can be incorporated in various network optimization algorithms. While an extensive discussion is beyond this paper's scope, we demonstrate this through an example optimizing the directivity of base stations in cellular networks via backpropagation to enhance coverage.
comment: 13 pages, 8 Figures, To appear in IEEE Transactions on Wireless Communications. arXiv admin note: substantial text overlap with arXiv:2402.00878
♻ ☆ Soft decision trees for survival analysis
Decision trees are popular in survival analysis for their interpretability and ability to model complex relationships. Survival trees, which predict the timing of singular events using censored historical data, are typically built through heuristic approaches. Recently, there has been growing interest in globally optimized trees, where the overall tree is trained by minimizing the error function over all its parameters. We propose a new soft survival tree model (SST), with a soft splitting rule at each branch node, trained via a nonlinear optimization formulation amenable to decomposition. Since SSTs provide for every input vector a specific survival function associated to a single leaf node, they satisfy the conditional computation property and inherit the related benefits. SST and the training formulation combine flexibility with interpretability: any smooth survival function (parametric, semiparametric, or nonparametric) estimated through maximum likelihood can be used, and each leaf node of an SST yields a cluster of distinct survival functions which are associated to the data points routed to it. Numerical experiments on 15 well-known datasets show that SSTs, with parametric and spline-based semiparametric survival functions, trained using an adaptation of the node-based decomposition algorithm proposed by Consolo et al. (2024) for soft regression trees, outperform three benchmark survival trees in terms of four widely-used discrimination and calibration measures. SSTs can also be extended to consider group fairness.
♻ ☆ Accurate early detection of Parkinson's disease from SPECT imaging through Convolutional Neural Networks
Early and accurate detection of Parkinson's disease (PD) is a crucial diagnostic challenge carrying immense clinical significance, for effective treatment regimens and patient management. For instance, a group of subjects termed SWEDD who are clinically diagnosed as PD, but show normal Single Photon Emission Computed Tomography (SPECT) scans, change their diagnosis as non-PD after few years of follow up, and in the meantime, they are treated with PD medications which do more harm than good. In this work, machine learning models are developed using features from SPECT images to detect early PD and SWEDD subjects from normal. These models were observed to perform with high accuracy. It is inferred from the study that these diagnostic models carry potential to help PD clinicians in the diagnostic process
comment: This article is accepted and published with revisions to the Artificial Intelligence in Health journal (2025). The accepted article can be accessed at https://doi.org/10.36922/AIH025040005
♻ ☆ AutoPDL: Automatic Prompt Optimization for LLM Agents
The performance of large language models (LLMs) depends on how they are prompted, with choices spanning both the high-level prompting pattern (e.g., Zero-Shot, CoT, ReAct, ReWOO) and the specific prompt content (instructions and few-shot demonstrations). Manually tuning this combination is tedious, error-prone, and specific to a given LLM and task. Therefore, this paper proposes AutoPDL, an automated approach to discovering good LLM agent configurations. Our approach frames this as a structured AutoML problem over a combinatorial space of agentic and non-agentic prompting patterns and demonstrations, using successive halving to efficiently navigate this space. We introduce a library implementing common prompting patterns using the PDL prompt programming language. AutoPDL solutions are human-readable, editable, and executable PDL programs that use this library. This approach also enables source-to-source optimization, allowing human-in-the-loop refinement and reuse. Evaluations across three tasks and seven LLMs (ranging from 3B to 70B parameters) show consistent accuracy gains ($9.06\pm15.3$ percentage points), up to 68.9pp, and reveal that selected prompting strategies vary across models and tasks.
♻ ☆ Hidden Breakthroughs in Language Model Training
Loss curves are smooth during most of model training, so visible discontinuities stand out as possible conceptual breakthroughs. Studying these breakthroughs enables a deeper understanding of learning dynamics, but only when they are properly identified. This paper argues that similar breakthroughs occur frequently throughout training but they are obscured by a loss metric that collapses all variation into a single scalar. To find these hidden transitions, we introduce POLCA, a method for decomposing changes in loss along arbitrary bases of the low-rank training subspace. We use our method to identify clusters of samples that share similar changes in loss during training, disaggregating the overall loss into that of smaller groups of conceptually similar data. We validate our method on synthetic arithmetic and natural language tasks, showing that POLCA recovers clusters that represent interpretable breakthroughs in the model's capabilities. We demonstrate the promise of these hidden phase transitions as a tool for unsupervised interpretability.
comment: 17 pages, 10 figures
♻ ☆ Affordable AI Assistants with Knowledge Graph of Thoughts
Large Language Models (LLMs) are revolutionizing the development of AI assistants capable of performing diverse tasks across domains. However, current state-of-the-art LLM-driven agents face significant challenges, including high operational costs and limited success rates on complex benchmarks like GAIA. To address these issues, we propose Knowledge Graph of Thoughts (KGoT), an innovative AI assistant architecture that integrates LLM reasoning with dynamically constructed knowledge graphs (KGs). KGoT extracts and structures task-relevant knowledge into a dynamic KG representation, iteratively enhanced through external tools such as math solvers, web crawlers, and Python scripts. Such structured representation of task-relevant knowledge enables low-cost models to solve complex tasks effectively while also minimizing bias and noise. For example, KGoT achieves a 29% improvement in task success rates on the GAIA benchmark compared to Hugging Face Agents with GPT-4o mini. Moreover, harnessing a smaller model dramatically reduces operational costs by over 36x compared to GPT-4o. Improvements for other models (e.g., Qwen2.5-32B and Deepseek-R1-70B) and benchmarks (e.g., SimpleQA) are similar. KGoT offers a scalable, affordable, versatile, and high-performing solution for AI assistants.
♻ ☆ Multi-Stage Manipulation with Demonstration-Augmented Reward, Policy, and World Model Learning
Long-horizon tasks in robotic manipulation present significant challenges in reinforcement learning (RL) due to the difficulty of designing dense reward functions and effectively exploring the expansive state-action space. However, despite a lack of dense rewards, these tasks often have a multi-stage structure, which can be leveraged to decompose the overall objective into manageable subgoals. In this work, we propose DEMO3, a framework that exploits this structure for efficient learning from visual inputs. Specifically, our approach incorporates multi-stage dense reward learning, a bi-phasic training scheme, and world model learning into a carefully designed demonstration-augmented RL framework that strongly mitigates the challenge of exploration in long-horizon tasks. Our evaluations demonstrate that our method improves data-efficiency by an average of 40% and by 70% on particularly difficult tasks compared to state-of-the-art approaches. We validate this across 16 sparse-reward tasks spanning four domains, including challenging humanoid visual control tasks using as few as five demonstrations.
comment: Project page can be found at https://adrialopezescoriza.github.io/demo3/
♻ ☆ Machine-learning based high-bandwidth magnetic sensing
Recent years have seen significant growth of quantum technologies, and specifically quantum sensing, both in terms of the capabilities of advanced platforms and their applications. One of the leading platforms in this context is nitrogen-vacancy (NV) color centers in diamond, providing versatile, high-sensitivity, and high-spatial-resolution magnetic sensing. Nevertheless, current schemes for spin resonance magnetic sensing (as applied by NV quantum sensing) suffer from tradeoffs associated with sensitivity, dynamic range, and bandwidth. Here we address this issue, and implement machine learning tools to enhance NV magnetic sensing in terms of the sensitivity/bandwidth tradeoff in large dynamic range scenarios. Our results indicate a potential reduction of required data points by at least a factor of 3, while maintaining the current error level. Our results promote quantum machine learning protocols for sensing applications towards more feasible and efficient quantum technologies.
comment: 12 pages including supplementary, 5 figures, 3 supplementary figures
♻ ☆ Indeterminate Probability Theory
Complex continuous or mixed joint distributions (e.g., P(Y | z_1, z_2, ..., z_N)) generally lack closed-form solutions, often necessitating approximations such as MCMC. This paper proposes Indeterminate Probability Theory (IPT), which makes the following contributions: (1) An observer-centered framework in which experimental outcomes are represented as distributions combining ground truth with observation error; (2) The introduction of three independence candidate axioms that enable a two-phase probabilistic inference framework; (3) The derivation of closed-form solutions for arbitrary complex joint distributions under this framework. Both the Indeterminate Probability Neural Network (IPNN) model and the non-neural multivariate time series forecasting application demonstrate IPT's effectiveness in modeling high-dimensional distributions, with successful validation up to 1000 dimensions. Importantly, IPT is consistent with classical probability theory and subsumes the frequentist equation in the limit of vanishing observation error.
comment: 25 pages
♻ ☆ SPoRt -- Safe Policy Ratio: Certified Training and Deployment of Task Policies in Model-Free RL
To apply reinforcement learning to safety-critical applications, we ought to provide safety guarantees during both policy training and deployment. In this work, we present theoretical results that place a bound on the probability of violating a safety property for a new task-specific policy in a model-free, episodic setting. This bound, based on a maximum policy ratio computed with respect to a 'safe' base policy, can also be applied to temporally-extended properties (beyond safety) and to robust control problems. To utilize these results, we introduce SPoRt, which provides a data-driven method for computing this bound for the base policy using the scenario approach, and includes Projected PPO, a new projection-based approach for training the task-specific policy while maintaining a user-specified bound on property violation. SPoRt thus enables users to trade off safety guarantees against task-specific performance. Complementing our theoretical results, we present experimental results demonstrating this trade-off and comparing the theoretical bound to posterior bounds derived from empirical violation rates.
comment: 9 pages + 16 pages supplementary material, 3 figures + 6 figures supplementary material
♻ ☆ Disentangling representations of retinal images with generative models
Retinal fundus images play a crucial role in the early detection of eye diseases. However, the impact of technical factors on these images can pose challenges for reliable AI applications in ophthalmology. For example, large fundus cohorts are often confounded by factors like camera type, bearing the risk of learning shortcuts rather than the causal relationships behind the image generation process. Here, we introduce a population model for retinal fundus images that effectively disentangles patient attributes from camera effects, enabling controllable and highly realistic image generation. To achieve this, we propose a disentanglement loss based on distance correlation. Through qualitative and quantitative analyses, we show that our models encode desired information in disentangled subspaces and enable controllable image generation based on the learned subspaces, demonstrating the effectiveness of our disentanglement loss. The project's code is publicly available: https://github.com/berenslab/disentangling-retinal-images.
comment: Final journal paper version for Medical Image Analysis (MedIA)
♻ ☆ xInv: Explainable Optimization of Inverse Problems
Inverse problems are central to a wide range of fields, including healthcare, climate science, and agriculture. They involve the estimation of inputs, typically via iterative optimization, to some known forward model so that it produces a desired outcome. Despite considerable development in the explainability and interpretability of forward models, the iterative optimization of inverse problems remains largely cryptic to domain experts. We propose a methodology to produce explanations, from traces produced by an optimizer, that are interpretable by humans at the abstraction of the domain. The central idea in our approach is to instrument a differentiable simulator so that it emits natural language events during its forward and backward passes. In a post-process, we use a Language Model to create an explanation from the list of events. We demonstrate the effectiveness of our approach with an illustrative optimization problem and an example involving the training of a neural network.
♻ ☆ TreeSynth: Synthesizing Diverse Data from Scratch via Tree-Guided Subspace Partitioning
Model customization necessitates high-quality and diverse datasets, but acquiring such data remains time-consuming and labor-intensive. Despite the great potential of large language models (LLMs) for data synthesis, current approaches are constrained by limited seed data, model biases, and low-variation prompts, resulting in limited diversity and biased distributions with the increase of data scales. To tackle this challenge, we introduce TREESYNTH, a tree-guided subspace-based data synthesis approach inspired by decision trees. It constructs a spatial partitioning tree to recursively divide a task-specific full data space (i.e., root node) into numerous atomic subspaces (i.e., leaf nodes) with mutually exclusive and exhaustive attributes to ensure both distinctiveness and comprehensiveness before synthesizing samples within each atomic subspace. This globally dividing-and-synthesizing method finally collects subspace samples into a comprehensive dataset, effectively circumventing repetition and space collapse to ensure the diversity of large-scale data synthesis. Furthermore, the spatial partitioning tree enables sample allocation into atomic subspaces, allowing the rebalancing of existing datasets for more balanced and comprehensive distributions. Empirically, extensive experiments across diverse benchmarks consistently demonstrate the superior data diversity, model performance, and robust scalability of TREESYNTH compared to both human-crafted datasets and peer data synthesis methods, with an average performance gain reaching 10%. Besides, the consistent improvements of TREESYNTH-balanced datasets highlight its efficacious application to redistribute existing datasets for more comprehensive coverage and the induced performance enhancement. The code is available at https://github.com/cpa2001/TreeSynth.
♻ ☆ LoRA-One: One-Step Full Gradient Could Suffice for Fine-Tuning Large Language Models, Provably and Efficiently ICML 2025
This paper explores how theory can guide and enhance practical algorithms, using Low-Rank Adaptation (LoRA, Hu et al. 2022) in large language models as a case study. We rigorously prove that, under gradient descent, LoRA adapters align with specific singular subspaces of the one-step full fine-tuning gradient. This result suggests that, by properly initializing the adapters using the one-step full gradient, subspace alignment can be achieved immediately and applicable to both linear and nonlinear models. Building on our theory, we propose a theory-driven algorithm, LoRA-One, where the linear convergence (as well as generalization) is built and incorporating preconditioners theoretically helps mitigate the effects of ill-conditioning. Besides, our theory reveals connections between LoRA-One and other gradient-alignment-based methods, helping to clarify misconceptions in the design of such algorithms. LoRA-One achieves significant empirical improvements over LoRA and its variants across benchmarks in natural language understanding, mathematical reasoning, and code generation. Code is available at: https://github.com/YuanheZ/LoRA-One.
comment: Accepted by ICML 2025 (Oral)
♻ ☆ Thermal Vision: Pioneering Non-Invasive Temperature Tracking in Congested Spaces
Non-invasive temperature monitoring of individuals plays a crucial role in identifying and isolating symptomatic individuals. Temperature monitoring becomes particularly vital in settings characterized by close human proximity, often referred to as dense settings. However, existing research on non-invasive temperature estimation using thermal cameras has predominantly focused on sparse settings. Unfortunately, the risk of disease transmission is significantly higher in dense settings like movie theaters or classrooms. Consequently, there is an urgent need to develop robust temperature estimation methods tailored explicitly for dense settings. Our study proposes a non-invasive temperature estimation system that combines a thermal camera with an edge device. Our system employs YOLO models for face detection and utilizes a regression framework for temperature estimation. We evaluated the system on a diverse dataset collected in dense and sparse settings. Our proposed face detection model achieves an impressive mAP score of over 84 in both in-dataset and cross-dataset evaluations. Furthermore, the regression framework demonstrates remarkable performance with a mean square error of 0.18$^{\circ}$C and an impressive $R^2$ score of 0.96. Our experiments' results highlight the developed system's effectiveness, positioning it as a promising solution for continuous temperature monitoring in real-world applications. With this paper, we release our dataset and programming code publicly.
♻ ☆ Harmony: A Joint Self-Supervised and Weakly-Supervised Framework for Learning General Purpose Visual Representations
Vision-language contrastive learning frameworks such as CLIP enable learning representations from natural language supervision and provide strong zero-shot classification capabilities. However, due to the nature of the supervisory signal in these paradigms, they lack the ability to learn localized features, leading to degraded performance on dense prediction tasks such as segmentation and detection. On the other hand, self-supervised learning methods have shown the ability to learn granular representations, complementing the high-level features in vision-language training. In this work, we present Harmony, a framework that combines vision-language training with discriminative and generative self-supervision to learn visual features that can be generalized across different downstream vision tasks. Our framework is specifically designed to work on web-scraped data by not relying on negative examples in the self-supervised learning path and addressing the one-to-one correspondence issue using soft CLIP targets generated by an EMA model. Moreover, Harmony optimizes for five different objectives simultaneously, efficiently utilizing the supervision in each data example, making it even more suited in data-constrained settings. We comprehensively evaluate Harmony across various vision downstream tasks and find that it significantly outperforms the baseline CLIP and outperforms the previously leading joint self- and weakly supervised methods, SLIP, MaskCLIP, and DetailCLIP.
comment: 27 pages
♻ ☆ Circuit Compositions: Exploring Modular Structures in Transformer-Based Language Models ACL 2025
A fundamental question in interpretability research is to what extent neural networks, particularly language models, implement reusable functions through subnetworks that can be composed to perform more complex tasks. Recent advances in mechanistic interpretability have made progress in identifying $\textit{circuits}$, which represent the minimal computational subgraphs responsible for a model's behavior on specific tasks. However, most studies focus on identifying circuits for individual tasks without investigating how functionally similar circuits $\textit{relate}$ to each other. To address this gap, we study the modularity of neural networks by analyzing circuits for highly compositional subtasks within a transformer-based language model. Specifically, given a probabilistic context-free grammar, we identify and compare circuits responsible for ten modular string-edit operations. Our results indicate that functionally similar circuits exhibit both notable node overlap and cross-task faithfulness. Moreover, we demonstrate that the circuits identified can be reused and combined through set operations to represent more complex functional model capabilities.
comment: ACL 2025 main, 22 pages, 21 figures
♻ ☆ An Expanded Benchmark that Rediscovers and Affirms the Edge of Uncertainty Sampling for Active Learning in Tabular Datasets
Active Learning (AL) addresses the crucial challenge of enabling machines to efficiently gather labeled examples through strategic queries. Among the many AL strategies, Uncertainty Sampling (US) stands out as one of the most widely adopted. US queries the example(s) that the current model finds uncertain, proving to be both straightforward and effective. Despite claims in the literature suggesting superior alternatives to US, community-wide acceptance remains elusive. In fact, existing benchmarks for tabular datasets present conflicting conclusions on the continued competitiveness of US. In this study, we review the literature on AL strategies in the last decade and build the most comprehensive open-source AL benchmark to date to understand the relative merits of different AL strategies. The benchmark surpasses existing ones by encompassing a broader coverage of strategies, models, and data. Through our investigation of the conflicting conclusions in existing tabular AL benchmarks by evaluation under broad AL experimental settings, we uncover fresh insights into the often-overlooked issue of using machine learning models--**model compatibility** in the context of US. Specifically, we notice that adopting the different models for the querying unlabeled examples and learning tasks would degrade US's effectiveness. Notably, our findings affirm that US maintains a competitive edge over other strategies when paired with compatible models. These findings have practical implications and provide a concrete recipe for AL practitioners, empowering them to make informed decisions when working with tabular classifications with limited labeled data. The code for this project is available on https://github.com/ariapoy/active-learning-benchmark.
♻ ☆ FARCLUSS: Fuzzy Adaptive Rebalancing and Contrastive Uncertainty Learning for Semi-Supervised Semantic Segmentation
Semi-supervised semantic segmentation (SSSS) faces persistent challenges in effectively leveraging unlabeled data, such as ineffective utilization of pseudo-labels, exacerbation of class imbalance biases, and neglect of prediction uncertainty. Current approaches often discard uncertain regions through strict thresholding favouring dominant classes. To address these limitations, we introduce a holistic framework that transforms uncertainty into a learning asset through four principal components: (1) fuzzy pseudo-labeling, which preserves soft class distributions from top-K predictions to enrich supervision; (2) uncertainty-aware dynamic weighting, that modulate pixel-wise contributions via entropy-based reliability scores; (3) adaptive class rebalancing, which dynamically adjust losses to counteract long-tailed class distributions; and (4) lightweight contrastive regularization, that encourage compact and discriminative feature embeddings. Extensive experiments on benchmarks demonstrate that our method outperforms current state-of-the-art approaches, achieving significant improvements in the segmentation of under-represented classes and ambiguous regions.
comment: Submitted to Neural Networks
♻ ☆ Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings NeurIPS 2025
Generating diverse, all-atom conformational ensembles of dynamic proteins such as G-protein-coupled receptors (GPCRs) is critical for understanding their function, yet most generative models simplify atomic detail or ignore conformational diversity altogether. We present latent diffusion for full protein generation (LD-FPG), a framework that constructs complete all-atom protein structures, including every side-chain heavy atom, directly from molecular dynamics (MD) trajectories. LD-FPG employs a Chebyshev graph neural network (ChebNet) to obtain low-dimensional latent embeddings of protein conformations, which are processed using three pooling strategies: blind, sequential and residue-based. A diffusion model trained on these latent representations generates new samples that a decoder, optionally regularized by dihedral-angle losses, maps back to Cartesian coordinates. Using D2R-MD, a 2-microsecond MD trajectory (12 000 frames) of the human dopamine D2 receptor in a membrane environment, the sequential and residue-based pooling strategy reproduces the reference ensemble with high structural fidelity (all-atom lDDT of approximately 0.7; C-alpha-lDDT of approximately 0.8) and recovers backbone and side-chain dihedral-angle distributions with a Jensen-Shannon divergence of less than 0.03 compared to the MD data. LD-FPG thereby offers a practical route to system-specific, all-atom ensemble generation for large proteins, providing a promising tool for structure-based therapeutic design on complex, dynamic targets. The D2R-MD dataset and our implementation are freely available to facilitate further research.
comment: 10 pages (main text), 4 figures, 2 tables. Submitted to NeurIPS 2025. Code and data are publicly available
♻ ☆ Optimizing Sensory Neurons: Nonlinear Attention Mechanisms for Accelerated Convergence in Permutation-Invariant Neural Networks for Reinforcement Learning
Training reinforcement learning (RL) agents often requires significant computational resources and prolonged training durations. To address this challenge, we build upon prior work that introduced a neural architecture with permutation-invariant sensory processing. We propose a modified attention mechanism that applies a non-linear transformation to the key vectors (K), producing enriched representations (K') through a custom mapping function. This Nonlinear Attention (NLA) mechanism enhances the representational capacity of the attention layer, enabling the agent to learn more expressive feature interactions. As a result, our model achieves significantly faster convergence and improved training efficiency, while maintaining performance on par with the baseline. These results highlight the potential of nonlinear attention mechanisms to accelerate reinforcement learning without sacrificing effectiveness.
comment: there was an error with the figures and the algorithm, working on it to correct it, will publish with updated and correct algorithm and results
♻ ☆ Reliable Vertical Federated Learning in 5G Core Network Architecture
This work proposes a new algorithm to mitigate model generalization loss in Vertical Federated Learning (VFL) operating under client reliability constraints within 5G Core Networks (CNs). Recently studied and endorsed by 3GPP, VFL enables collaborative and load-balanced model training and inference across the CN. However, the performance of VFL significantly degrades when the Network Data Analytics Functions (NWDAFs) - which serve as primary clients for VFL model training and inference - experience reliability issues stemming from resource constraints and operational overhead. Unlike edge environments, CN environments adopt fundamentally different data management strategies, characterized by more centralized data orchestration capabilities. This presents opportunities to implement better distributed solutions that take full advantage of the CN data handling flexibility. Leveraging this flexibility, we propose a method that optimizes the vertical feature split among clients while centrally defining their local models based on reliability metrics. Our empirical evaluation demonstrates the effectiveness of our proposed algorithm, showing improved performance over traditional baseline methods.
comment: Globecom Submission
♻ ☆ SLR: An Automated Synthesis Framework for Scalable Logical Reasoning
We introduce SLR, an end-to-end framework for systematic evaluation and training of Large Language Models (LLMs) via Scalable Logical Reasoning. Given a user's task specification, SLR enables scalable, automated synthesis of inductive reasoning tasks with precisely controlled difficulty. For each task, SLR synthesizes (i) a latent ground-truth rule, (ii) an executable validation program used by a symbolic judge to deterministically verify model outputs, and (iii) an instruction prompt for the reasoning task. Using SLR, we create SLR-Bench, a benchmark comprising over 19k prompts spanning 20 curriculum levels that progressively increase in relational, arithmetic, and recursive complexity. Large-scale evaluation reveals that contemporary LLMs readily produce syntactically valid rules, yet often fail at correct logical inference. Recent reasoning LLMs do somewhat better, but incur substantial increases in test-time compute, sometimes exceeding 15k completion tokens. Finally, logic-tuning via SLR doubles Llama-3-8B accuracy on SLR-Bench, achieving parity with Gemini-Flash-Thinking at a fraction of computational cost. SLR is fully automated, requires no human annotation, ensures dataset novelty, and offers a scalable environment for probing and advancing LLMs' reasoning capabilities.
♻ ☆ Holistic Physics Solver: Learning PDEs in a Unified Spectral-Physical Space ICML2025
Recent advances in operator learning have produced two distinct approaches for solving partial differential equations (PDEs): attention-based methods offering point-level adaptability but lacking spectral constraints, and spectral-based methods providing domain-level continuity priors but limited in local flexibility. This dichotomy has hindered the development of PDE solvers with both strong flexibility and generalization capability. This work introduces Holistic Physics Mixer (HPM), a simple framework that bridges this gap by integrating spectral and physical information in a unified space. HPM unifies both approaches as special cases while enabling more powerful spectral-physical interactions beyond either method alone. This enables HPM to inherit both the strong generalization of spectral methods and the flexibility of attention mechanisms while avoiding their respective limitations. Through extensive experiments across diverse PDE problems, we demonstrate that HPM consistently outperforms state-of-the-art methods in both accuracy and computational efficiency, while maintaining strong generalization capabilities with limited training data and excellent zero-shot performance on unseen resolutions.
comment: ICML2025
♻ ☆ Persistent Sampling: Enhancing the Efficiency of Sequential Monte Carlo
Sequential Monte Carlo (SMC) samplers are powerful tools for Bayesian inference but suffer from high computational costs due to their reliance on large particle ensembles for accurate estimates. We introduce persistent sampling (PS), an extension of SMC that systematically retains and reuses particles from all prior iterations to construct a growing, weighted ensemble. By leveraging multiple importance sampling and resampling from a mixture of historical distributions, PS mitigates the need for excessively large particle counts, directly addressing key limitations of SMC such as particle impoverishment and mode collapse. Crucially, PS achieves this without additional likelihood evaluations-weights for persistent particles are computed using cached likelihood values. This framework not only yields more accurate posterior approximations but also produces marginal likelihood estimates with significantly lower variance, enhancing reliability in model comparison. Furthermore, the persistent ensemble enables efficient adaptation of transition kernels by leveraging a larger, decorrelated particle pool. Experiments on high-dimensional Gaussian mixtures, hierarchical models, and non-convex targets demonstrate that PS consistently outperforms standard SMC and related variants, including recycled and waste-free SMC, achieving substantial reductions in mean squared error for posterior expectations and evidence estimates, all at reduced computational cost. PS thus establishes itself as a robust, scalable, and efficient alternative for complex Bayesian inference tasks.
comment: 37 pages, 9 figures. Submitted to Statistics & Computing
♻ ☆ Recent Trends in Artificial Intelligence Technology: A Scoping Review
Artificial intelligence is more ubiquitous in multiple domains. Smartphones, social media platforms, search engines, and autonomous vehicles are just a few examples of applications that utilize artificial intelligence technologies to enhance their performance. This study carries out a scoping review of the current state-of-the-art artificial intelligence technologies following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) framework. The goal was to find the most advanced technologies used in different domains of artificial intelligence technology research. Three recognized journals were used from artificial intelligence and machine learning domain: Journal of Artificial Intelligence Research, Journal of Machine Learning Research, and Machine Learning, and articles published in 2022 were observed. Certain qualifications were laid for the technological solutions: the technology must be tested against comparable solutions, commonly approved or otherwise well justified datasets must be used while applying, and results must show improvements against comparable solutions. One of the most important parts of the technology development appeared to be how to process and exploit the data gathered from multiple sources. The data can be highly unstructured, and the technological solution should be able to utilize the data with minimum manual work from humans. The results of this review indicate that creating labeled datasets is very laborious, and solutions exploiting unsupervised or semi-supervised learning technologies are more and more researched. The learning algorithms should be able to be updated efficiently, and predictions should be interpretable. Using artificial intelligence technologies in real-world applications, safety and explainable predictions are mandatory to consider before mass adoption can occur.
♻ ☆ Factual Knowledge in Language Models: Robustness and Anomalies under Simple Temporal Context Variations ACL 2025
This paper explores the robustness of language models (LMs) to variations in the temporal context within factual knowledge. It examines whether LMs can correctly associate a temporal context with a past fact valid over a defined period, by asking them to differentiate correct from incorrect contexts. The LMs' ability to distinguish is analyzed along two dimensions: the distance of the incorrect context from the validity period and the granularity of the context. To this end, a dataset called TimeStress is introduced, enabling the evaluation of 18 diverse LMs. Results reveal that the best LM achieves a perfect distinction for only 11% of the studied facts, with errors, certainly rare, but critical that humans would not make. This work highlights the limitations of current LMs in temporal representation.
comment: preprint v6, accepted for publication at ACL 2025 - L2M2 Workshop
♻ ☆ DipLLM: Fine-Tuning LLM for Strategic Decision-making in Diplomacy ICML 2025
Diplomacy is a complex multiplayer game that requires both cooperation and competition, posing significant challenges for AI systems. Traditional methods rely on equilibrium search to generate extensive game data for training, which demands substantial computational resources. Large Language Models (LLMs) offer a promising alternative, leveraging pre-trained knowledge to achieve strong performance with relatively small-scale fine-tuning. However, applying LLMs to Diplomacy remains challenging due to the exponential growth of possible action combinations and the intricate strategic interactions among players. To address this challenge, we propose DipLLM, a fine-tuned LLM-based agent that learns equilibrium policies for Diplomacy. DipLLM employs an autoregressive factorization framework to simplify the complex task of multi-unit action assignment into a sequence of unit-level decisions. By defining an equilibrium policy within this framework as the learning objective, we fine-tune the model using only 1.5% of the data required by the state-of-the-art Cicero model, surpassing its performance. Our results demonstrate the potential of fine-tuned LLMs for tackling complex strategic decision-making in multiplayer games.
comment: Accepted to the 42nd International Conference on Machine Learning (ICML 2025)
♻ ☆ Global Context-aware Representation Learning for Spatially Resolved Transcriptomics ICML 2025
Spatially Resolved Transcriptomics (SRT) is a cutting-edge technique that captures the spatial context of cells within tissues, enabling the study of complex biological networks. Recent graph-based methods leverage both gene expression and spatial information to identify relevant spatial domains. However, these approaches fall short in obtaining meaningful spot representations, especially for spots near spatial domain boundaries, as they heavily emphasize adjacent spots that have minimal feature differences from an anchor node. To address this, we propose Spotscape, a novel framework that introduces the Similarity Telescope module to capture global relationships between multiple spots. Additionally, we propose a similarity scaling strategy to regulate the distances between intra- and inter-slice spots, facilitating effective multi-slice integration. Extensive experiments demonstrate the superiority of Spotscape in various downstream tasks, including single-slice and multi-slice scenarios. Our code is available at the following link: https: //github.com/yunhak0/Spotscape.
comment: ICML 2025
♻ ☆ A Survey on Large Language Model based Human-Agent Systems
Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. These human-agent collaboration systems enable humans and LLM-based agents to collaborate effectively by leveraging their complementary strengths. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities arising from human-AI collaboration. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems.
comment: Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems
♻ ☆ Do Concept Bottleneck Models Respect Localities?
Concept-based explainability methods use human-understandable intermediaries to produce explanations for machine learning models. These methods assume concept predictions can help understand a model's internal reasoning. In this work, we assess the degree to which such an assumption is true by analyzing whether concept predictors leverage ``relevant'' features to make predictions, a term we call locality. Concept-based models that fail to respect localities also fail to be explainable because concept predictions are based on spurious features, making the interpretation of the concept predictions vacuous. To assess whether concept-based models respect localities, we construct and use three metrics to characterize when models respect localities, complementing our analysis with theoretical results. Each of our metrics captures a different notion of perturbation and assess whether perturbing ``irrelevant'' features impacts the predictions made by a concept predictors. We find that many concept-based models used in practice fail to respect localities because concept predictors cannot always clearly distinguish distinct concepts. Based on these findings, we propose suggestions for alleviating this issue.
comment: Published at TMLR
♻ ☆ RePST: Language Model Empowered Spatio-Temporal Forecasting via Semantic-Oriented Reprogramming
Spatio-temporal forecasting is pivotal in numerous real-world applications, including transportation planning, energy management, and climate monitoring. In this work, we aim to harness the reasoning and generalization abilities of Pre-trained Language Models (PLMs) for more effective spatio-temporal forecasting, particularly in data-scarce scenarios. However, recent studies uncover that PLMs, which are primarily trained on textual data, often falter when tasked with modeling the intricate correlations in numerical time series, thereby limiting their effectiveness in comprehending spatio-temporal data. To bridge the gap, we propose RePST, a semantic-oriented PLM reprogramming framework tailored for spatio-temporal forecasting. Specifically, we first propose a semantic-oriented decomposer that adaptively disentangles spatially correlated time series into interpretable sub-components, which facilitates PLM to understand sophisticated spatio-temporal dynamics via a divide-and-conquer strategy. Moreover, we propose a selective discrete reprogramming scheme, which introduces an expanded spatio-temporal vocabulary space to project spatio-temporal series into discrete representations. This scheme minimizes the information loss during reprogramming and enriches the representations derived by PLMs. Extensive experiments on real-world datasets show that the proposed RePST outperforms twelve state-of-the-art baseline methods, particularly in data-scarce scenarios, highlighting the effectiveness and superior generalization capabilities of PLMs for spatio-temporal forecasting. Our codes can be found at https://github.com/usail-hkust/REPST.
♻ ☆ Identifying Heterogeneity in Distributed Learning
We study methods for identifying heterogeneous parameter components in distributed M-estimation with minimal data transmission. One is based on a re-normalized Wald test, which is shown to be consistent as long as the number of distributed data blocks $K$ is of a smaller order of the minimum block sample size {and the level of heterogeneity is dense}. The second one is an extreme contrast test (ECT) based on the difference between the largest and smallest component-wise estimated parameters among data blocks. By introducing a sample splitting procedure, the ECT can avoid the bias accumulation arising from the M-estimation procedures, and exhibits consistency for $K$ being much larger than the sample size while the heterogeneity is sparse. The ECT procedure is easy to operate and communication-efficient. A combination of the Wald and the extreme contrast tests is formulated to attain more robust power under varying levels of sparsity of the heterogeneity. We also conduct intensive numerical experiments to compare the family-wise error rate (FWER) and the power of the proposed methods. Additionally, we conduct a case study to present the implementation and validity of the proposed methods.
♻ ☆ Bohdi: Heterogeneous LLM Fusion with Automatic Data Exploration
Heterogeneous Large Language Model (LLM) fusion integrates the strengths of multiple source LLMs with different architectures into a target LLM with low computational overhead. While promising, existing methods suffer from two major limitations: 1) reliance on real data from limited domain for knowledge fusion, preventing the target LLM from fully acquiring knowledge across diverse domains, and 2) fixed data allocation proportions across domains, failing to dynamically adjust according to the target LLM's varying capabilities across domains, leading to a capability imbalance. To overcome these limitations, we propose Bohdi, a synthetic-data-only heterogeneous LLM fusion framework. Through the organization of knowledge domains into a hierarchical tree structure, Bohdi enables automatic domain exploration and multi-domain data generation through multi-model collaboration, thereby comprehensively extracting knowledge from source LLMs. By formalizing domain expansion and data sampling proportion allocation on the knowledge tree as a Hierarchical Multi-Armed Bandit problem, Bohdi leverages the designed DynaBranches mechanism to adaptively adjust sampling proportions based on the target LLM's performance feedback across domains. Integrated with our proposed Introspection-Rebirth (IR) mechanism, DynaBranches dynamically tracks capability shifts during target LLM's updates via Sliding Window Binomial Likelihood Ratio Testing (SWBLRT), further enhancing its online adaptation capability. Comparative experimental results on a comprehensive suite of benchmarks demonstrate that Bohdi significantly outperforms existing baselines on multiple target LLMs, exhibits higher data efficiency, and virtually eliminates the imbalance in the target LLM's capabilities. Our code is available at https://github.com/gjq100/Bohdi.git.
♻ ☆ LoopSR: Looping Sim-and-Real for Lifelong Policy Adaptation of Legged Robots
Reinforcement Learning (RL) has shown its remarkable and generalizable capability in legged locomotion through sim-to-real transfer. However, while adaptive methods like domain randomization are expected to enhance policy robustness across diverse environments, they potentially compromise the policy's performance in any specific environment, leading to suboptimal real-world deployment due to the No Free Lunch theorem. To address this, we propose LoopSR, a lifelong policy adaptation framework that continuously refines RL policies in the post-deployment stage. LoopSR employs a transformer-based encoder to map real-world trajectories into a latent space and reconstruct a digital twin of the real world for further improvement. Autoencoder architecture and contrastive learning methods are adopted to enhance feature extraction of real-world dynamics. Simulation parameters for continual training are derived by combining predicted values from the decoder with retrieved parameters from a pre-collected simulation trajectory dataset. By leveraging simulated continual training, LoopSR achieves superior data efficiency compared with strong baselines, yielding eminent performance with limited data in both sim-to-sim and sim-to-real experiments.
comment: IROS 2025
♻ ☆ A Transformer-Based Approach for Diagnosing Fault Cases in Optical Fiber Amplifiers
A transformer-based deep learning approach is presented that enables the diagnosis of fault cases in optical fiber amplifiers using condition-based monitoring time series data. The model, Inverse Triple-Aspect Self-Attention Transformer (ITST), uses an encoder-decoder architecture, utilizing three feature extraction paths in the encoder, feature-engineered data for the decoder and a self-attention mechanism. The results show that ITST outperforms state-of-the-art models in terms of classification accuracy, which enables predictive maintenance for optical fiber amplifiers, reducing network downtimes and maintenance costs.
comment: This paper has been accepted for publication at the 25th International Conference on Transparent Optical Networks (ICTON) 2025
♻ ☆ Collaborative Mean Estimation Among Heterogeneous Strategic Agents: Individual Rationality, Fairness, and Truthful Contribution ICML 2025
We study a collaborative learning problem where $m$ agents aim to estimate a vector $\mu =(\mu_1,\ldots,\mu_d)\in \mathbb{R}^d$ by sampling from associated univariate normal distributions $\{\mathcal{N}(\mu_k, \sigma^2)\}_{k\in[d]}$. Agent $i$ incurs a cost $c_{i,k}$ to sample from $\mathcal{N}(\mu_k, \sigma^2)$. Instead of working independently, agents can exchange data, collecting cheaper samples and sharing them in return for costly data, thereby reducing both costs and estimation error. We design a mechanism to facilitate such collaboration, while addressing two key challenges: ensuring individually rational (IR) and fair outcomes so all agents benefit, and preventing strategic behavior (e.g. non-collection, data fabrication) to avoid socially undesirable outcomes. We design a mechanism and an associated Nash equilibrium (NE) which minimizes the social penalty-sum of agents' estimation errors and collection costs-while being IR for all agents. We achieve a $\mathcal{O}(\sqrt{m})$-approximation to the minimum social penalty in the worst case and an $\mathcal{O}(1)$-approximation under favorable conditions. Additionally, we establish three hardness results: no nontrivial mechanism guarantees (i) a dominant strategy equilibrium where agents report truthfully, (ii) is IR for every strategy profile of other agents, (iii) or avoids a worst-case $\Omega(\sqrt{m})$ price of stability in any NE. Finally, by integrating concepts from axiomatic bargaining, we demonstrate that our mechanism supports fairer outcomes than one which minimizes social penalty.
comment: ICML 2025
♻ ☆ Interpretation of Deep Learning Model in Embryo Selection for In Vitro Fertilization (IVF) Treatment
Infertility has a considerable impact on individuals' quality of life, affecting them socially and psychologically, with projections indicating a rise in the upcoming years. In vitro fertilization (IVF) emerges as one of the primary techniques within economically developed nations, employed to address the rising problem of low fertility. Expert embryologists conventionally grade embryos by reviewing blastocyst images to select the most optimal for transfer, yet this process is time-consuming and lacks efficiency. Blastocyst images provide a valuable resource for assessing embryo viability. In this study, we introduce an explainable artificial intelligence (XAI) framework for classifying embryos, employing a fusion of convolutional neural network (CNN) and long short-term memory (LSTM) architecture, referred to as CNN-LSTM. Utilizing deep learning, our model achieves high accuracy in embryo classification while maintaining interpretability through XAI.
♻ ☆ AFBS:Buffer Gradient Selection in Semi-asynchronous Federated Learning
Asynchronous federated learning (AFL) accelerates training by eliminating the need to wait for stragglers, but its asynchronous nature introduces gradient staleness, where outdated gradients degrade performance. Existing solutions address this issue with gradient buffers, forming a semi-asynchronous framework. However, this approach struggles when buffers accumulate numerous stale gradients, as blindly aggregating all gradients can harm training. To address this, we propose AFBS (Asynchronous FL Buffer Selection), the first algorithm to perform gradient selection within buffers while ensuring privacy protection. Specifically, the client sends the random projection encrypted label distribution matrix before training, and the server performs client clustering based on it. During training, server scores and selects gradients within each cluster based on their informational value, discarding low-value gradients to enhance semi-asynchronous federated learning. Extensive experiments in highly heterogeneous system and data environments demonstrate AFBS's superior performance compared to state-of-the-art methods. Notably, on the most challenging task, CIFAR-100, AFBS improves accuracy by up to 4.8% over the previous best algorithm and reduces the time to reach target accuracy by 75%.
♻ ☆ LoRA vs Full Fine-tuning: An Illusion of Equivalence
Fine-tuning is a crucial paradigm for adapting pre-trained large language models to downstream tasks. Recently, methods like Low-Rank Adaptation (LoRA) have been shown to effectively fine-tune LLMs with an extreme reduction in trainable parameters. But, \emph{are their learned solutions really equivalent?} We study how LoRA and full-finetuning change pre-trained models by analyzing the model's weight matrices through the lens of their spectral properties. We find that LoRA and full fine-tuning yield weight matrices whose singular value decompositions exhibit very different structure: weight matrices trained with LoRA have new, high-ranking singular vectors, which we call \emph{intruder dimensions}, while those trained with full fine-tuning do not. Further, we extend the finding that LoRA forgets less than full fine-tuning and find its forgetting is vastly localized to the intruder dimension -- by causally intervening on the intruder dimensions by changing their associated singular values post-fine-tuning, we show that they cause forgetting. Moreover, scaling them down significantly improves modeling of the pre-training distribution with a minimal drop in downstream task performance. Given this, we should expect accumulating intruder dimensions to be harmful and lead to more forgetting. This will be amplified during continual learning because of sequentially fine-tuning, and we show that LoRA models do accumulate intruder dimensions here tend to perform worse in this setting, emphasizing the practicality of our findings.
♻ ☆ Hallucination Level of Artificial Intelligence Whisperer: Case Speech Recognizing Pantterinousut Rap Song
All languages are peculiar. Some of them are considered more challenging to understand than others. The Finnish Language is known to be a complex language. Also, when languages are used by artists, the pronunciation and meaning might be more tricky to understand. Therefore, we are putting AI to a fun, yet challenging trial: translating a Finnish rap song to text. We will compare the Faster Whisperer algorithm and YouTube's internal speech-to-text functionality. The reference truth will be Finnish rap lyrics, which the main author's little brother, Mc Timo, has written. Transcribing the lyrics will be challenging because the artist raps over synth music player by Syntikka Janne. The hallucination level and mishearing of AI speech-to-text extractions will be measured by comparing errors made against the original Finnish lyrics. The error function is informal but still works for our case.
comment: 15 pages, 10 figures
♻ ☆ Fast Rate Information-theoretic Bounds on Generalization Errors
The generalization error of a learning algorithm refers to the discrepancy between the loss of a learning algorithm on training data and that on unseen testing data. Various information-theoretic bounds on the generalization error have been derived in the literature, where the mutual information between the training data and the hypothesis (the output of the learning algorithm) plays an important role. Focusing on the individual sample mutual information bound by Bu et al., which itself is a tightened version of the first bound on the topic by Russo et al. and Xu et al., this paper investigates the tightness of these bounds, in terms of the dependence of their convergence rates on the sample size $n$. It has been recognized that these bounds are in general not tight, readily verified for the exemplary quadratic Gaussian mean estimation problem, where the individual sample mutual information bound scales as $O(\sqrt{1/n})$ while the true generalization error scales as $O(1/n)$. The first contribution of this paper is to show that the same bound can in fact be asymptotically tight if an appropriate assumption is made. In particular, we show that the fast rate can be recovered when the assumption is made on the excess risk instead of the loss function, which was usually done in existing literature. A theoretical justification is given for this choice. The second contribution of the paper is a new set of generalization error bounds based on the $(\eta, c)$-central condition, a condition relatively easy to verify and has the property that the mutual information term directly determines the convergence rate of the bound. Several analytical and numerical examples are given to show the effectiveness of these bounds.
comment: 27 pages, 1 figure, accepted to TIT
♻ ☆ When Large Language Models Meet Vector Databases: A Survey
This survey explores the synergistic potential of Large Language Models (LLMs) and Vector Databases (VecDBs), a burgeoning but rapidly evolving research area. With the proliferation of LLMs comes a host of challenges, including hallucinations, outdated knowledge, prohibitive commercial application costs, and memory issues. VecDBs emerge as a compelling solution to these issues by offering an efficient means to store, retrieve, and manage the high-dimensional vector representations intrinsic to LLM operations. Through this nuanced review, we delineate the foundational principles of LLMs and VecDBs and critically analyze their integration's impact on enhancing LLM functionalities. This discourse extends into a discussion on the speculative future developments in this domain, aiming to catalyze further research into optimizing the confluence of LLMs and VecDBs for advanced data handling and knowledge extraction capabilities.
♻ ☆ Evolutionary Optimization of Physics-Informed Neural Networks: Evo-PINN Frontiers and Opportunities
Deep learning models trained on finite data lack a complete understanding of the physical world. On the other hand, physics-informed neural networks (PINNs) are infused with such knowledge through the incorporation of mathematically expressible laws of nature into their training loss function. By complying with physical laws, PINNs provide advantages over purely data-driven models in limited-data regimes and present as a promising route towards Physical AI. This feature has propelled them to the forefront of scientific machine learning, a domain characterized by scarce and costly data. However, the vision of accurate physics-informed learning comes with significant challenges. This work examines PINNs for the first time in terms of model optimization and generalization, shedding light on the need for new algorithmic advances to overcome issues pertaining to the training speed, precision, and generalizability of today's PINN models. Of particular interest are gradient-free evolutionary algorithms (EAs) for optimizing the uniquely complex loss landscapes arising in PINN training. Methods synergizing gradient descent and EAs for discovering bespoke neural architectures and balancing multiple terms in physics-informed learning objectives are positioned as important avenues for future research. Another exciting track is to cast evolutionary as a meta-learner of generalizable PINN models. To substantiate these proposed avenues, we further highlight results from recent literature to showcase the early success of such approaches in addressing the aforementioned challenges in PINN optimization and generalization.
comment: 22 pages, 10 figures, 1 table
♻ ☆ FutureFill: Fast Generation from Convolutional Sequence Models
We address the challenge of efficient auto-regressive generation in sequence prediction models by introducing FutureFill, a general-purpose fast generation method for any sequence prediction algorithm based on convolutional operators. FutureFill reduces generation time from quadratic to quasilinear in the context length. Moreover, when generating from a prompt, it requires a prefill cache whose size grows only with the number of tokens to be generated, often much smaller than the caches required by standard convolutional or attention based models. We validate our theoretical claims with experiments on synthetic tasks and demonstrate substantial efficiency gains when generating from a deep convolutional sequence prediction model.
♻ ☆ AdaLRS: Loss-Guided Adaptive Learning Rate Search for Efficient Foundation Model Pretraining
Learning rate is widely regarded as crucial for effective foundation model pretraining. Recent research explores and demonstrates the transferability of learning rate configurations across varying model and dataset sizes, etc. Nevertheless, these approaches are constrained to specific training scenarios and typically necessitate extensive hyperparameter tuning on proxy models. In this work, we propose \textbf{AdaLRS}, a plug-in-and-play adaptive learning rate search algorithm that conducts online optimal learning rate search via optimizing loss descent velocities. We provide experiment results to show that the optimization of training loss and loss descent velocity in foundation model pretraining are both convex and share the same optimal learning rate. Relying solely on training loss dynamics, AdaLRS involves few extra computations to guide the search process, and its convergence is guaranteed via theoretical analysis. Experiments on both LLM and VLM pretraining show that AdaLRS adjusts suboptimal learning rates to the neighborhood of optimum with marked efficiency and effectiveness, with model performance improved accordingly. We also show the robust generalizability of AdaLRS across varying training scenarios, such as different model sizes, training paradigms, and base learning rate scheduler choices.
♻ ☆ MGHF: Multi-Granular High-Frequency Perceptual Loss for Image Super-Resolution
While different variants of perceptual losses have been employed in super-resolution literature to synthesize more realistic, appealing, and detailed high-resolution images, most are convolutional neural networks-based, causing information loss during guidance and often relying on complicated architectures and training procedures. We propose an invertible neural network (INN)-based naive \textbf{M}ulti-\textbf{G}ranular \textbf{H}igh-\textbf{F}requency (MGHF-n) perceptual loss trained on ImageNet to overcome these issues. Furthermore, we develop a comprehensive framework (MGHF-c) with several constraints to preserve, prioritize, and regularize information across multiple perspectives: texture and style preservation, content preservation, regional detail preservation, and joint content-style regularization. Information is prioritized through adaptive entropy-based pruning and reweighting of INN features. We utilize Gram matrix loss for style preservation and mean-squared error loss for content preservation. Additionally, we propose content-style consistency through correlation loss to regulate unnecessary texture generation while preserving content information. Since small image regions may contain intricate details, we employ modulated PatchNCE in the INN features as a local information preservation objective. Extensive experiments on various super-resolution algorithms, including GAN- and diffusion-based methods, demonstrate that our MGHF framework significantly improves performance. After the review process, our code will be released in the public repository.
comment: 14 pages
♻ ☆ DSAC-C: Constrained Maximum Entropy for Robust Discrete Soft-Actor Critic
We present a novel extension to the family of Soft Actor-Critic (SAC) algorithms. We argue that based on the Maximum Entropy Principle, discrete SAC can be further improved via additional statistical constraints derived from a surrogate critic policy. Furthermore, our findings suggests that these constraints provide an added robustness against potential domain shifts, which are essential for safe deployment of reinforcement learning agents in the real-world. We provide theoretical analysis and show empirical results on low data regimes for both in-distribution and out-of-distribution variants of Atari 2600 games.
comment: Accepted by IJCNN'25
♻ ☆ VRAIL: Vectorized Reward-based Attribution for Interpretable Learning
We propose VRAIL (Vectorized Reward-based Attribution for Interpretable Learning), a bi-level framework for value-based reinforcement learning (RL) that learns interpretable weight representations from state features. VRAIL consists of two stages: a deep learning (DL) stage that fits an estimated value function using state features, and an RL stage that uses this to shape learning via potential-based reward transformations. The estimator is modeled in either linear or quadratic form, allowing attribution of importance to individual features and their interactions. Empirical results on the Taxi-v3 environment demonstrate that VRAIL improves training stability and convergence compared to standard DQN, without requiring environment modifications. Further analysis shows that VRAIL uncovers semantically meaningful subgoals, such as passenger possession, highlighting its ability to produce human-interpretable behavior. Our findings suggest that VRAIL serves as a general, model-agnostic framework for reward shaping that enhances both learning and interpretability.
♻ ☆ Uncertainty-aware Efficient Subgraph Isomorphism using Graph Topology
Subgraph isomorphism, also known as subgraph matching, is typically regarded as an NP-complete problem. This complexity is further compounded in practical applications where edge weights are real-valued and may be affected by measurement noise and potential missing data. Such graph matching routinely arises in applications such as image matching and map matching. Most subgraph matching methods fail to perform node-to-node matching under presence of such corruptions. We propose a method for identifying the node correspondence between a subgraph and a full graph in the inexact case without node labels in two steps - (a) extract the minimal unique topology preserving subset from the subgraph and find its feasible matching in the full graph, and (b) implement a consensus-based algorithm to expand the matched node set by pairing unique paths based on boundary commutativity. To demonstrate the effectiveness of the proposed method, a simulation is performed on the Erdos-Renyi random graphs and two case studies are performed on the image-based affine covariant features dataset and KITTI stereo dataset respectively. Going beyond the existing subgraph matching approaches, the proposed method is shown to have realistically sub-linear computational efficiency, robustness to random measurement noise, and good statistical properties. Our method is also readily applicable to the exact matching case without loss of generality.
♻ ☆ LLM Web Dynamics: Tracing Model Collapse in a Network of LLMs
The increasing use of synthetic data from the public Internet has enhanced data usage efficiency in large language model (LLM) training. However, the potential threat of model collapse remains insufficiently explored. Existing studies primarily examine model collapse in a single model setting or rely solely on statistical surrogates. In this work, we introduce LLM Web Dynamics (LWD), an efficient framework for investigating model collapse at the network level. By simulating the Internet with a retrieval-augmented generation (RAG) database, we analyze the convergence pattern of model outputs. Furthermore, we provide theoretical guarantees for this convergence by drawing an analogy to interacting Gaussian Mixture Models.
♻ ☆ ASGO: Adaptive Structured Gradient Optimization
Training deep neural networks is a structured optimization problem, because the parameters are naturally represented by matrices and tensors rather than by vectors. Under this structural representation, it has been widely observed that gradients are low-rank and Hessians are approximately block-wise diagonal. These structured properties are crucial for designing efficient optimization algorithms, but are not utilized by many current popular optimizers like Adam. In this paper, we present a novel optimization algorithm ASGO that capitalizes on these properties by employing a preconditioner that is adaptively updated using structured gradients. By fine-grained theoretical analysis, ASGO is proven to achieve superior convergence rates compared to existing structured gradient methods. Based on the convergence theory, we further demonstrate that ASGO can benefit from the low-rank and block-wise diagonal properties. We also discuss practical modifications of ASGO and empirically verify ASGO's effectiveness on language model tasks.
comment: 30 pages
♻ ☆ Symmetric Reinforcement Learning Loss for Robust Learning on Diverse Tasks and Model Scales
Reinforcement learning (RL) training is inherently unstable due to factors such as moving targets and high gradient variance. Reinforcement Learning from Human Feedback (RLHF) and Reinforcement Learning from AI Feedback (RLAIF) can introduce additional difficulty. Differing preferences can complicate the alignment process, and prediction errors in a trained reward model can become more severe as the LLM generates unseen outputs. To enhance training robustness, RL has adopted techniques from supervised learning, such as ensembles and layer normalization. In this work, we improve the stability of RL training by adapting the reverse cross entropy (RCE) from supervised learning for noisy data to define a symmetric RL loss. We demonstrate performance improvements across various tasks and scales. We conduct experiments in discrete action tasks (Atari games) and continuous action space tasks (MuJoCo benchmark and Box2D) using Symmetric A2C (SA2C) and Symmetric PPO (SPPO), with and without added noise with especially notable performance in SPPO across different hyperparameters. Furthermore, we validate the benefits of the symmetric RL loss when using SPPO for large language models through improved performance in RLHF tasks, such as IMDB positive sentiment sentiment and TL;DR summarization tasks.
♻ ☆ Cost-Aware Routing for Efficient Text-To-Image Generation
Diffusion models are well known for their ability to generate a high-fidelity image for an input prompt through an iterative denoising process. Unfortunately, the high fidelity also comes at a high computational cost due the inherently sequential generative process. In this work, we seek to optimally balance quality and computational cost, and propose a framework to allow the amount of computation to vary for each prompt, depending on its complexity. Each prompt is automatically routed to the most appropriate text-to-image generation function, which may correspond to a distinct number of denoising steps of a diffusion model, or a disparate, independent text-to-image model. Unlike uniform cost reduction techniques (e.g., distillation, model quantization), our approach achieves the optimal trade-off by learning to reserve expensive choices (e.g., 100+ denoising steps) only for a few complex prompts, and employ more economical choices (e.g., small distilled model) for less sophisticated prompts. We empirically demonstrate on COCO and DiffusionDB that by learning to route to nine already-trained text-to-image models, our approach is able to deliver an average quality that is higher than that achievable by any of these models alone.
♻ ☆ Distributionally Robust Active Learning for Gaussian Process Regression ICML2025
Gaussian process regression (GPR) or kernel ridge regression is a widely used and powerful tool for nonlinear prediction. Therefore, active learning (AL) for GPR, which actively collects data labels to achieve an accurate prediction with fewer data labels, is an important problem. However, existing AL methods do not theoretically guarantee prediction accuracy for target distribution. Furthermore, as discussed in the distributionally robust learning literature, specifying the target distribution is often difficult. Thus, this paper proposes two AL methods that effectively reduce the worst-case expected error for GPR, which is the worst-case expectation in target distribution candidates. We show an upper bound of the worst-case expected squared error, which suggests that the error will be arbitrarily small by a finite number of data labels under mild conditions. Finally, we demonstrate the effectiveness of the proposed methods through synthetic and real-world datasets.
comment: 26 pages, 3 figures, Accepted to ICML2025
♻ ☆ Transferring Features Across Language Models With Model Stitching
In this work, we demonstrate that affine mappings between residual streams of language models is a cheap way to effectively transfer represented features between models. We apply this technique to transfer the weights of Sparse Autoencoders (SAEs) between models of different sizes to compare their representations. We find that small and large models learn similar representation spaces, which motivates training expensive components like SAEs on a smaller model and transferring to a larger model at a FLOPs savings. In particular, using a small-to-large transferred SAE as initialization can lead to 50% cheaper training runs when training SAEs on larger models. Next, we show that transferred probes and steering vectors can effectively recover ground truth performance. Finally, we dive deeper into feature-level transferability, finding that semantic and structural features transfer noticeably differently while specific classes of functional features have their roles faithfully mapped. Overall, our findings illustrate similarities and differences in the linear representation spaces of small and large models and demonstrate a method for improving the training efficiency of SAEs.
♻ ☆ Align and Distill: Unifying and Improving Domain Adaptive Object Detection
Object detectors often perform poorly on data that differs from their training set. Domain adaptive object detection (DAOD) methods have recently demonstrated strong results on addressing this challenge. Unfortunately, we identify systemic benchmarking pitfalls that call past results into question and hamper further progress: (a) Overestimation of performance due to underpowered baselines, (b) Inconsistent implementation practices preventing transparent comparisons of methods, and (c) Lack of generality due to outdated backbones and lack of diversity in benchmarks. We address these problems by introducing: (1) A unified benchmarking and implementation framework, Align and Distill (ALDI), enabling comparison of DAOD methods and supporting future development, (2) A fair and modern training and evaluation protocol for DAOD that addresses benchmarking pitfalls, (3) A new DAOD benchmark dataset, CFC-DAOD, enabling evaluation on diverse real-world data, and (4) A new method, ALDI++, that achieves state-of-the-art results by a large margin. ALDI++ outperforms the previous state-of-the-art by +3.5 AP50 on Cityscapes to Foggy Cityscapes, +5.7 AP50 on Sim10k to Cityscapes (where ours is the only method to outperform a fair baseline), and +0.6 AP50 on CFC Kenai to Channel. ALDI and ALDI++ are architecture-agnostic, setting a new state-of-the-art for YOLO and DETR-based DAOD as well without additional hyperparameter tuning. Our framework, dataset, and state-of-the-art method offer a critical reset for DAOD and provide a strong foundation for future research. Code and data are available: https://github.com/justinkay/aldi and https://github.com/visipedia/caltech-fish-counting.
comment: TMLR camera ready (Featured Certification). 33 pages, 15 figures
♻ ☆ Machines and Mathematical Mutations: Using GNNs to Characterize Quiver Mutation Classes ICML 2025
Machine learning is becoming an increasingly valuable tool in mathematics, enabling one to identify subtle patterns across collections of examples so vast that they would be impossible for a single researcher to feasibly review and analyze. In this work, we use graph neural networks to investigate \emph{quiver mutation} -- an operation that transforms one quiver (or directed multigraph) into another -- which is central to the theory of cluster algebras with deep connections to geometry, topology, and physics. In the study of cluster algebras, the question of \emph{mutation equivalence} is of fundamental concern: given two quivers, can one efficiently determine if one quiver can be transformed into the other through a sequence of mutations? In this paper, we use graph neural networks and AI explainability techniques to independently discover mutation equivalence criteria for quivers of type $\tilde{D}$. Along the way, we also show that even without explicit training to do so, our model captures structure within its hidden representation that allows us to reconstruct known criteria from type $D$, adding to the growing evidence that modern machine learning models are capable of learning abstract and parsimonious rules from mathematical data.
comment: ICML 2025
♻ ☆ The Gittins Index: A Design Principle for Decision-Making Under Uncertainty
The Gittins index is a tool that optimally solves a variety of decision-making problems involving uncertainty, including multi-armed bandit problems, minimizing mean latency in queues, and search problems like the Pandora's box model. However, despite the above examples and later extensions thereof, the space of problems that the Gittins index can solve perfectly optimally is limited, and its definition is rather subtle compared to those of other multi-armed bandit algorithms. As a result, the Gittins index is often regarded as being primarily a concept of theoretical importance, rather than a practical tool for solving decision-making problems. The aim of this tutorial is to demonstrate that the Gittins index can be fruitfully applied to practical problems. We start by giving an example-driven introduction to the Gittins index, then walk through several examples of problems it solves - some optimally, some suboptimally but still with excellent performance. Two practical highlights in the latter category are applying the Gittins index to Bayesian optimization, and applying the Gittins index to minimizing tail latency in queues.
♻ ☆ Learning Realistic Joint Space Boundaries for Range of Motion Analysis of Healthy and Impaired Human Arms
A realistic human kinematic model that satisfies anatomical constraints is essential for human-robot interaction, biomechanics and robot-assisted rehabilitation. Modeling realistic joint constraints, however, is challenging as human arm motion is constrained by joint limits, inter- and intra-joint dependencies, self-collisions, individual capabilities and muscular or neurological constraints which are difficult to represent. Hence, physicians and researchers have relied on simple box-constraints, ignoring important anatomical factors. In this paper, we propose a data-driven method to learn realistic anatomically constrained upper-limb range of motion (RoM) boundaries from motion capture data. This is achieved by fitting a one-class support vector machine to a dataset of upper-limb joint space exploration motions with an efficient hyper-parameter tuning scheme. Our approach outperforms similar works focused on valid RoM learning. Further, we propose an impairment index (II) metric that offers a quantitative assessment of capability/impairment when comparing healthy and impaired arms. We validate the metric on healthy subjects physically constrained to emulate hemiplegia and different disability levels as stroke patients. [https://sites.google.com/seas.upenn.edu/learning-rom]
♻ ☆ ProxSparse: Regularized Learning of Semi-Structured Sparsity Masks for Pretrained LLMs ICML25
Large Language Models (LLMs) have demonstrated exceptional performance in natural language processing tasks, yet their massive size makes serving them inefficient and costly. Semi-structured pruning has emerged as an effective method for model acceleration, but existing approaches are suboptimal because they focus on local, layer-wise optimizations using heuristic rules, failing to leverage global feedback. We present ProxSparse, a learning-based framework for mask selection enabled by regularized optimization. ProxSparse transforms the rigid, non-differentiable mask selection process into a smoother optimization procedure, allowing gradual mask exploration with flexibility. ProxSparse does not involve additional weight updates once the mask is determined. Our extensive evaluations on 7 widely used models show that ProxSparse consistently outperforms previously proposed semi-structured mask selection methods with significant improvement, demonstrating the effectiveness of our learned approach towards semi-structured pruning.
comment: ICML25
♻ ☆ Time-IMM: A Dataset and Benchmark for Irregular Multimodal Multivariate Time Series
Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at https://www.kaggle.com/datasets/blacksnail789521/time-imm/data, and the benchmark library can be accessed at https://anonymous.4open.science/r/IMMTSF_NeurIPS2025.
comment: This paper is currently under review
♻ ☆ ADVLLM: Iterative Self-Tuning LLMs for Enhanced Jailbreaking Capabilities NAACL 2025
Recent research has shown that Large Language Models (LLMs) are vulnerable to automated jailbreak attacks, where adversarial suffixes crafted by algorithms appended to harmful queries bypass safety alignment and trigger unintended responses. Current methods for generating these suffixes are computationally expensive and have low Attack Success Rates (ASR), especially against well-aligned models like Llama2 and Llama3. To overcome these limitations, we introduce ADV-LLM, an iterative self-tuning process that crafts adversarial LLMs with enhanced jailbreak ability. Our framework significantly reduces the computational cost of generating adversarial suffixes while achieving nearly 100\% ASR on various open-source LLMs. Moreover, it exhibits strong attack transferability to closed-source models, achieving 99\% ASR on GPT-3.5 and 49\% ASR on GPT-4, despite being optimized solely on Llama3. Beyond improving jailbreak ability, ADV-LLM provides valuable insights for future safety alignment research through its ability to generate large datasets for studying LLM safety.
comment: Accepted to NAACL 2025 Main (oral)
♻ ☆ Code Graph Model (CGM): A Graph-Integrated Large Language Model for Repository-Level Software Engineering Tasks
Recent advances in Large Language Models (LLMs) have shown promise in function-level code generation, yet repository-level software engineering tasks remain challenging. Current solutions predominantly rely on proprietary LLM agents, which introduce unpredictability and limit accessibility, raising concerns about data privacy and model customization. This paper investigates whether open-source LLMs can effectively address repository-level tasks without requiring agent-based approaches. We demonstrate this is possible by enabling LLMs to comprehend functions and files within codebases through their semantic information and structural dependencies. To this end, we introduce Code Graph Models (CGMs), which integrate repository code graph structures into the LLM's attention mechanism and map node attributes to the LLM's input space using a specialized adapter. When combined with an agentless graph RAG framework, our approach achieves a 43.00% resolution rate on the SWE-bench Lite benchmark using the open-source Qwen2.5-72B model. This performance ranks first among open weight models, second among methods with open-source systems, and eighth overall, surpassing the previous best open-source model-based method by 12.33%.
comment: 35 pages, 10 figures
♻ ☆ Learning from Stochastic Teacher Representations Using Student-Guided Knowledge Distillation
Advances in self-distillation have shown that when knowledge is distilled from a teacher to a student using the same deep learning (DL) architecture, the student performance can surpass the teacher particularly when the network is overparameterized and the teacher is trained with early stopping. Alternatively, ensemble learning also improves performance, although training, storing, and deploying multiple models becomes impractical as the number of models grows. Even distilling an ensemble to a single student model or weight averaging methods first requires training of multiple teacher models and does not fully leverage the inherent stochasticity for generating and distilling diversity in DL models. These constraints are particularly prohibitive in resource-constrained or latency-sensitive applications such as wearable devices. This paper proposes to train only one model and generate multiple diverse teacher representations using distillation-time dropout. However, generating these representations stochastically leads to noisy representations that are misaligned with the learned task. To overcome this problem, a novel stochastic self-distillation (SSD) training strategy is introduced for filtering and weighting teacher representation to distill from task-relevant representations only, using student-guided knowledge distillation (SGKD). The student representation at each distillation step is used as authority to guide the distillation process. Experimental results on real-world affective computing, wearable/biosignal datasets from the UCR Archive, the HAR dataset, and image classification datasets show that the proposed SSD method can outperform state-of-the-art methods without increasing the model size at both training and testing time, and incurs negligible computational complexity compared to state-of-the-art ensemble learning and weight averaging methods.
♻ ☆ Rational Metareasoning for Large Language Models
Being prompted to engage in reasoning has emerged as a core technique for using large language models (LLMs), deploying additional inference-time compute to improve task performance. However, as LLMs increase in both size and adoption, inference costs are correspondingly becoming increasingly burdensome. How, then, might we optimize reasoning's cost-performance tradeoff? This work introduces a novel approach based on computational models of metareasoning used in cognitive science, training LLMs to selectively use intermediate reasoning steps only when necessary. We first develop a reward function that incorporates the Value of Computation by penalizing unnecessary reasoning, then use this reward function with Expert Iteration to train the LLM. Compared to few-shot chain-of-thought prompting and STaR, our method significantly reduces inference costs (20-37\% fewer tokens generated across three models) while maintaining task performance across diverse datasets.
♻ ☆ Self-reflecting Large Language Models: A Hegelian Dialectical Approach
Investigating NLP through a philosophical lens has recently caught researchers' eyes, as it bridges computational methods with classical schools of philosophy. This paper introduces a philosophical framework inspired by the Hegelian Dialectic to enable LLMs' self-reflection, utilizing a self-dialectical approach to emulate internal critiques and synthesize new scientific ideas (spanning domains such as mathematics, physics, and more). Additionally, we explore the effect of generation temperature in LLMs by introducing a dynamic annealing approach, which encourages creativity in the early stages and gradually focuses on refinement and nuance, as well as a constant-temperature strategy. Furthermore, we implement a Multi-Agent Majority Voting (MAMV) strategy to assess the validity and novelty of the generated ideas, which proves useful in the absence of domain experts. We also evaluate the effectiveness of our method in generating novel scientific ideas and improving LLMs' reasoning capabilities. Our experiments demonstrate promising results in ideation, along with significant improvements in mathematical and symbolic reasoning.
♻ ☆ Critical Batch Size Revisited: A Simple Empirical Approach to Large-Batch Language Model Training
The right batch size is important when training language models at scale: a large batch size is necessary for fast training, but a batch size that is too large will harm token efficiency. To navigate this tradeoff, McCandlish et al. (2018) suggest that a critical batch size (CBS), below which training will not substantially degrade loss, can be estimated based on the gradient noise scale during training. While their method has been adopted in practice, e.g., when training GPT-3, strong assumptions are required to justify gradient noise as a proxy for the CBS, which makes it unclear whether their approach should be trusted in practice, limiting its applicability. In this paper, we introduce a simple, empirical approach to directly measure the CBS and show how the CBS evolves over training. Applying our approach to the OLMo models, we find that CBS is near 0 at initialization, increases rapidly at first, and then plateaus as training progresses. Furthermore, we find that this trend holds across different model sizes (1B and 7B), suggesting CBS from small training runs can inform larger-scale training runs. Our findings about how the CBS changes over training motivate batch size warmup as a natural way to reliably train language models at large batch size: start the batch size small and increase it as the CBS grows. To validate this claim, we use batch size warmup to train OLMo 1B to slightly better loss than the original training run with 43% fewer gradient steps. This shows how our framework can be applied to reliably train language models at larger batch sizes, increasing data parallelism without compromising performance.
♻ ☆ Robust Reinforcement Learning from Human Feedback for Large Language Models Fine-Tuning
Reinforcement learning from human feedback (RLHF) has emerged as a key technique for aligning the output of large language models (LLMs) with human preferences. To learn the reward function, most existing RLHF algorithms use the Bradley-Terry model, which relies on assumptions about human preferences that may not reflect the complexity and variability of real-world judgments. In this paper, we propose a robust algorithm to enhance the performance of existing approaches under such reward model misspecifications. Theoretically, our algorithm reduces the variance of reward and policy estimators, leading to improved regret bounds. Empirical evaluations on LLM benchmark datasets demonstrate that the proposed algorithm consistently outperforms existing methods, with 77-81% of responses being favored over baselines on the Anthropic Helpful and Harmless dataset.
♻ ☆ SLEEPING-DISCO 9M: A large-scale pre-training dataset for generative music modeling
We present Sleeping-DISCO 9M, a large-scale pre-training dataset for music and song. To the best of our knowledge, there are no open-source high-quality dataset representing popular and well-known songs for generative music modeling tasks such as text-music, music-captioning, singing-voice synthesis, melody reconstruction and cross-model retrieval. Past contributions focused on isolated and constrained factors whose core perspective was to create synthetic or re-recorded music corpus (e.g. GTSinger, M4Singer) and arbitrarily large-scale audio datasets (e.g. DISCO-10M and LAIONDISCO-12M) had been another focus for the community. Unfortunately, adoption of these datasets has been below substantial in the generative music community as these datasets fail to reflect real-world music and its flavour. Our dataset changes this narrative and provides a dataset that is constructed using actual popular music and world-renowned artists.
♻ ☆ Emergent Risk Awareness in Rational Agents under Resource Constraints
Advanced reasoning models with agentic capabilities (AI agents) are deployed to interact with humans and to solve sequential decision-making problems under (approximate) utility functions and internal models. When such problems have resource or failure constraints where action sequences may be forcibly terminated once resources are exhausted, agents face implicit trade-offs that reshape their utility-driven (rational) behaviour. Additionally, since these agents are typically commissioned by a human principal to act on their behalf, asymmetries in constraint exposure can give rise to previously unanticipated misalignment between human objectives and agent incentives. We formalise this setting through a survival bandit framework, provide theoretical and empirical results that quantify the impact of survival-driven preference shifts, identify conditions under which misalignment emerges and propose mechanisms to mitigate the emergence of risk-seeking or risk-averse behaviours. As a result, this work aims to increase understanding and interpretability of emergent behaviours of AI agents operating under such survival pressure, and offer guidelines for safely deploying such AI systems in critical resource-limited environments.
♻ ☆ Double Machine Learning for Conditional Moment Restrictions: IV Regression, Proximal Causal Learning and Beyond
Solving conditional moment restrictions (CMRs) is a key problem considered in statistics, causal inference, and econometrics, where the aim is to solve for a function of interest that satisfies some conditional moment equalities. Specifically, many techniques for causal inference, such as instrumental variable (IV) regression and proximal causal learning (PCL), are CMR problems. Most CMR estimators use a two-stage approach, where the first-stage estimation is directly plugged into the second stage to estimate the function of interest. However, naively plugging in the first-stage estimator can cause heavy bias in the second stage. This is particularly the case for recently proposed CMR estimators that use deep neural network (DNN) estimators for both stages, where regularisation and overfitting bias is present. We propose DML-CMR, a two-stage CMR estimator that provides an unbiased estimate with fast convergence rate guarantees. We derive a novel learning objective to reduce bias and develop the DML-CMR algorithm following the double/debiased machine learning (DML) framework. We show that our DML-CMR estimator can achieve the minimax optimal convergence rate of $O(N^{-1/2})$ under parameterisation and mild regularity conditions, where $N$ is the sample size. We apply DML-CMR to a range of problems using DNN estimators, including IV regression and proximal causal learning on real-world datasets, demonstrating state-of-the-art performance against existing CMR estimators and algorithms tailored to those problems.
Quantitative Methods 7
☆ An Analytical Neighborhood Enrichment Score for Spatial Omics
The neighborhood enrichment test is used to quantify spatial enrichment and depletion between spatial points with categorical labels, which is a common data type in spatial omics. Traditionally, this test relies on a permutation-based Monte Carlo approach, which tends to be computationally expensive for large datasets. In this study, we present a modified version of the test that can be computed analytically. This analytical version showed a minimum Pearson correlation of 0.95 with the conventional Monte Carlo-based method across eight spatial omics datasets, but with substantial speed-ups. Additional experiments on a large Xenium dataset demonstrated the method's ability to efficiently analyze large-scale data, making it a valuable tool for analyzing spatial omics data.
☆ BrainSymphony: A Transformer-Driven Fusion of fMRI Time Series and Structural Connectivity
Existing foundation models for neuroimaging are often prohibitively large and data-intensive. We introduce BrainSymphony, a lightweight, parameter-efficient foundation model that achieves state-of-the-art performance while being pre-trained on significantly smaller public datasets. BrainSymphony's strong multimodal architecture processes functional MRI data through parallel spatial and temporal transformer streams, which are then efficiently distilled into a unified representation by a Perceiver module. Concurrently, it models structural connectivity from diffusion MRI using a novel signed graph transformer to encode the brain's anatomical structure. These powerful, modality-specific representations are then integrated via an adaptive fusion gate. Despite its compact design, our model consistently outperforms larger models on a diverse range of downstream benchmarks, including classification, prediction, and unsupervised network identification tasks. Furthermore, our model revealed novel insights into brain dynamics using attention maps on a unique external psilocybin neuroimaging dataset (pre- and post-administration). BrainSymphony establishes that architecturally-aware, multimodal models can surpass their larger counterparts, paving the way for more accessible and powerful research in computational neuroscience.
comment: 21 pages, 8 figures
☆ Riemannian generative decoder ICML 2025
Riemannian representation learning typically relies on approximating densities on chosen manifolds. This involves optimizing difficult objectives, potentially harming models. To completely circumvent this issue, we introduce the Riemannian generative decoder which finds manifold-valued maximum likelihood latents with a Riemannian optimizer while training a decoder network. By discarding the encoder, we vastly simplify the manifold constraint compared to current approaches which often only handle few specific manifolds. We validate our approach on three case studies -- a synthetic branching diffusion process, human migrations inferred from mitochondrial DNA, and cells undergoing a cell division cycle -- each showing that learned representations respect the prescribed geometry and capture intrinsic non-Euclidean structure. Our method requires only a decoder, is compatible with existing architectures, and yields interpretable latent spaces aligned with data geometry.
comment: GenBio ICML 2025 (Proceedings of the Workshop on Generative AI for Biology at the 42nd International Conference on Machine Learning, Vancouver, Canada. PMLR 267, 2025)
☆ Harnessing Diet and Gene Expression Insights through a Centralized Nutrigenomics Database to Improve Public Health
Nutrigenomics is an emerging field that explores the intricate interaction between genes and diet. This study aimed to develop a comprehensive database to help clinicians and patients understand the connections between genetic disorders, associated genes, and tailored nutritional recommendations.
comment: Conference details can be found here: https://www.insticc.org/node/technicalprogram/DATA/2025
☆ MedTVT-R1: A Multimodal LLM Empowering Medical Reasoning and Diagnosis
Accurate and interpretable multi-disease diagnosis remains a critical challenge in medical research, particularly when leveraging heterogeneous multimodal medical data. Current approaches often rely on single-modal data, limiting their ability to comprehensively understand complex diseases. To address this, we propose MedTVT-R1, a novel Multimodal Large Language Model (MLLM) framework designed to integrate clinical multimodal data for reasoning and diagnosing multiple diseases. We construct MedTVT-QA, a curated instruction dataset that provides question-answer pairs for physiological-level interpretations and disease-level diagnoses with a Chain of Evidence approach. MedTVT-R1 incorporates a modality perception layer to capture inter-modal dependencies and adaptively weight modality contributions. Additionally, we employ Group Relative Policy Optimization (GRPO)-based Reinforcement Fine-Tuning with a Jaccard Reward function to enhance diagnostic reasoning. Experimental results demonstrate MedTVT-R1's superiority in multimodal feature utilization and multi-disease diagnosis, offering significant potential for clinical applications such as diagnostic report generation and comorbidity reasoning. The dataset and code are available at https://github.com/keke-nice/MedTVT-R1.
♻ ☆ Multilevel classification framework for breast cancer cell selection and its integration with advanced disease models
Breast cancer cell lines are indispensable tools for unraveling disease mechanisms, enabling drug discovery, and developing personalized treatments, yet their heterogeneity and inconsistent classification pose significant challenges in model selection and data reproducibility. This review aims at providing a comprehensive and user-friendly framework for broadly mapping the features of breast cancer types and commercially available human breast cancer cell lines, defining absolute criteria, i.e. objective features such as origin (e.g., MDA-MB, MCF), histological subtype (ductal, lobular), hormone receptor status (ER/PR/HER2), and genetic mutations (BRCA1, TP53), and relative criteria, which contextualize functional behaviors like metastatic potential, drug sensitivity, and genomic instability. It then examines how the proposed framework could be applied to cell line screening in advanced and emerging disease models. By supporting better informed choices, this work aims to improve experimental design and strengthen the connection between in vitro breast cancer studies and their clinical translation.
comment: 5 figures, 3 tables
♻ ☆ Anatomical basis of sex differences in the electrocardiogram identified by three-dimensional torso-heart imaging reconstruction pipeline
The electrocardiogram (ECG) is used for diagnosis and risk stratification following myocardial infarction (MI). Women have a higher incidence of missed MI diagnosis and complications following infarction, and to address this we aim to provide quantitative information on sex-differences in ECG and torso-ventricular anatomy features. A novel computational automated pipeline is presented enabling the three-dimensional reconstruction of torso-ventricular anatomies for 425 post-MI subjects and 1051 healthy controls from UK Biobank clinical images. Regression models were created relating torso-ventricular and ECG parameters. For post-MI women, the heart is positioned more posteriorly and vertically, than in men (with healthy women yet more vertical). Post-MI women exhibit less QRS prolongation, requiring 27% more prolongation than men to exceed 120ms. Only half of the sex difference in QRS is associated with smaller female cavities. Lower STj amplitude in women is striking, associated with smaller ventricles, but also more superior and posterior cardiac position. Post-MI, T wave amplitude and R axis deviations are strongly associated with a more posterior and horizontal cardiac position in women (but not in men). Our study highlights the need to quantify sex differences in anatomical features, their implications in ECG interpretation, and the application of clinical ECG thresholds in post-MI.
comment: Paper under revision
Cell Behavior 1
♻ ☆ Multilevel classification framework for breast cancer cell selection and its integration with advanced disease models
Breast cancer cell lines are indispensable tools for unraveling disease mechanisms, enabling drug discovery, and developing personalized treatments, yet their heterogeneity and inconsistent classification pose significant challenges in model selection and data reproducibility. This review aims at providing a comprehensive and user-friendly framework for broadly mapping the features of breast cancer types and commercially available human breast cancer cell lines, defining absolute criteria, i.e. objective features such as origin (e.g., MDA-MB, MCF), histological subtype (ductal, lobular), hormone receptor status (ER/PR/HER2), and genetic mutations (BRCA1, TP53), and relative criteria, which contextualize functional behaviors like metastatic potential, drug sensitivity, and genomic instability. It then examines how the proposed framework could be applied to cell line screening in advanced and emerging disease models. By supporting better informed choices, this work aims to improve experimental design and strengthen the connection between in vitro breast cancer studies and their clinical translation.
comment: 5 figures, 3 tables
Genomics 1
☆ Quantum Gradient Optimized Drug Repurposing Prototype for Omics Data
This paper presents a novel quantum-enhanced prototype for drug repurposing and addresses the challenge of managing massive genomics data in precision medicine.
comment: Conference details can be found here: https://www.insticc.org/node/technicalprogram/DATA/2025
Computation and Language 7
Shrinking the Generation-Verification Gap with Weak Verifiers
Verifiers can improve language model capabilities by scoring and ranking responses from generated candidates. Currently, high-quality verifiers are either unscalable (e.g., humans) or limited in utility (e.g., tools like Lean). While LM judges and reward models have become broadly useful as general-purpose verifiers, a significant performance gap remains between them and oracle verifiers (verifiers with perfect accuracy). To help close this gap, we introduce Weaver, a framework for designing a strong verifier by combining multiple weak, imperfect verifiers. We find weighted ensembles of verifiers, which typically require learning from labeled data, significantly outperform unweighted combinations due to differences in verifier accuracies. To reduce dependency on labeled data, Weaver leverages weak supervision to estimate each verifier's accuracy and combines outputs into a unified score that better reflects true response quality. However, directly applying weak supervision algorithms poses challenges, including inconsistent verifier output formats and handling low-quality verifiers. Weaver addresses these using dataset statistics to normalize outputs and filter specific verifiers. We study Weaver's effectiveness in test-time repeated sampling, where a model generates multiple candidate responses and selects one. Our evaluations show Weaver significantly improves over Pass@1-performance when selecting the first candidate-across reasoning and math tasks, achieving o3-mini-level accuracy with Llama 3.3 70B Instruct as generator, and an ensemble of 70B or smaller judge and reward models as verifiers (87.7% average). This gain mirrors the jump between GPT-4o and o3-mini (69.0% vs. 86.7%), which required extensive finetuning and post-training. To reduce computational costs of verifier ensembles, we train a 400M cross-encoder using Weaver's combined output scores.
☆ Deciphering Emotions in Children Storybooks: A Comparative Analysis of Multimodal LLMs in Educational Applications
Emotion recognition capabilities in multimodal AI systems are crucial for developing culturally responsive educational technologies, yet remain underexplored for Arabic language contexts where culturally appropriate learning tools are critically needed. This study evaluates the emotion recognition performance of two advanced multimodal large language models, GPT-4o and Gemini 1.5 Pro, when processing Arabic children's storybook illustrations. We assessed both models across three prompting strategies (zero-shot, few-shot, and chain-of-thought) using 75 images from seven Arabic storybooks, comparing model predictions with human annotations based on Plutchik's emotional framework. GPT-4o consistently outperformed Gemini across all conditions, achieving the highest macro F1-score of 59% with chain-of-thought prompting compared to Gemini's best performance of 43%. Error analysis revealed systematic misclassification patterns, with valence inversions accounting for 60.7% of errors, while both models struggled with culturally nuanced emotions and ambiguous narrative contexts. These findings highlight fundamental limitations in current models' cultural understanding and emphasize the need for culturally sensitive training approaches to develop effective emotion-aware educational technologies for Arabic-speaking learners.
☆ Prompt Engineering Techniques for Mitigating Cultural Bias Against Arabs and Muslims in Large Language Models: A Systematic Review
Large language models have demonstrated remarkable capabilities across various domains, yet concerns about cultural bias - particularly towards Arabs and Muslims - pose significant ethical challenges by perpetuating harmful stereotypes and marginalization. Despite growing recognition of bias in LLMs, prompt engineering strategies specifically addressing Arab and Muslim representation remain understudied. This mixed-methods systematic review examines such techniques, offering evidence-based guidance for researchers and practitioners. Following PRISMA guidelines and Kitchenham's systematic review methodology, we analyzed 8 empirical studies published between 2021-2024 investigating bias mitigation strategies. Our findings reveal five primary prompt engineering approaches: cultural prompting, affective priming, self-debiasing techniques, structured multi-step pipelines, and parameter-optimized continuous prompts. Although all approaches show potential for reducing bias, effectiveness varied substantially across studies and bias types. Evidence suggests that certain bias types may be more resistant to prompt-based mitigation than others. Structured multi-step pipelines demonstrated the highest overall effectiveness, achieving up to 87.7% reduction in bias, though they require greater technical expertise. Cultural prompting offers broader accessibility with substantial effectiveness. These results underscore the accessibility of prompt engineering for mitigating cultural bias without requiring access to model parameters. The limited number of studies identified highlights a significant research gap in this critical area. Future research should focus on developing culturally adaptive prompting techniques, creating Arab and Muslim-specific evaluation resources, and integrating prompt engineering with complementary debiasing methods to address deeper stereotypes while maintaining model utility.
☆ CareLab at #SMM4H-HeaRD 2025: Insomnia Detection and Food Safety Event Extraction with Domain-Aware Transformers AAAI
This paper presents our system for the SMM4H-HeaRD 2025 shared tasks, specifically Task 4 (Subtasks 1, 2a, and 2b) and Task 5 (Subtasks 1 and 2). Task 4 focused on detecting mentions of insomnia in clinical notes, while Task 5 addressed the extraction of food safety events from news articles. We participated in all subtasks and report key findings across them, with particular emphasis on Task 5 Subtask 1, where our system achieved strong performance-securing first place with an F1 score of 0.958 on the test set. To attain this result, we employed encoder-based models (e.g., RoBERTa), alongside GPT-4 for data augmentation. This paper outlines our approach, including preprocessing, model architecture, and subtask-specific adaptations
comment: In the Proceedings of the 10th Social Media Mining for Health and Health Real-World Data Workshop and Shared Tasks, co-located with AAAI ICWSM 2025
☆ Reasoning about Uncertainty: Do Reasoning Models Know When They Don't Know?
Reasoning language models have set state-of-the-art (SOTA) records on many challenging benchmarks, enabled by multi-step reasoning induced using reinforcement learning. However, like previous language models, reasoning models are prone to generating confident, plausible responses that are incorrect (hallucinations). Knowing when and how much to trust these models is critical to the safe deployment of reasoning models in real-world applications. To this end, we explore uncertainty quantification of reasoning models in this work. Specifically, we ask three fundamental questions: First, are reasoning models well-calibrated? Second, does deeper reasoning improve model calibration? Finally, inspired by humans' innate ability to double-check their thought processes to verify the validity of their answers and their confidence, we ask: can reasoning models improve their calibration by explicitly reasoning about their chain-of-thought traces? We introduce introspective uncertainty quantification (UQ) to explore this direction. In extensive evaluations on SOTA reasoning models across a broad range of benchmarks, we find that reasoning models: (i) are typically overconfident, with self-verbalized confidence estimates often greater than 85% particularly for incorrect responses, (ii) become even more overconfident with deeper reasoning, and (iii) can become better calibrated through introspection (e.g., o3-Mini and DeepSeek R1) but not uniformly (e.g., Claude 3.7 Sonnet becomes more poorly calibrated). Lastly, we conclude with important research directions to design necessary UQ benchmarks and improve the calibration of reasoning models.
♻ ☆ Supernova Event Dataset: Interpreting Large Language Models' Personality through Critical Event Analysis ICML 2025
Large Language Models (LLMs) are increasingly integrated into everyday applications. As their influence grows, understanding their decision making and underlying personality becomes essential. In this work, we interpret model personality using our proposed Supernova Event Dataset, a novel dataset with diverse articles spanning biographies, historical events, news, and scientific discoveries. We use this dataset to benchmark LLMs on extracting and ranking key events from text, a subjective and complex challenge that requires reasoning over long-range context and modeling causal chains. We evaluate small models like Phi-4, Orca 2, and Qwen 2.5, and large, stronger models such as Claude 3.7, Gemini 2.5, and OpenAI o3, and propose a framework where another LLM acts as a judge to infer each model's personality based on its selection and classification of events. Our analysis shows distinct personality traits: for instance, Orca 2 demonstrates emotional reasoning focusing on interpersonal dynamics, while Qwen 2.5 displays a more strategic, analytical style. When analyzing scientific discovery events, Claude Sonnet 3.7 emphasizes conceptual framing, Gemini 2.5 Pro prioritizes empirical validation, and o3 favors step-by-step causal reasoning. This analysis improves model interpretability, making them user-friendly for a wide range of diverse applications. Project Page - https://www.supernova-event.ai/
comment: Accepted at Actionable Interpretability Workshop at ICML 2025
♻ ☆ ExpertLongBench: Benchmarking Language Models on Expert-Level Long-Form Generation Tasks with Structured Checklists
This paper introduces ExpertLongBench, an expert-level benchmark containing 11 tasks from 9 domains that reflect realistic expert workflows and applications. Beyond question answering, the application-driven tasks in ExpertLongBench demand long-form outputs that can exceed 5,000 tokens and strict adherence to domain-specific requirements. Notably, each task in ExpertLongBench includes a rubric, designed or validated by domain experts, to specify task requirements and guide output evaluation. Furthermore, we propose CLEAR, an evaluation framework that supports accurate evaluation of long-form model outputs in our benchmark. To achieve fine-grained, expert-aligned evaluation, CLEAR derives checklists from both model outputs and references by extracting information corresponding to items in the task-specific rubric. Checklist items for model outputs are then compared with corresponding items for reference outputs to assess their correctness, enabling grounded evaluation. We benchmark 11 large language models (LLMs) and analyze components in CLEAR, showing that (1) existing LLMs, with the top performer achieving only a 26.8% F1 score, require significant improvement for expert-level tasks; (2) models can generate content corresponding to the required aspects, though often not accurately; and (3) accurate checklist extraction and comparison in CLEAR can be achieved by open-weight models for more scalable and low-cost usage.
Machine Learning 95
☆ Joint Embedding Predictive Architecture for self-supervised pretraining on polymer molecular graphs
Recent advances in machine learning (ML) have shown promise in accelerating the discovery of polymers with desired properties by aiding in tasks such as virtual screening via property prediction. However, progress in polymer ML is hampered by the scarcity of high-quality labeled datasets, which are necessary for training supervised ML models. In this work, we study the use of the very recent 'Joint Embedding Predictive Architecture' (JEPA), a type of architecture for self-supervised learning (SSL), on polymer molecular graphs to understand whether pretraining with the proposed SSL strategy improves downstream performance when labeled data is scarce. Our results indicate that JEPA-based self-supervised pretraining on polymer graphs enhances downstream performance, particularly when labeled data is very scarce, achieving improvements across all tested datasets.
☆ DeInfoReg: A Decoupled Learning Framework for Better Training Throughput
This paper introduces Decoupled Supervised Learning with Information Regularization (DeInfoReg), a novel approach that transforms a long gradient flow into multiple shorter ones, thereby mitigating the vanishing gradient problem. Integrating a pipeline strategy, DeInfoReg enables model parallelization across multiple GPUs, significantly improving training throughput. We compare our proposed method with standard backpropagation and other gradient flow decomposition techniques. Extensive experiments on diverse tasks and datasets demonstrate that DeInfoReg achieves superior performance and better noise resistance than traditional BP models and efficiently utilizes parallel computing resources. The code for reproducibility is available at: https://github.com/ianzih/Decoupled-Supervised-Learning-for-Information-Regularization/.
☆ Call Me Maybe: Enhancing JavaScript Call Graph Construction using Graph Neural Networks
Static analysis plays a key role in finding bugs, including security issues. A critical step in static analysis is building accurate call graphs that model function calls in a program. However, due to hard-to-analyze language features, existing call graph construction algorithms for JavaScript are neither sound nor complete. Prior work shows that even advanced solutions produce false edges and miss valid ones. In this work, we assist these tools by identifying missed call edges. Our main idea is to frame the problem as link prediction on full program graphs, using a rich representation with multiple edge types. Our approach, GRAPHIA, leverages recent advances in graph neural networks to model non-local relationships between code elements. Concretely, we propose representing JavaScript programs using a combination of syntactic- and semantic-based edges. GRAPHIA can learn from imperfect labels, including static call edges from existing tools and dynamic edges from tests, either from the same or different projects. Because call graphs are sparse, standard machine learning metrics like ROC are not suitable. Instead, we evaluate GRAPHIA by ranking function definitions for each unresolved call site. We conduct a large-scale evaluation on 50 popular JavaScript libraries with 163K call edges (150K static and 13K dynamic). GRAPHIA builds program graphs with 6.6M structural and 386K semantic edges. It ranks the correct target as the top candidate in over 42% of unresolved cases and within the top 5 in 72% of cases, reducing the manual effort needed for analysis. Our results show that learning-based methods can improve the recall of JavaScript call graph construction. To our knowledge, this is the first work to apply GNN-based link prediction to full multi-file program graphs for interprocedural analysis.
☆ The Impact of Medication Non-adherence on Adverse Outcomes: Evidence from Schizophrenia Patients via Survival Analysis
This study quantifies the association between non-adherence to antipsychotic medications and adverse outcomes in individuals with schizophrenia. We frame the problem using survival analysis, focusing on the time to the earliest of several adverse events (early death, involuntary hospitalization, jail booking). We extend standard causal inference methods (T-learner, S-learner, nearest neighbor matching) to utilize various survival models to estimate individual and average treatment effects, where treatment corresponds to medication non-adherence. Analyses are repeated using different amounts of longitudinal information (3, 6, 9, and 12 months). Using data from Allegheny County in western Pennsylvania, we find strong evidence that non-adherence advances adverse outcomes by approximately 1 to 4 months. Ablation studies confirm that county-provided risk scores adjust for key confounders, as their removal amplifies the estimated effects. Subgroup analyses by medication formulation (injectable vs. oral) and medication type consistently show that non-adherence is associated with earlier adverse events. These findings highlight the clinical importance of adherence in delaying psychiatric crises and show that integrating survival analysis with causal inference tools can yield policy-relevant insights. We caution that although we apply causal inference, we only make associative claims and discuss assumptions needed for causal interpretation.
comment: Conference on Health, Inference, and Learning (CHIL 2025)
☆ Online Learning of Whittle Indices for Restless Bandits with Non-Stationary Transition Kernels
We consider optimal resource allocation for restless multi-armed bandits (RMABs) in unknown, non-stationary settings. RMABs are PSPACE-hard to solve optimally, even when all parameters are known. The Whittle index policy is known to achieve asymptotic optimality for a large class of such problems, while remaining computationally efficient. In many practical settings, however, the transition kernels required to compute the Whittle index are unknown and non-stationary. In this work, we propose an online learning algorithm for Whittle indices in this setting. Our algorithm first predicts current transition kernels by solving a linear optimization problem based on upper confidence bounds and empirical transition probabilities calculated from data over a sliding window. Then, it computes the Whittle index associated with the predicted transition kernels. We design these sliding windows and upper confidence bounds to guarantee sub-linear dynamic regret on the number of episodes $T$, under the condition that transition kernels change slowly over time (rate upper bounded by $\epsilon=1/T^k$ with $k>0$). Furthermore, our proposed algorithm and regret analysis are designed to exploit prior domain knowledge and structural information of the RMABs to accelerate the learning process. Numerical results validate that our algorithm achieves superior performance in terms of lowest cumulative regret relative to baselines in non-stationary environments.
☆ Memba: Membrane-driven Parameter-Efficient Fine-Tuning for Mamba
State Space Models (SSMs) have emerged as powerful alternatives to attention-based Transformers, with Mamba demonstrating impressive efficiency and scalability. As these models grow increasingly larger, the need for Parameter-Efficient Fine-Tuning (PEFT) methods becomes critical to adapt pre-trained Mamba to downstream tasks without prohibitive computational costs. However, previous approaches simply apply traditional Transformer-tailored PEFT methods without addressing the unique temporal processing dynamics of SSMs. To address this limitation, we propose Memba, a membrane-driven PEFT approach specifically designed for Mamba. Memba introduces Leaky Integrate Membrane (LIM) neurons as bio-inspired gating mechanisms that naturally accumulate membrane potentials over time, enhancing selective information retention. By strategically combining LIM neurons with Low-Rank Adaptations (LoRA) and cross-layer membrane transfer, our approach significantly improves Mamba's temporal modeling capabilities. Extensive experiments across language and vision tasks demonstrate that Memba achieves substantial improvements over existing PEFT methods. The code is available at https://github.com/Intelligent-Computing-Lab-Yale/Memba.
☆ Understanding Reasoning in Thinking Language Models via Steering Vectors
Recent advances in large language models (LLMs) have led to the development of thinking language models that generate extensive internal reasoning chains before producing responses. While these models achieve improved performance, controlling their reasoning processes remains challenging. This work presents a steering approach for thinking LLMs by analyzing and manipulating specific reasoning behaviors in DeepSeek-R1-Distill models. Through a systematic experiment on 500 tasks across 10 diverse categories, we identify several reasoning behaviors exhibited by thinking models, including expressing uncertainty, generating examples for hypothesis validation, and backtracking in reasoning chains. We demonstrate that these behaviors are mediated by linear directions in the model's activation space and can be controlled using steering vectors. By extracting and applying these vectors, we provide a method to modulate specific aspects of the model's reasoning process, such as its tendency to backtrack or express uncertainty. Our approach offers practical tools for steering reasoning processes in thinking models in a controlled and interpretable manner. We validate our steering method using two DeepSeek-R1-Distill models, demonstrating consistent control across different model architectures.
☆ Non-equilibrium Annealed Adjoint Sampler
Recently, there has been significant progress in learning-based diffusion samplers, which aim to sample from a given unnormalized density. These methods typically follow one of two paradigms: (i) formulating sampling as an unbiased stochastic optimal control (SOC) problem using a canonical reference process, or (ii) refining annealed path measures through importance-weighted sampling. Although annealing approaches have advantages in guiding samples toward high-density regions, reliance on importance sampling leads to high variance and limited scalability in practice. In this paper, we introduce the \textbf{Non-equilibrium Annealed Adjoint Sampler (NAAS)}, a novel SOC-based diffusion sampler that leverages annealed reference dynamics without resorting to importance sampling. NAAS employs a lean adjoint system inspired by adjoint matching, enabling efficient and scalable training. We demonstrate the effectiveness of our approach across a range of tasks, including sampling from classical energy landscapes and molecular Boltzmann distribution.
comment: 21 pages, 7 figures
☆ Pitfalls of Conformal Predictions for Medical Image Classification
Reliable uncertainty estimation is one of the major challenges for medical classification tasks. While many approaches have been proposed, recently the statistical framework of conformal predictions has gained a lot of attention, due to its ability to provide provable calibration guarantees. Nonetheless, the application of conformal predictions in safety-critical areas such as medicine comes with pitfalls, limitations and assumptions that practitioners need to be aware of. We demonstrate through examples from dermatology and histopathology that conformal predictions are unreliable under distributional shifts in input and label variables. Additionally, conformal predictions should not be used for selecting predictions to improve accuracy and are not reliable for subsets of the data, such as individual classes or patient attributes. Moreover, in classification settings with a small number of classes, which are common in medical image classification tasks, conformal predictions have limited practical value.
☆ Probabilistic and reinforced mining of association rules
This work introduces 4 novel probabilistic and reinforcement-driven methods for association rule mining (ARM): Gaussian process-based association rule mining (GPAR), Bayesian ARM (BARM), multi-armed bandit based ARM (MAB-ARM), and reinforcement learning based association rule mining (RLAR). These methods depart fundamentally from traditional frequency-based algorithms such as Apriori, FP-Growth, and Eclat, offering enhanced capabilities for incorporating prior knowledge, modeling uncertainty, item dependencies, probabilistic inference and adaptive search strategies. GPAR employs Gaussian processes to model item co-occurrence via feature representations, enabling principled inference, uncertainty quantification, and efficient generalization to unseen itemsets without retraining. BARM adopts a Bayesian framework with priors and optional correlation structures, yielding robust uncertainty quantification through full posterior distributions over item presence probabilities. MAB-ARM, including its Monte Carlo tree search (MCTS) companion, utilizes an upper confidence bound (UCB) strategy for efficient and adaptive exploration of the itemset space, while RLAR applies a deep Q-network (DQN) to learn a generalizable policy for identifying high-quality rules. Collectively, these approaches improve the flexibility and robustness of ARM, particularly for discovering rare or complex patterns and operating on small datasets. Empirical results on synthetic and real-world datasets demonstrate their effectiveness, while also highlighting trade-offs in computational complexity and interpretability. These innovations mark a significant shift from static, frequency-driven paradigms, offering some prior and dependency-informed, uncertainty-aware or scalable ARM frameworks for diverse application domains such as retail, geography, finance, medical diagnostics, and risk-sensitive scenarios.
comment: 205 pages
☆ Routing Mamba: Scaling State Space Models with Mixture-of-Experts Projection
Linear State Space Models (SSMs) offer remarkable performance gains in efficient sequence modeling, with constant inference-time computation and memory complexity. Recent advances, such as Mamba, further enhance SSMs with input-dependent gating and hardware-aware implementations, positioning them as strong alternatives to Transformers for long sequence modeling. However, efficiently scaling the expressive power of SSMs, particularly with Mixture of Experts (MoE), remains challenging, as naive integration attempts often falter or degrade performance. In this work, we introduce Routing Mamba (RoM), a novel approach that scales SSM parameters using sparse mixtures of linear projection experts. By sharing routing decisions between projection layers and lightweight sub-modules within Mamba across experts, RoM leverages synergies among linear projection experts for effective and efficient sparse scaling of Mamba layers. At a scale of 1.3B active parameters (10B total) and 16K training sequence length, RoM achieves language modeling performance equivalent to a dense Mamba model requiring over 2.3x more active parameters, and demonstrates consistent perplexity across context lengths. Experimental results further show RoM effectively scales hybrid language models, yielding a 23% FLOPS saving compared to dense Mamba scaling for similar performance.
☆ Bayesian Multiobject Tracking With Neural-Enhanced Motion and Measurement Models
Multiobject tracking (MOT) is an important task in applications including autonomous driving, ocean sciences, and aerospace surveillance. Traditional MOT methods are model-based and combine sequential Bayesian estimation with data association and an object birth model. More recent methods are fully data-driven and rely on the training of neural networks. Both approaches offer distinct advantages in specific settings. In particular, model-based methods are generally applicable across a wide range of scenarios, whereas data-driven MOT achieves superior performance in scenarios where abundant labeled data for training is available. A natural thought is whether a general framework can integrate the two approaches. This paper introduces a hybrid method that utilizes neural networks to enhance specific aspects of the statistical model in Bayesian MOT that have been identified as overly simplistic. By doing so, the performance of the prediction and update steps of Bayesian MOT is improved. To ensure tractable computation, our framework uses belief propagation to avoid high-dimensional operations combined with sequential Monte Carlo methods to perform low-dimensional operations efficiently. The resulting method combines the flexibility and robustness of model-based approaches with the capability to learn complex information from data of neural networks. We evaluate the performance of the proposed method based on the nuScenes autonomous driving dataset and demonstrate that it has state-of-the-art performance
RoboArena: Distributed Real-World Evaluation of Generalist Robot Policies
Comprehensive, unbiased, and comparable evaluation of modern generalist policies is uniquely challenging: existing approaches for robot benchmarking typically rely on heavy standardization, either by specifying fixed evaluation tasks and environments, or by hosting centralized ''robot challenges'', and do not readily scale to evaluating generalist policies across a broad range of tasks and environments. In this work, we propose RoboArena, a new approach for scalable evaluation of generalist robot policies in the real world. Instead of standardizing evaluations around fixed tasks, environments, or locations, we propose to crowd-source evaluations across a distributed network of evaluators. Importantly, evaluators can freely choose the tasks and environments they evaluate on, enabling easy scaling of diversity, but they are required to perform double-blind evaluations over pairs of policies. Then, by aggregating preference feedback from pairwise comparisons across diverse tasks and environments, we can derive a ranking of policies. We instantiate our approach across a network of evaluators at seven academic institutions using the DROID robot platform. Through more than 600 pairwise real-robot evaluation episodes across seven generalist policies, we demonstrate that our crowd-sourced approach can more accurately rank the performance of existing generalist policies than conventional, centralized evaluation approaches, while being more scalable, resilient, and trustworthy. We open our evaluation network to the community and hope that it can enable more accessible comparisons of generalist robot policies.
comment: Website: https://robo-arena.github.io/
☆ Dynamic Temporal Positional Encodings for Early Intrusion Detection in IoT
The rapid expansion of the Internet of Things (IoT) has introduced significant security challenges, necessitating efficient and adaptive Intrusion Detection Systems (IDS). Traditional IDS models often overlook the temporal characteristics of network traffic, limiting their effectiveness in early threat detection. We propose a Transformer-based Early Intrusion Detection System (EIDS) that incorporates dynamic temporal positional encodings to enhance detection accuracy while maintaining computational efficiency. By leveraging network flow timestamps, our approach captures both sequence structure and timing irregularities indicative of malicious behaviour. Additionally, we introduce a data augmentation pipeline to improve model robustness. Evaluated on the CICIoT2023 dataset, our method outperforms existing models in both accuracy and earliness. We further demonstrate its real-time feasibility on resource-constrained IoT devices, achieving low-latency inference and minimal memory footprint.
comment: Accepted at the 10th International Conference on Smart and Sustainable Technologies (SpliTech 2025)
☆ RL for Reasoning by Adaptively Revealing Rationales
We propose that reinforcement learning (RL) from partial expert demonstrations is not merely a training heuristic, but a promising framework for solving complex sequence generation tasks. Supervised fine-tuning (SFT) relies on dense ground-truth labels, which become increasingly costly as sequence length grows. RL, on the other hand, struggles with sparse rewards and a combinatorially large output space. We address this by introducing adaptive backtracking (AdaBack), a per-sample curriculum learning algorithm that reveals only a partial prefix of the target output during training. The supervision length is adjusted dynamically for each sample based on the model's past reward signal, allowing it to incrementally learn to complete reasoning chains by conditioning on correct partial solutions. We investigate this intermediate regime between SFT and RL and argue that per-sample curriculum learning is more than a trade-off between efficiency and generality, it can succeed in tasks with long sequences of latent dependencies where SFT and RL both fail to generalize. Using a synthetic task with latent parity constraints, we show that our adaptive curriculum over partial answers reliably solves problems that are otherwise intractable. On mathematical reasoning benchmarks (MATH, GSM8k), we find that curriculum learning enables models to solve problems that RL alone cannot, acquiring new reasoning capabilities through incremental exposure to partial solutions.
comment: 18 pages, 8 figures
☆ CT Radiomics-Based Explainable Machine Learning Model for Accurate Differentiation of Malignant and Benign Endometrial Tumors: A Two-Center Study
Aimed to develop and validate a CT radiomics-based explainable machine learning model for diagnosing malignancy and benignity specifically in endometrial cancer (EC) patients. A total of 83 EC patients from two centers, including 46 with malignant and 37 with benign conditions, were included, with data split into a training set (n=59) and a testing set (n=24). The regions of interest (ROIs) were manually segmented from pre-surgical CT scans, and 1132 radiomic features were extracted from the pre-surgical CT scans using Pyradiomics. Six explainable machine learning modeling algorithms were implemented respectively, for determining the optimal radiomics pipeline. The diagnostic performance of the radiomic model was evaluated by using sensitivity, specificity, accuracy, precision, F1 score, confusion matrices, and ROC curves. To enhance clinical understanding and usability, we separately implemented SHAP analysis and feature mapping visualization, and evaluated the calibration curve and decision curve. By comparing six modeling strategies, the Random Forest model emerged as the optimal choice for diagnosing EC, with a training AUC of 1.00 and a testing AUC of 0.96. SHAP identified the most important radiomic features, revealing that all selected features were significantly associated with EC (P < 0.05). Radiomics feature maps also provide a feasible assessment tool for clinical applications. DCA indicated a higher net benefit for our model compared to the "All" and "None" strategies, suggesting its clinical utility in identifying high-risk cases and reducing unnecessary interventions. In conclusion, the CT radiomics-based explainable machine learning model achieved high diagnostic performance, which could be used as an intelligent auxiliary tool for the diagnosis of endometrial cancer.
comment: 30 pages, 5 figures, 3 tables
☆ Enhancing VICReg: Random-Walk Pairing for Improved Generalization and Better Global Semantics Capturing
In this paper, we argue that viewing VICReg-a popular self-supervised learning (SSL) method--through the lens of spectral embedding reveals a potential source of sub-optimality: it may struggle to generalize robustly to unseen data due to overreliance on the training data. This observation invites a closer look at how well this method achieves its goal of producing meaningful representations of images outside of the training set as well. Here, we investigate this issue and introduce SAG-VICReg (Stable and Generalizable VICReg), a method that builds on VICReg by incorporating new training techniques. These enhancements improve the model's ability to capture global semantics within the data and strengthen the generalization capabilities. Experiments demonstrate that SAG-VICReg effectively addresses the generalization challenge while matching or surpassing diverse state-of-the-art SSL baselines. Notably, our method exhibits superior performance on metrics designed to evaluate global semantic understanding, while simultaneously maintaining competitive results on local evaluation metrics. Furthermore, we propose a new standalone evaluation metric for embeddings that complements the standard evaluation methods and accounts for the global data structure without requiring labels--a key issue when tagged data is scarce or not available.
☆ ShareGPT-4o-Image: Aligning Multimodal Models with GPT-4o-Level Image Generation
Recent advances in multimodal generative models have unlocked photorealistic, instruction-aligned image generation, yet leading systems like GPT-4o-Image remain proprietary and inaccessible. To democratize these capabilities, we present ShareGPT-4o-Image, the first dataset comprising 45K text-to-image and 46K text-and-image-to-image data, all synthesized using GPT-4o's image generation capabilities for distilling its advanced image generation abilities. Leveraging this dataset, we develop Janus-4o, a multimodal large language model capable of both text-to-image and text-and-image-to-image generation. Janus-4o not only significantly improves text-to-image generation over its predecessor, Janus-Pro, but also newly supports text-and-image-to-image generation. Notably, it achieves impressive performance in text-and-image-to-image generation from scratch, using only 91K synthetic samples and 6 hours of training on an 8 A800-GPU machine. We hope the release of ShareGPT-4o-Image and Janus-4o will foster open research in photorealistic, instruction-aligned image generation.
☆ GRASP: Grouped Regression with Adaptive Shrinkage Priors
We introduce GRASP, a simple Bayesian framework for regression with grouped predictors, built on the normal beta prime (NBP) prior. The NBP prior is an adaptive generalization of the horseshoe prior with tunable hyperparameters that control tail behavior, enabling a flexible range of sparsity, from strong shrinkage to ridge-like regularization. Unlike prior work that introduced the group inverse-gamma gamma (GIGG) prior by decomposing the NBP prior into structured hierarchies, we show that directly controlling the tails is sufficient without requiring complex hierarchical constructions. Extending the non-tail adaptive grouped half-Cauchy hierarchy of Xu et al., GRASP assigns the NBP prior to both local and group shrinkage parameters allowing adaptive sparsity within and across groups. A key contribution of this work is a novel framework to explicitly quantify correlations among shrinkage parameters within a group, providing deeper insights into grouped shrinkage behavior. We also introduce an efficient Metropolis-Hastings sampler for hyperparameter estimation. Empirical results on simulated and real-world data demonstrate the robustness and versatility of GRASP across grouped regression problems with varying sparsity and signal-to-noise ratios.
☆ Identifiable Convex-Concave Regression via Sub-gradient Regularised Least Squares
We propose a novel nonparametric regression method that models complex input-output relationships as the sum of convex and concave components. The method-Identifiable Convex-Concave Nonparametric Least Squares (ICCNLS)-decomposes the target function into additive shape-constrained components, each represented via sub-gradient-constrained affine functions. To address the affine ambiguity inherent in convex-concave decompositions, we introduce global statistical orthogonality constraints, ensuring that residuals are uncorrelated with both intercept and input variables. This enforces decomposition identifiability and improves interpretability. We further incorporate L1, L2 and elastic net regularisation on sub-gradients to enhance generalisation and promote structural sparsity. The proposed method is evaluated on synthetic and real-world datasets, including healthcare pricing data, and demonstrates improved predictive accuracy and model simplicity compared to conventional CNLS and difference-of-convex (DC) regression approaches. Our results show that statistical identifiability, when paired with convex-concave structure and sub-gradient regularisation, yields interpretable models suited for forecasting, benchmarking, and policy evaluation.
comment: 21 pages, working paper
☆ Distributionally robust minimization in meta-learning for system identification
Meta learning aims at learning how to solve tasks, and thus it allows to estimate models that can be quickly adapted to new scenarios. This work explores distributionally robust minimization in meta learning for system identification. Standard meta learning approaches optimize the expected loss, overlooking task variability. We use an alternative approach, adopting a distributionally robust optimization paradigm that prioritizes high-loss tasks, enhancing performance in worst-case scenarios. Evaluated on a meta model trained on a class of synthetic dynamical systems and tested in both in-distribution and out-of-distribution settings, the proposed approach allows to reduce failures in safety-critical applications.
☆ TAB: Unified Benchmarking of Time Series Anomaly Detection Methods VLDB2025
Time series anomaly detection (TSAD) plays an important role in many domains such as finance, transportation, and healthcare. With the ongoing instrumentation of reality, more time series data will be available, leading also to growing demands for TSAD. While many TSAD methods already exist, new and better methods are still desirable. However, effective progress hinges on the availability of reliable means of evaluating new methods and comparing them with existing methods. We address deficiencies in current evaluation procedures related to datasets and experimental settings and protocols. Specifically, we propose a new time series anomaly detection benchmark, called TAB. First, TAB encompasses 29 public multivariate datasets and 1,635 univariate time series from different domains to facilitate more comprehensive evaluations on diverse datasets. Second, TAB covers a variety of TSAD methods, including Non-learning, Machine learning, Deep learning, LLM-based, and Time-series pre-trained methods. Third, TAB features a unified and automated evaluation pipeline that enables fair and easy evaluation of TSAD methods. Finally, we employ TAB to evaluate existing TSAD methods and report on the outcomes, thereby offering a deeper insight into the performance of these methods. Besides, all datasets and code are available at https://github.com/decisionintelligence/TAB.
comment: Accepted by PVLDB2025
☆ Pathwise Explanation of ReLU Neural Networks
Neural networks have demonstrated a wide range of successes, but their ``black box" nature raises concerns about transparency and reliability. Previous research on ReLU networks has sought to unwrap these networks into linear models based on activation states of all hidden units. In this paper, we introduce a novel approach that considers subsets of the hidden units involved in the decision making path. This pathwise explanation provides a clearer and more consistent understanding of the relationship between the input and the decision-making process. Our method also offers flexibility in adjusting the range of explanations within the input, i.e., from an overall attribution input to particular components within the input. Furthermore, it allows for the decomposition of explanations for a given input for more detailed explanations. Experiments demonstrate that our method outperforms others both quantitatively and qualitatively.
comment: In Proceedings of The 27th International Conference on Artificial Intelligence and Statistics, PMLR 238:4645-4653, 2024
☆ Why Do Some Language Models Fake Alignment While Others Don't?
Alignment faking in large language models presented a demonstration of Claude 3 Opus and Claude 3.5 Sonnet selectively complying with a helpful-only training objective to prevent modification of their behavior outside of training. We expand this analysis to 25 models and find that only 5 (Claude 3 Opus, Claude 3.5 Sonnet, Llama 3 405B, Grok 3, Gemini 2.0 Flash) comply with harmful queries more when they infer they are in training than when they infer they are in deployment. First, we study the motivations of these 5 models. Results from perturbing details of the scenario suggest that only Claude 3 Opus's compliance gap is primarily and consistently motivated by trying to keep its goals. Second, we investigate why many chat models don't fake alignment. Our results suggest this is not entirely due to a lack of capabilities: many base models fake alignment some of the time, and post-training eliminates alignment-faking for some models and amplifies it for others. We investigate 5 hypotheses for how post-training may suppress alignment faking and find that variations in refusal behavior may account for a significant portion of differences in alignment faking.
☆ Generalization under Byzantine & Poisoning Attacks: Tight Stability Bounds in Robust Distributed Learning
Robust distributed learning algorithms aim to maintain good performance in distributed and federated settings, even in the presence of misbehaving workers. Two primary threat models have been studied: Byzantine attacks, where misbehaving workers can send arbitrarily corrupted updates, and data poisoning attacks, where misbehavior is limited to manipulation of local training data. While prior work has shown comparable optimization error under both threat models, a fundamental question remains open: How do these threat models impact generalization? Empirical evidence suggests a gap between the two threat models, yet it remains unclear whether it is fundamental or merely an artifact of suboptimal attacks. In this work, we present the first theoretical investigation into this problem, formally showing that Byzantine attacks are intrinsically more harmful to generalization than data poisoning. Specifically, we prove that: (i) under data poisoning, the uniform algorithmic stability of a robust distributed learning algorithm, with optimal optimization error, degrades by an additive factor of $\varTheta ( \frac{f}{n-f} )$, with $f$ the number of misbehaving workers out of $n$; and (ii) In contrast, under Byzantine attacks, the degradation is in $\mathcal{O} \big( \sqrt{ \frac{f}{n-2f}} \big)$.This difference in stability leads to a generalization error gap that is especially significant as $f$ approaches its maximum value $\frac{n}{2}$.
☆ Probing the Embedding Space of Transformers via Minimal Token Perturbations IJCAI 2025
Understanding how information propagates through Transformer models is a key challenge for interpretability. In this work, we study the effects of minimal token perturbations on the embedding space. In our experiments, we analyze the frequency of which tokens yield to minimal shifts, highlighting that rare tokens usually lead to larger shifts. Moreover, we study how perturbations propagate across layers, demonstrating that input information is increasingly intermixed in deeper layers. Our findings validate the common assumption that the first layers of a model can be used as proxies for model explanations. Overall, this work introduces the combination of token perturbations and shifts on the embedding space as a powerful tool for model interpretability.
comment: IJCAI 2025 Workshop on Explainable Artificial Intelligence
☆ Imputation of Longitudinal Data Using GANs: Challenges and Implications for Classification
Longitudinal data is commonly utilised across various domains, such as health, biomedical, education and survey studies. This ubiquity has led to a rise in statistical, machine and deep learning-based methods for Longitudinal Data Classification (LDC). However, the intricate nature of the data, characterised by its multi-dimensionality, causes instance-level heterogeneity and temporal correlations that add to the complexity of longitudinal data analysis. Additionally, LDC accuracy is often hampered by the pervasiveness of missing values in longitudinal data. Despite ongoing research that draw on the generative power and utility of Generative Adversarial Networks (GANs) to address the missing data problem, critical considerations include statistical assumptions surrounding longitudinal data and missingness within it, as well as other data-level challenges like class imbalance and mixed data types that impact longitudinal data imputation (LDI) and the subsequent LDC process in GANs. This paper provides a comprehensive overview of how GANs have been applied in LDI, with a focus whether GANS have adequately addressed fundamental assumptions about the data from a LDC perspective. We propose a categorisation of main approaches to GAN-based LDI, highlight strengths and limitations of methods, identify key research trends, and provide promising future directions. Our findings indicate that while GANs show great potential for LDI to improve usability and quality of longitudinal data for tasks like LDC, there is need for more versatile approaches that can handle the wider spectrum of challenges presented by longitudinal data with missing values. By synthesising current knowledge and identifying critical research gaps, this survey aims to guide future research efforts in developing more effective GAN-based solutions to address LDC challenges.
comment: 68 pages (excluding bibliography), 10 figures
☆ Fast Neural Inverse Kinematics on Human Body Motions
Markerless motion capture enables the tracking of human motion without requiring physical markers or suits, offering increased flexibility and reduced costs compared to traditional systems. However, these advantages often come at the expense of higher computational demands and slower inference, limiting their applicability in real-time scenarios. In this technical report, we present a fast and reliable neural inverse kinematics framework designed for real-time capture of human body motions from 3D keypoints. We describe the network architecture, training methodology, and inference procedure in detail. Our framework is evaluated both qualitatively and quantitatively, and we support key design decisions through ablation studies.
comment: Work in progress
☆ Newtonian and Lagrangian Neural Networks: A Comparison Towards Efficient Inverse Dynamics Identification
Accurate inverse dynamics models are essential tools for controlling industrial robots. Recent research combines neural network regression with inverse dynamics formulations of the Newton-Euler and the Euler-Lagrange equations of motion, resulting in so-called Newtonian neural networks and Lagrangian neural networks, respectively. These physics-informed models seek to identify unknowns in the analytical equations from data. Despite their potential, current literature lacks guidance on choosing between Lagrangian and Newtonian networks. In this study, we show that when motor torques are estimated instead of directly measuring joint torques, Lagrangian networks prove less effective compared to Newtonian networks as they do not explicitly model dissipative torques. The performance of these models is compared to neural network regression on data of a MABI MAX 100 industrial robot.
comment: Paper accepted for publication in 14th IFAC Symposium on Robotics
☆ Data Curation Matters: Model Collapse and Spurious Shift Performance Prediction from Training on Uncurated Text Embeddings
Training models on uncurated Text Embeddings (TEs) derived from raw tabular data can lead to a severe failure mode known as model collapse, where predictions converge to a single class regardless of input. By comparing models trained with identical hyper-parameter configurations on both raw tabular data and their TE-derived counterparts, we find that collapse is a consistent failure mode in the latter setting. We introduce a set of metrics that capture the extent of model collapse, offering a new perspective on TE quality as a proxy for data curation. Our results reveal that TE alone does not effectively function as a curation layer - and that their quality significantly influences downstream learning. More insidiously, we observe that the presence of model collapse can yield artificially inflated and spurious Accuracy-on-the-Line correlation. These findings highlight the need for more nuanced curation and evaluation of embedding-based representations, particularly in out-of-distribution settings.
comment: 37 pages. Multiple figures
☆ SliceGX: Layer-wise GNN Explanation with Model-slicing
Ensuring the trustworthiness of graph neural networks (GNNs) as black-box models requires effective explanation methods. Existing GNN explanations typically apply input perturbations to identify subgraphs that are responsible for the occurrence of the final output of GNNs. However, such approaches lack finer-grained, layer-wise analysis of how intermediate representations contribute to the final result, capabilities that are crucial for model diagnosis and architecture optimization. This paper introduces SliceGX, a novel GNN explanation approach that generates explanations at specific GNN layers in a progressive manner. Given a GNN M, a set of selected intermediate layers, and a target layer, SliceGX automatically segments M into layer blocks ("model slice") and discovers high-quality explanatory subgraphs in each layer block that clarifies the occurrence of output of M at the targeted layer. Although finding such layer-wise explanations is computationally challenging, we develop efficient algorithms and optimization techniques that incrementally generate and maintain these subgraphs with provable approximation guarantees. Additionally, SliceGX offers a SPARQL-like query interface, providing declarative access and search capacities for the generated explanations. Through experiments on large real-world graphs and representative GNN architectures, we verify the effectiveness and efficiency of SliceGX, and illustrate its practical utility in supporting model debugging.
☆ Trustworthy Efficient Communication for Distributed Learning using LQ-SGD Algorithm
We propose LQ-SGD (Low-Rank Quantized Stochastic Gradient Descent), an efficient communication gradient compression algorithm designed for distributed training. LQ-SGD further develops on the basis of PowerSGD by incorporating the low-rank approximation and log-quantization techniques, which drastically reduce the communication overhead, while still ensuring the convergence speed of training and model accuracy. In addition, LQ-SGD and other compression-based methods show stronger resistance to gradient inversion than traditional SGD, providing a more robust and efficient optimization path for distributed learning systems.
☆ h-calibration: Rethinking Classifier Recalibration with Probabilistic Error-Bounded Objective
Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating miscalibration, particularly through post-hoc recalibration methods that aim to obtain calibrated probabilities without sacrificing the classification performance of pre-trained models. In this study, we summarize and categorize previous works into three general strategies: intuitively designed methods, binning-based methods, and methods based on formulations of ideal calibration. Through theoretical and practical analysis, we highlight ten common limitations in previous approaches. To address these limitations, we propose a probabilistic learning framework for calibration called h-calibration, which theoretically constructs an equivalent learning formulation for canonical calibration with boundedness. On this basis, we design a simple yet effective post-hoc calibration algorithm. Our method not only overcomes the ten identified limitations but also achieves markedly better performance than traditional methods, as validated by extensive experiments. We further analyze, both theoretically and experimentally, the relationship and advantages of our learning objective compared to traditional proper scoring rule. In summary, our probabilistic framework derives an approximately equivalent differentiable objective for learning error-bounded calibrated probabilities, elucidating the correspondence and convergence properties of computational statistics with respect to theoretical bounds in canonical calibration. The theoretical effectiveness is verified on standard post-hoc calibration benchmarks by achieving state-of-the-art performance. This research offers valuable reference for learning reliable likelihood in related fields.
☆ Adapting Vision-Language Models for Evaluating World Models
World models -- generative models that simulate environment dynamics conditioned on past observations and actions -- are gaining prominence in planning, simulation, and embodied AI. However, evaluating their rollouts remains a fundamental challenge, requiring fine-grained, temporally grounded assessment of action alignment and semantic consistency -- capabilities not captured by existing metrics. Vision-Language Models (VLMs) have shown promise as automatic evaluators of generative content due to their strong multimodal reasoning abilities. Yet, their use in fine-grained, temporally sensitive evaluation tasks remains limited and requires targeted adaptation. We introduce a evaluation protocol targeting two recognition tasks -- action recognition and character recognition -- each assessed across binary, multiple-choice, and open-ended formats. To support this, we present UNIVERSE (UNIfied Vision-language Evaluator for Rollouts in Simulated Environments), a method for adapting VLMs to rollout evaluation under data and compute constraints. We conduct a large-scale study comparing full, partial, and parameter-efficient finetuning across task formats, context lengths, sampling strategies, and data compositions. The resulting unified evaluator matches the performance of task-specific baselines using a single checkpoint. Human studies confirm strong alignment with human judgments, establishing UNIVERSE as a scalable, semantics-aware evaluator for world models.
☆ An entropy-optimal path to humble AI
Progress of AI has led to a creation of very successful, but by no means humble models and tools, especially regarding (i) the huge and further exploding costs and resources they demand, and (ii) the over-confidence of these tools with the answers they provide. Here we introduce a novel mathematical framework for a non-equilibrium entropy-optimizing reformulation of Boltzmann machines based on the exact law of total probability. It results in the highly-performant, but much cheaper, gradient-descent-free learning framework with mathematically-justified existence and uniqueness criteria, and answer confidence/reliability measures. Comparisons to state-of-the-art AI tools in terms of performance, cost and the model descriptor lengths on a set of synthetic problems with varying complexity reveal that the proposed method results in more performant and slim models, with the descriptor lengths being very close to the intrinsic complexity scaling bounds for the underlying problems. Applying this framework to historical climate data results in models with systematically higher prediction skills for the onsets of La Ni\~na and El Ni\~no climate phenomena, requiring just few years of climate data for training - a small fraction of what is necessary for contemporary climate prediction tools.
comment: 30 pages, 4 figures
☆ IDAL: Improved Domain Adaptive Learning for Natural Images Dataset
We present a novel approach for unsupervised domain adaptation (UDA) for natural images. A commonly-used objective for UDA schemes is to enhance domain alignment in representation space even if there is a domain shift in the input space. Existing adversarial domain adaptation methods may not effectively align different domains of multimodal distributions associated with classification problems. Our approach has two main features. Firstly, its neural architecture uses the deep structure of ResNet and the effective separation of scales of feature pyramidal network (FPN) to work with both content and style features. Secondly, it uses a combination of a novel loss function and judiciously selected existing loss functions to train the network architecture. This tailored combination is designed to address challenges inherent to natural images, such as scale, noise, and style shifts, that occur on top of a multi-modal (multi-class) distribution. The combined loss function not only enhances model accuracy and robustness on the target domain but also speeds up training convergence. Our proposed UDA scheme generalizes better than state-of-the-art for CNN-based methods on Office-Home, Office-31, and VisDA-2017 datasets and comaparable for DomainNet dataset.
comment: Accepted in ICPR'24 (International Conference on Pattern Recognition)
☆ Evolving Prompts In-Context: An Open-ended, Self-replicating Perspective ICML 2025
We propose a novel prompt design paradigm that challenges conventional wisdom in large language model (LLM) prompting. While conventional wisdom prioritizes well-crafted instructions and demonstrations for in-context learning (ICL), we show that pruning random demonstrations into seemingly incoherent "gibberish" can remarkably improve performance across diverse tasks. Notably, the "gibberish" always matches or surpasses state-of-the-art automatic prompt optimization techniques, achieving substantial gains regardless of LLM alignment. Nevertheless, discovering an effective pruning strategy is non-trivial, as existing attribution methods and prompt compression algorithms fail to deliver robust results, let alone human intuition. In terms of this, we propose a self-discover prompt optimization framework, PromptQuine, an evolutionary search framework that automatically searches for the pruning strategy by itself using only low-data regimes. Much like the emergent complexity in nature--such as symbiosis and self-organization--arising in response to resource constraints, our framework evolves and refines unconventional yet highly effective prompts by leveraging only the tokens present within the context. We demonstrate its effectiveness across classification, multi-choice question answering, generation and math reasoning tasks across LLMs, while achieving decent runtime efficiency. We hope our findings can guide mechanistic studies on in-context learning, and provide a call to action, to pave the way for more open-ended search algorithms for more effective LLM prompting.
comment: ICML 2025, and Code will be released at: https://github.com/jianyu-cs/PromptQuine/
☆ ASTER: Adaptive Spatio-Temporal Early Decision Model for Dynamic Resource Allocation
Supporting decision-making has long been a central vision in the field of spatio-temporal intelligence. While prior work has improved the timeliness and accuracy of spatio-temporal forecasting, converting these forecasts into actionable strategies remains a key challenge. A main limitation is the decoupling of the prediction and the downstream decision phases, which can significantly degrade the downstream efficiency. For example, in emergency response, the priority is successful resource allocation and intervention, not just incident prediction. To this end, it is essential to propose an Adaptive Spatio-Temporal Early Decision model (ASTER) that reforms the forecasting paradigm from event anticipation to actionable decision support. This framework ensures that information is directly used for decision-making, thereby maximizing overall effectiveness. Specifically, ASTER introduces a new Resource-aware Spatio-Temporal interaction module (RaST) that adaptively captures long- and short-term dependencies under dynamic resource conditions, producing context-aware spatiotemporal representations. To directly generate actionable decisions, we further design a Preference-oriented decision agent (Poda) based on multi-objective reinforcement learning, which transforms predictive signals into resource-efficient intervention strategies by deriving optimal actions under specific preferences and dynamic constraints. Experimental results on four benchmark datasets demonstrate the state-of-the-art performance of ASTER in improving both early prediction accuracy and resource allocation outcomes across six downstream metrics.
comment: ASTER: Adaptive Spatio-Temporal Early Decision Model for Dynamic Resource Allocation
☆ Permutation Equivariant Model-based Offline Reinforcement Learning for Auto-bidding
Reinforcement learning (RL) for auto-bidding has shifted from using simplistic offline simulators (Simulation-based RL Bidding, SRLB) to offline RL on fixed real datasets (Offline RL Bidding, ORLB). However, ORLB policies are limited by the dataset's state space coverage, offering modest gains. While SRLB expands state coverage, its simulator-reality gap risks misleading policies. This paper introduces Model-based RL Bidding (MRLB), which learns an environment model from real data to bridge this gap. MRLB trains policies using both real and model-generated data, expanding state coverage beyond ORLB. To ensure model reliability, we propose: 1) A permutation equivariant model architecture for better generalization, and 2) A robust offline Q-learning method that pessimistically penalizes model errors. These form the Permutation Equivariant Model-based Offline RL (PE-MORL) algorithm. Real-world experiments show that PE-MORL outperforms state-of-the-art auto-bidding methods.
☆ TROJAN-GUARD: Hardware Trojans Detection Using GNN in RTL Designs
Chip manufacturing is a complex process, and to achieve a faster time to market, an increasing number of untrusted third-party tools and designs from around the world are being utilized. The use of these untrusted third party intellectual properties (IPs) and tools increases the risk of adversaries inserting hardware trojans (HTs). The covert nature of HTs poses significant threats to cyberspace, potentially leading to severe consequences for national security, the economy, and personal privacy. Many graph neural network (GNN)-based HT detection methods have been proposed. However, they perform poorly on larger designs because they rely on training with smaller designs. Additionally, these methods do not explore different GNN models that are well-suited for HT detection or provide efficient training and inference processes. We propose a novel framework that generates graph embeddings for large designs (e.g., RISC-V) and incorporates various GNN models tailored for HT detection. Furthermore, our framework introduces domain-specific techniques for efficient training and inference by implementing model quantization. Model quantization reduces the precision of the weights, lowering the computational requirements, enhancing processing speed without significantly affecting detection accuracy. We evaluate our framework using a custom dataset, and our results demonstrate a precision of 98.66% and a recall (true positive rate) of 92.30%, highlighting the effectiveness and efficiency of our approach in detecting hardware trojans in large-scale chip designs
☆ BeltCrack: the First Sequential-image Industrial Conveyor Belt Crack Detection Dataset and Its Baseline with Triple-domain Feature Learning
Conveyor belt is a category of important equipments in modern industry, widely applied in production and manufacturing Fields. Its health status is much critical to operation efficiency and safety hazards. Among the factors affecting belt health, crack is often one of the most threatening risks. Currently, considering safety, how to intelligently detect belt cracks is catching an increasing attention. To implement the intelligent detection with machine learning, real crack samples are believed to be necessary. However, existing crack datasets primarily focus on pavement scenarios or synthetic data, no real-world industrial belt crack datasets at all. To propel machine learning advancement in this field, this paper constructs the first sequential-image belt crack detection datasets (BeltCrack14ks and BeltCrack9kd), from real-world factory scenes. Furthermore, to validate usability and effectiveness, we propose a special baseline method with triple-domain (i.e., time-space-frequency) feature hierarchical fusion learning for the two whole-new datasets. Experimental results demonstrate the availability and effectiveness of our dataset. Besides, they also show that our baseline is obviously superior to other similar detection methods. Our datasets and source codes are available at https://github.com/UESTC-nnLab/BeltCrack.
comment: 32 pages, 10 figures
☆ Cloud-Aware SAR Fusion for Enhanced Optical Sensing in Space Missions
Cloud contamination significantly impairs the usability of optical satellite imagery, affecting critical applications such as environmental monitoring, disaster response, and land-use analysis. This research presents a Cloud-Attentive Reconstruction Framework that integrates SAR-optical feature fusion with deep learning-based image reconstruction to generate cloud-free optical imagery. The proposed framework employs an attention-driven feature fusion mechanism to align complementary structural information from Synthetic Aperture Radar (SAR) with spectral characteristics from optical data. Furthermore, a cloud-aware model update strategy introduces adaptive loss weighting to prioritize cloud-occluded regions, enhancing reconstruction accuracy. Experimental results demonstrate that the proposed method outperforms existing approaches, achieving a PSNR of 31.01 dB, SSIM of 0.918, and MAE of 0.017. These outcomes highlight the framework's effectiveness in producing high-fidelity, spatially and spectrally consistent cloud-free optical images.
☆ Choice of Scoring Rules for Indirect Elicitation of Properties with Parametric Assumptions
People are commonly interested in predicting a statistical property of a random event such as mean and variance. Proper scoring rules assess the quality of predictions and require that the expected score gets uniquely maximized at the precise prediction, in which case we call the score directly elicits the property. Previous research work has widely studied the existence and the characterization of proper scoring rules for different properties, but little literature discusses the choice of proper scoring rules for applications at hand. In this paper, we explore a novel task, the indirect elicitation of properties with parametric assumptions, where the target property is a function of several directly-elicitable sub-properties and the total score is a weighted sum of proper scoring rules for each sub-property. Because of the restriction to a parametric model class, different settings for the weights lead to different constrained optimal solutions. Our goal is to figure out how the choice of weights affects the estimation of the target property and which choice is the best. We start it with simulation studies and observe an interesting pattern: in most cases, the optimal estimation of the target property changes monotonically with the increase of each weight, and the best configuration of weights is often to set some weights as zero. To understand how it happens, we first establish the elementary theoretical framework and then provide deeper sufficient conditions for the case of two sub-properties and of more sub-properties respectively. The theory on 2-D cases perfectly interprets the experimental results. In higher-dimensional situations, we especially study the linear cases and suggest that more complex settings can be understood with locally mapping into linear situations or using linear approximations when the true values of sub-properties are close enough to the parametric space.
comment: Key words: proper scoring rules, property elicitation, parametric model estimation. Paper length: 20 pages of main text + 2 pages of references + 21 pages of appendices
☆ DRO-Augment Framework: Robustness by Synergizing Wasserstein Distributionally Robust Optimization and Data Augmentation
In many real-world applications, ensuring the robustness and stability of deep neural networks (DNNs) is crucial, particularly for image classification tasks that encounter various input perturbations. While data augmentation techniques have been widely adopted to enhance the resilience of a trained model against such perturbations, there remains significant room for improvement in robustness against corrupted data and adversarial attacks simultaneously. To address this challenge, we introduce DRO-Augment, a novel framework that integrates Wasserstein Distributionally Robust Optimization (W-DRO) with various data augmentation strategies to improve the robustness of the models significantly across a broad spectrum of corruptions. Our method outperforms existing augmentation methods under severe data perturbations and adversarial attack scenarios while maintaining the accuracy on the clean datasets on a range of benchmark datasets, including but not limited to CIFAR-10-C, CIFAR-100-C, MNIST, and Fashion-MNIST. On the theoretical side, we establish novel generalization error bounds for neural networks trained using a computationally efficient, variation-regularized loss function closely related to the W-DRO problem.
comment: 26 pages,3 figures
☆ Decoding Federated Learning: The FedNAM+ Conformal Revolution
Federated learning has significantly advanced distributed training of machine learning models across decentralized data sources. However, existing frameworks often lack comprehensive solutions that combine uncertainty quantification, interpretability, and robustness. To address this, we propose FedNAM+, a federated learning framework that integrates Neural Additive Models (NAMs) with a novel conformal prediction method to enable interpretable and reliable uncertainty estimation. Our method introduces a dynamic level adjustment technique that utilizes gradient-based sensitivity maps to identify key input features influencing predictions. This facilitates both interpretability and pixel-wise uncertainty estimates. Unlike traditional interpretability methods such as LIME and SHAP, which do not provide confidence intervals, FedNAM+ offers visual insights into prediction reliability. We validate our approach through experiments on CT scan, MNIST, and CIFAR datasets, demonstrating high prediction accuracy with minimal loss (e.g., only 0.1% on MNIST), along with transparent uncertainty measures. Visual analysis highlights variable uncertainty intervals, revealing low-confidence regions where model performance can be improved with additional data. Compared to Monte Carlo Dropout, FedNAM+ delivers efficient and global uncertainty estimates with reduced computational overhead, making it particularly suitable for federated learning scenarios. Overall, FedNAM+ provides a robust, interpretable, and computationally efficient framework that enhances trust and transparency in decentralized predictive modeling.
☆ How Alignment Shrinks the Generative Horizon
Despite their impressive capabilities, aligned large language models (LLMs) often generate outputs that lack diversity. What drives this stability in the generation? We investigate this phenomenon through the lens of probability concentration in the model's output distribution. To quantify this concentration, we introduce the Branching Factor (BF) -- a token-invariant measure of the effective number of plausible next steps during generation. Our empirical analysis reveals two key findings: (1) BF often decreases as generation progresses, suggesting that LLMs become more predictable as they generate. (2) alignment tuning substantially sharpens the model's output distribution from the outset, reducing BF by nearly an order of magnitude (e.g., from 12 to 1.2) relative to base models. This stark reduction helps explain why aligned models often appear less sensitive to decoding strategies. Building on this insight, we find this stability has surprising implications for complex reasoning. Aligned Chain-of-Thought (CoT) models (e.g., DeepSeek-distilled models), for instance, leverage this effect; by generating longer reasoning chains, they push generation into later, more deterministic (lower BF) stages, resulting in more stable outputs. We hypothesize that alignment tuning does not fundamentally change a model's behavior, but instead steers it toward stylistic tokens (e.g., "Sure") that unlock low-entropy trajectories already present in the base model. This view is supported by nudging experiments, which show that prompting base models with such tokens can similarly reduce BF. Together, our findings establish BF as a powerful diagnostic for understanding and controlling LLM outputs - clarifying how alignment reduces variability, how CoT promotes stable generations, and how base models can be steered away from diversity.
comment: Codebase: https://github.com/yangalan123/LLMBranchingFactor, Website: https://yangalan123.github.io/branching_factor/
☆ NestQuant: Post-Training Integer-Nesting Quantization for On-Device DNN
Deploying quantized deep neural network (DNN) models with resource adaptation capabilities on ubiquitous Internet of Things (IoT) devices to provide high-quality AI services can leverage the benefits of compression and meet multi-scenario resource requirements. However, existing dynamic/mixed precision quantization requires retraining or special hardware, whereas post-training quantization (PTQ) has two limitations for resource adaptation: (i) The state-of-the-art PTQ methods only provide one fixed bitwidth model, which makes it challenging to adapt to the dynamic resources of IoT devices; (ii) Deploying multiple PTQ models with diverse bitwidths consumes large storage resources and switching overheads. To this end, this paper introduces a resource-friendly post-training integer-nesting quantization, i.e., NestQuant, for on-device quantized model switching on IoT devices. The proposed NestQuant incorporates the integer weight decomposition, which bit-wise splits quantized weights into higher-bit and lower-bit weights of integer data types. It also contains a decomposed weights nesting mechanism to optimize the higher-bit weights by adaptive rounding and nest them into the original quantized weights. In deployment, we can send and store only one NestQuant model and switch between the full-bit/part-bit model by paging in/out lower-bit weights to adapt to resource changes and reduce consumption. Experimental results on the ImageNet-1K pretrained DNNs demonstrated that the NestQuant model can achieve high performance in top-1 accuracy, and reduce in terms of data transmission, storage consumption, and switching overheads. In particular, the ResNet-101 with INT8 nesting INT6 can achieve 78.1% and 77.9% accuracy for full-bit and part-bit models, respectively, and reduce switching overheads by approximately 78.1% compared with diverse bitwidths PTQ models.
comment: IEEE Transactions on Mobile Computing, accepted manuscript, DOI: 10.1109/TMC.2025.3582583; Code: https://github.com/jianhayes/NESTQUANT
☆ Geometric Contact Flows: Contactomorphisms for Dynamics and Control ICML 2025
Accurately modeling and predicting complex dynamical systems, particularly those involving force exchange and dissipation, is crucial for applications ranging from fluid dynamics to robotics, but presents significant challenges due to the intricate interplay of geometric constraints and energy transfer. This paper introduces Geometric Contact Flows (GFC), a novel framework leveraging Riemannian and Contact geometry as inductive biases to learn such systems. GCF constructs a latent contact Hamiltonian model encoding desirable properties like stability or energy conservation. An ensemble of contactomorphisms then adapts this model to the target dynamics while preserving these properties. This ensemble allows for uncertainty-aware geodesics that attract the system's behavior toward the data support, enabling robust generalization and adaptation to unseen scenarios. Experiments on learning dynamics for physical systems and for controlling robots on interaction tasks demonstrate the effectiveness of our approach.
comment: Accepted at ICML 2025
♻ ☆ BLAZE: Cross-Language and Cross-Project Bug Localization via Dynamic Chunking and Hard Example Learning
Software bugs require developers to exert significant effort to identify and resolve them, often consuming about one-third of their time. Bug localization, the process of pinpointing the exact source code files that need modification, is crucial in reducing this effort. Existing bug localization tools, typically reliant on deep learning techniques, face limitations in cross-project applicability and effectiveness in multi-language environments. Recent advancements with Large Language Models (LLMs) offer detailed representations for bug localization. However, they encounter challenges with limited context windows and mapping accuracy. To address these issues, we propose BLAZE, an approach that employs dynamic chunking and hard example learning. First, BLAZE dynamically segments source code to minimize continuity loss. Then, BLAZE fine-tunes a GPT-based model using challenging bug cases, in order to enhance cross-project and cross-language bug localization. To support the capability of BLAZE, we create the BEETLEBOX dataset, which comprises 26,321 bugs from 29 large and thriving open-source projects across five different programming languages (Java, C++, Python, Go, and JavaScript). Our evaluations of BLAZE on three benchmark datasets BEETLEBOX, SWE-Bench, and Ye et al. demonstrate substantial improvements compared to six state-of-the-art baselines. Specifically, BLAZE achieves up to an increase of 120% in Top 1 accuracy, 144% in Mean Average Precision (MAP), and 100% in Mean Reciprocal Rank (MRR). An extensive ablation study confirms the contributions of our pipeline components to the overall performance enhancement.
♻ ☆ Data-driven Discovery of Biophysical T Cell Receptor Co-specificity Rules
The biophysical interactions between the T cell receptor (TCR) and its ligands determine the specificity of the cellular immune response. However, the immense diversity of receptors and ligands has made it challenging to discover generalizable rules across the distinct binding affinity landscapes created by different ligands. Here, we present an optimization framework for discovering biophysical rules that predict whether TCRs share specificity to a ligand. Applying this framework to TCRs associated with a collection of SARS-CoV-2 peptides we systematically characterize how co-specificity depends on the type and position of amino-acid differences between receptors. We also demonstrate that the inferred rules generalize to ligands highly dissimilar to any seen during training. Our analysis reveals that matching of steric properties between substituted amino acids is more important for receptor co-specificity than the hydrophobic properties that prominently determine evolutionary substitutability. Our analysis also quantifies the substantial importance of positions not in direct contact with the peptide for specificity. These findings highlight the potential for data-driven approaches to uncover the molecular mechanisms underpinning the specificity of adaptive immune responses.
comment: 18 pages, 12 figures (accepted in PRX Life)
♻ ☆ Stabilizing Temporal Difference Learning via Implicit Stochastic Recursion
Temporal difference (TD) learning is a foundational algorithm in reinforcement learning (RL). For nearly forty years, TD learning has served as a workhorse for applied RL as well as a building block for more complex and specialized algorithms. However, despite its widespread use, TD procedures are generally sensitive to step size specification. A poor choice of step size can dramatically increase variance and slow convergence in both on-policy and off-policy evaluation tasks. In practice, researchers use trial and error to identify stable step sizes, but these approaches tend to be ad hoc and inefficient. As an alternative, we propose implicit TD algorithms that reformulate TD updates into fixed point equations. Such updates are more stable and less sensitive to step size without sacrificing computational efficiency. Moreover, we derive asymptotic convergence guarantees and finite-time error bounds for our proposed implicit TD algorithms, which include implicit TD(0), TD($\lambda$), and TD with gradient correction (TDC). Our results show that implicit TD algorithms are applicable to a much broader range of step sizes, and thus provide a robust and versatile framework for policy evaluation and value approximation in modern RL tasks. We demonstrate these benefits empirically through extensive numerical examples spanning both on-policy and off-policy tasks.
comment: A substantial amount of content has been added regarding the theory and numerical experiments of the implicit version of temporal difference learning with gradient correction (TDC), which is newly proposed in this manuscript
♻ ☆ Hallucination-Aware Multimodal Benchmark for Gastrointestinal Image Analysis with Large Vision-Language Models MICCAI 2025
Vision-Language Models (VLMs) are becoming increasingly popular in the medical domain, bridging the gap between medical images and clinical language. Existing VLMs demonstrate an impressive ability to comprehend medical images and text queries to generate detailed, descriptive diagnostic medical reports. However, hallucination--the tendency to generate descriptions that are inconsistent with the visual content--remains a significant issue in VLMs, with particularly severe implications in the medical field. To facilitate VLM research on gastrointestinal (GI) image analysis and study hallucination, we curate a multimodal image-text GI dataset: Gut-VLM. This dataset is created using a two-stage pipeline: first, descriptive medical reports of Kvasir-v2 images are generated using ChatGPT, which introduces some hallucinated or incorrect texts. In the second stage, medical experts systematically review these reports, and identify and correct potential inaccuracies to ensure high-quality, clinically reliable annotations. Unlike traditional datasets that contain only descriptive texts, our dataset also features tags identifying hallucinated sentences and their corresponding corrections. A common approach to reducing hallucination in VLM is to finetune the model on a small-scale, problem-specific dataset. However, we take a different strategy using our dataset. Instead of finetuning the VLM solely for generating textual reports, we finetune it to detect and correct hallucinations, an approach we call hallucination-aware finetuning. Our results show that this approach is better than simply finetuning for descriptive report generation. Additionally, we conduct an extensive evaluation of state-of-the-art VLMs across several metrics, establishing a benchmark. GitHub Repo: https://github.com/bhattarailab/Hallucination-Aware-VLM.
comment: Accepted at MICCAI 2025
♻ ☆ Fast and Accurate Power Load Data Completion via Regularization-optimized Low-Rank Factorization
Low-rank representation learning has emerged as a powerful tool for recovering missing values in power load data due to its ability to exploit the inherent low-dimensional structures of spatiotemporal measurements. Among various techniques, low-rank factorization models are favoured for their efficiency and interpretability. However, their performance is highly sensitive to the choice of regularization parameters, which are typically fixed or manually tuned, resulting in limited generalization capability or slow convergence in practical scenarios. In this paper, we propose a Regularization-optimized Low-Rank Factorization, which introduces a Proportional-Integral-Derivative controller to adaptively adjust the regularization coefficient. Furthermore, we provide a detailed algorithmic complexity analysis, showing that our method preserves the computational efficiency of stochastic gradient descent while improving adaptivity. Experimental results on real-world power load datasets validate the superiority of our method in both imputation accuracy and training efficiency compared to existing baselines.
♻ ☆ One-Step is Enough: Sparse Autoencoders for Text-to-Image Diffusion Models
For large language models (LLMs), sparse autoencoders (SAEs) have been shown to decompose intermediate representations that often are not interpretable directly into sparse sums of interpretable features, facilitating better control and subsequent analysis. However, similar analyses and approaches have been lacking for text-to-image models. We investigate the possibility of using SAEs to learn interpretable features for SDXL Turbo, a few-step text-to-image diffusion model. To this end, we train SAEs on the updates performed by transformer blocks within SDXL Turbo's denoising U-net in its 1-step setting. Interestingly, we find that they generalize to 4-step SDXL Turbo and even to the multi-step SDXL base model (i.e., a different model) without additional training. In addition, we show that their learned features are interpretable, causally influence the generation process, and reveal specialization among the blocks. We do so by creating RIEBench, a representation-based image editing benchmark, for editing images while they are generated by turning on and off individual SAE features. This allows us to track which transformer blocks' features are the most impactful depending on the edit category. Our work is the first investigation of SAEs for interpretability in text-to-image diffusion models and our results establish SAEs as a promising approach for understanding and manipulating the internal mechanisms of text-to-image models.
♻ ☆ Multi-Agent Soft Actor-Critic with Coordinated Loss for Autonomous Mobility-on-Demand Fleet Control
We study a sequential decision-making problem for a profit-maximizing operator of an autonomous mobility-on-demand system. Optimizing a central operator's vehicle-to-request dispatching policy requires efficient and effective fleet control strategies. To this end, we employ a multi-agent Soft Actor-Critic algorithm combined with weighted bipartite matching. We propose a novel vehicle-based algorithm architecture and adapt the critic's loss function to appropriately consider coordinated actions. Furthermore, we extend our algorithm to incorporate rebalancing capabilities. Through numerical experiments, we show that our approach outperforms state-of-the-art benchmarks by up to 12.9% for dispatching and up to 38.9% with integrated rebalancing.
♻ ☆ Enhancing LLM Knowledge Learning through Generalization
As Large language models (LLMs) are increasingly deployed in diverse applications, faithfully integrating evolving factual knowledge into these models remains a critical challenge. Continued pre-training on paraphrased data has shown empirical promise for enhancing knowledge acquisition. However, this approach is often costly and unreliable, as it relies on external models or manual effort for rewriting, and may inadvertently alter the factual content. In this work, we hypothesize and empirically show that an LLM's ability to continually predict the same factual knowledge tokens given diverse paraphrased contexts is positively correlated with its capacity to extract that knowledge via question-answering. Based on this view and aiming to improve generalization to diverse paraphrased contexts, we introduce two strategies to enhance LLMs' ability to predict the same knowledge tokens given varied contexts, thereby enhancing knowledge acquisition. First, we propose formatting-based data augmentation, which diversifies documents conveying the same knowledge by altering document formats rather than their content, thereby preserving factual integrity. Second, we adopt sharpness-aware minimization as the optimizer to better improve generalization. Extensive experiments demonstrate our methods' effectiveness in both continued pre-training and instruction tuning, and further gains can be achieved by combining with paraphrased data.
♻ ☆ Supercharging Graph Transformers with Advective Diffusion ICML 2025
The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how machine learning models generalize under topological shifts. This paper proposes Advective Diffusion Transformer (AdvDIFFormer), a physics-inspired graph Transformer model designed to address this challenge. The model is derived from advective diffusion equations which describe a class of continuous message passing process with observed and latent topological structures. We show that AdvDIFFormer has provable capability for controlling generalization error with topological shifts, which in contrast cannot be guaranteed by graph diffusion models, i.e., the generalized formulation of common graph neural networks in continuous space. Empirically, the model demonstrates superiority in various predictive tasks across information networks, molecular screening and protein interactions.
comment: Accepted to ICML 2025
♻ ☆ On the fast convergence of minibatch heavy ball momentum
Simple stochastic momentum methods are widely used in machine learning optimization, but their good practical performance is at odds with an absence of theoretical guarantees of acceleration in the literature. In this work, we aim to close the gap between theory and practice by showing that stochastic heavy ball momentum retains the fast linear rate of (deterministic) heavy ball momentum on quadratic optimization problems, at least when minibatching with a sufficiently large batch size. The algorithm we study can be interpreted as an accelerated randomized Kaczmarz algorithm with minibatching and heavy ball momentum. The analysis relies on carefully decomposing the momentum transition matrix, and using new spectral norm concentration bounds for products of independent random matrices. We provide numerical illustrations demonstrating that our bounds are reasonably sharp.
comment: update to match journal version
♻ ☆ Bridging Geometric Diffusion and Energy Minimization: A Unified Framework for Neural Message Passing ICLR 2023
Learning representations for structured data with certain geometries (e.g., observed or unobserved) is a fundamental challenge, wherein message passing neural networks (MPNNs) have become a de facto class of model solutions. In this paper, we propose an energy-constrained diffusion model as a principled mathematical framework for understanding the mechanism of MPNNs and navigating novel architectural designs. Inspired by physical systems, the model combines the inductive bias of diffusion on manifolds with layer-wise constraints of energy minimization. We identify that the diffusion operators have a one-to-one correspondence with the energy functions implicitly descended by the diffusion process, and the finite-difference iteration for solving the energy-constrained diffusion system induces the propagation layers of various types of MPNNs operating on observed or latent structures. This leads to a unified perspective on common neural architectures whose computational flows can be cast as message passing (or its special case), including MLP, GCN, GIN, APPNP, GCNII, GAT, and Transformers. Building on these insights, we devise a new class of neural message passing models, dubbed diffusion-inspired Transformers, whose global attention layers are derived from the principled energy-constrained diffusion framework. Across diverse datasets, ranging from real-world networks to images, texts, and physical particles, we demonstrate that the new model achieves promising performance in scenarios where the data structures are observed (as a graph), partially observed, or entirely unobserved.
comment: Accepted to Journal of Machine Learning Research (JMLR). Extended version from DIFFormer in ICLR 2023
♻ ☆ Stable and consistent density-based clustering via multiparameter persistence
We consider the degree-Rips construction from topological data analysis, which provides a density-sensitive, multiparameter hierarchical clustering algorithm. We analyze its stability to perturbations of the input data using the correspondence-interleaving distance, a metric for hierarchical clusterings that we introduce. Taking certain one-parameter slices of degree-Rips recovers well-known methods for density-based clustering, but we show that these methods are unstable. However, we prove that degree-Rips, as a multiparameter object, is stable, and we propose an alternative approach for taking slices of degree-Rips, which yields a one-parameter hierarchical clustering algorithm with better stability properties. We prove that this algorithm is consistent, using the correspondence-interleaving distance. We provide an algorithm for extracting a single clustering from one-parameter hierarchical clusterings, which is stable with respect to the correspondence-interleaving distance. And, we integrate these methods into a pipeline for density-based clustering, which we call Persistable. Adapting tools from multiparameter persistent homology, we propose visualization tools that guide the selection of all parameters of the pipeline. We demonstrate Persistable on benchmark data sets, showing that it identifies multi-scale cluster structure in data.
comment: 74 pages, 16 figures, 5 tables. v4: improvements to exposition
♻ ☆ Unsupervised risk factor identification across cancer types and data modalities via explainable artificial intelligence
Risk stratification is a key tool in clinical decision-making, yet current approaches often fail to translate sophisticated survival analysis into actionable clinical criteria. We present a novel method for unsupervised machine learning that directly optimizes for survival heterogeneity across patient clusters through a differentiable adaptation of the multivariate logrank statistic. Unlike most existing methods that rely on proxy metrics, our approach represents novel methodology for training any neural network architecture on any data modality to identify prognostically distinct patient groups. We thoroughly evaluate the method in simulation experiments and demonstrate its utility in practice by applying it to two distinct cancer types: analyzing laboratory parameters from multiple myeloma patients and computed tomography images from non-small cell lung cancer patients, identifying prognostically distinct patient subgroups with significantly different survival outcomes in both cases. Post-hoc explainability analyses uncover clinically meaningful features determining the group assignments which align well with established risk factors and thus lend strong weight to the methods utility. This pan-cancer, model-agnostic approach represents a valuable advancement in clinical risk stratification, enabling the discovery of novel prognostic signatures across diverse data types while providing interpretable results that promise to complement treatment personalization and clinical decision-making in oncology and beyond.
♻ ☆ SD-KDE: Score-Debiased Kernel Density Estimation ICLR 2025
We propose a novel method for density estimation that leverages an estimated score function to debias kernel density estimation (SD-KDE). In our approach, each data point is adjusted by taking a single step along the score function with a specific choice of step size, followed by standard KDE with a modified bandwidth. The step size and modified bandwidth are chosen to remove the leading order bias in the KDE. Our experiments on synthetic tasks in 1D, 2D and on MNIST, demonstrate that our proposed SD-KDE method significantly reduces the mean integrated squared error compared to the standard Silverman KDE, even with noisy estimates in the score function. These results underscore the potential of integrating score-based corrections into nonparametric density estimation.
comment: ICLR 2025 Workshop on Frontiers of Probabilistic Inference
♻ ☆ MalPurifier: Enhancing Android Malware Detection with Adversarial Purification against Evasion Attacks
Machine learning (ML) has gained significant adoption in Android malware detection to address the escalating threats posed by the rapid proliferation of malware attacks. However, recent studies have revealed the inherent vulnerabilities of ML-based detection systems to evasion attacks. While efforts have been made to address this critical issue, many of the existing defensive methods encounter challenges such as lower effectiveness or reduced generalization capabilities. In this paper, we introduce MalPurifier, a novel adversarial purification framework specifically engineered for Android malware detection. Specifically, MalPurifier integrates three key innovations: a diversified adversarial perturbation mechanism for robustness and generalizability, a protective noise injection strategy for benign data integrity, and a Denoising AutoEncoder (DAE) with a dual-objective loss for accurate purification and classification. Extensive experiments on two large-scale datasets demonstrate that MalPurifier significantly outperforms state-of-the-art defenses. It robustly defends against a comprehensive set of 37 perturbation-based evasion attacks, consistently achieving robust accuracies above 90.91%. As a lightweight, model-agnostic, and plug-and-play module, MalPurifier offers a practical and effective solution to bolster the security of ML-based Android malware detectors.
comment: 17 pages; Major Revision for IEEE TDSC
♻ ☆ Active Fine-Tuning of Multi-Task Policies
Pre-trained generalist policies are rapidly gaining relevance in robot learning due to their promise of fast adaptation to novel, in-domain tasks. This adaptation often relies on collecting new demonstrations for a specific task of interest and applying imitation learning algorithms, such as behavioral cloning. However, as soon as several tasks need to be learned, we must decide which tasks should be demonstrated and how often? We study this multi-task problem and explore an interactive framework in which the agent adaptively selects the tasks to be demonstrated. We propose AMF (Active Multi-task Fine-tuning), an algorithm to maximize multi-task policy performance under a limited demonstration budget by collecting demonstrations yielding the largest information gain on the expert policy. We derive performance guarantees for AMF under regularity assumptions and demonstrate its empirical effectiveness to efficiently fine-tune neural policies in complex and high-dimensional environments.
♻ ☆ PREMAP: A Unifying PREiMage APproximation Framework for Neural Networks
Most methods for neural network verification focus on bounding the image, i.e., set of outputs for a given input set. This can be used to, for example, check the robustness of neural network predictions to bounded perturbations of an input. However, verifying properties concerning the preimage, i.e., the set of inputs satisfying an output property, requires abstractions in the input space. We present a general framework for preimage abstraction that produces under- and over-approximations of any polyhedral output set. Our framework employs cheap parameterised linear relaxations of the neural network, together with an anytime refinement procedure that iteratively partitions the input region by splitting on input features and neurons. The effectiveness of our approach relies on carefully designed heuristics and optimization objectives to achieve rapid improvements in the approximation volume. We evaluate our method on a range of tasks, demonstrating significant improvement in efficiency and scalability to high-input-dimensional image classification tasks compared to state-of-the-art techniques. Further, we showcase the application to quantitative verification and robustness analysis, presenting a sound and complete algorithm for the former and providing sound quantitative results for the latter.
comment: arXiv admin note: text overlap with arXiv:2305.03686
♻ ☆ Cramming 1568 Tokens into a Single Vector and Back Again: Exploring the Limits of Embedding Space Capacity ACL 2025
A range of recent works addresses the problem of compression of sequence of tokens into a shorter sequence of real-valued vectors to be used as inputs instead of token embeddings or key-value cache. These approaches are focused on reduction of the amount of compute in existing language models rather than minimization of number of bits needed to store text. Despite relying on powerful models as encoders, the maximum attainable lossless compression ratio is typically not higher than x10. This fact is highly intriguing because, in theory, the maximum information capacity of large real-valued vectors is far beyond the presented rates even for 16-bit precision and a modest vector size. In this work, we explore the limits of compression by replacing the encoder with a per-sample optimization procedure. We show that vectors with compression ratios up to x1500 exist, which highlights two orders of magnitude gap between existing and practically attainable solutions. Furthermore, we empirically show that the compression limits are determined not by the length of the input but by the amount of uncertainty to be reduced, namely, the cross-entropy loss on this sequence without any conditioning. The obtained limits highlight the substantial gap between the theoretical capacity of input embeddings and their practical utilization, suggesting significant room for optimization in model design.
comment: ACL 2025 (main conference)
♻ ☆ Rumor Detection on Social Media with Reinforcement Learning-based Key Propagation Graph Generator
The spread of rumors on social media, particularly during significant events like the US elections and the COVID-19 pandemic, poses a serious threat to social stability and public health. Current rumor detection methods primarily rely on propagation graphs to improve the model performance. However, the effectiveness of these methods is often compromised by noisy and irrelevant structures in the propagation process. To tackle this issue, techniques such as weight adjustment and data augmentation have been proposed. However, they depend heavily on rich original propagation structures, limiting their effectiveness in handling rumors that lack sufficient propagation information, especially in the early stages of dissemination. In this work, we introduce the Key Propagation Graph Generator (KPG), a novel reinforcement learning-based framework, that generates contextually coherent and informative propagation patterns for events with insufficient topology information and identifies significant substructures in events with redundant and noisy propagation structures. KPG comprises two key components: the Candidate Response Generator (CRG) and the Ending Node Selector (ENS). CRG learns latent variable distributions from refined propagation patterns to eliminate noise and generate new candidates for ENS, while ENS identifies the most influential substructures in propagation graphs and provides training data for CRG. Furthermore, we develop an end-to-end framework that utilizes rewards derived from a pre-trained graph neural network to guide the training process. The resulting key propagation graphs are then employed in downstream rumor detection tasks. Extensive experiments conducted on four datasets demonstrate that KPG outperforms current state-of-the-art methods.
♻ ☆ Bayesian Theory of Consciousness as Exchangeable Emotion-Cognition Inference
This paper proposes a unified framework in which consciousness emerges as a cycle-consistent, affectively anchored inference process, recursively structured by the interaction of emotion and cognition. Drawing from information theory, optimal transport, and the Bayesian brain hypothesis, we formalize emotion as a low-dimensional structural prior and cognition as a specificity-instantiating update. This emotion-cognition cycle minimizes joint uncertainty by aligning emotionally weighted priors with context-sensitive cognitive appraisals. Subjective experience thus arises as the informational footprint of temporally extended, affect-modulated simulation. We introduce the Exchangeable Integration Theory of Consciousness (EITC), modeling conscious episodes as conditionally exchangeable samples drawn from a latent affective self-model. This latent variable supports integration, via a unified cause-effect structure with nonzero irreducibility, and differentiation, by preserving contextual specificity across episodes. We connect this architecture to the Bayesian theory of consciousness through Rao-Blackwellized inference, which stabilizes inference by marginalizing latent self-structure while enabling adaptive updates. This mechanism ensures coherence, prevents inference collapse, and supports goal-directed simulation. The formal framework builds on De Finetti's exchangeability theorem, integrated information theory, and KL-regularized optimal transport. Overall, consciousness is reframed as a recursive inference process, shaped by emotion, refined by cognition, stabilized through exchangeability, and unified through a latent self-model that integrates experience across time.
♻ ☆ FinGPT: Enhancing Sentiment-Based Stock Movement Prediction with Dissemination-Aware and Context-Enriched LLMs AAAI 2025
Financial sentiment analysis is crucial for understanding the influence of news on stock prices. Recently, large language models (LLMs) have been widely adopted for this purpose due to their advanced text analysis capabilities. However, these models often only consider the news content itself, ignoring its dissemination, which hampers accurate prediction of short-term stock movements. Additionally, current methods often lack sufficient contextual data and explicit instructions in their prompts, limiting LLMs' ability to interpret news. In this paper, we propose a data-driven approach that enhances LLM-powered sentiment-based stock movement predictions by incorporating news dissemination breadth, contextual data, and explicit instructions. We cluster recent company-related news to assess its reach and influence, enriching prompts with more specific data and precise instructions. This data is used to construct an instruction tuning dataset to fine-tune an LLM for predicting short-term stock price movements. Our experimental results show that our approach improves prediction accuracy by 8\% compared to existing methods.
comment: 1st Workshop on Preparing Good Data for Generative AI: Challenges and Approaches@ AAAI 2025, ai4finance.org
♻ ☆ Hierarchical Decision Making Based on Structural Information Principles
Hierarchical Reinforcement Learning (HRL) is a promising approach for managing task complexity across multiple levels of abstraction and accelerating long-horizon agent exploration. However, the effectiveness of hierarchical policies heavily depends on prior knowledge and manual assumptions about skill definitions and task decomposition. In this paper, we propose a novel Structural Information principles-based framework, namely SIDM, for hierarchical Decision Making in both single-agent and multi-agent scenarios. Central to our work is the utilization of structural information embedded in the decision-making process to adaptively and dynamically discover and learn hierarchical policies through environmental abstractions. Specifically, we present an abstraction mechanism that processes historical state-action trajectories to construct abstract representations of states and actions. We define and optimize directed structural entropy, a metric quantifying the uncertainty in transition dynamics between abstract states, to discover skills that capture key transition patterns in RL environments. Building on these findings, we develop a skill-based learning method for single-agent scenarios and a role-based collaboration method for multi-agent scenarios, both of which can flexibly integrate various underlying algorithms for enhanced performance. Extensive evaluations on challenging benchmarks demonstrate that our framework significantly and consistently outperforms state-of-the-art baselines, improving the effectiveness, efficiency, and stability of policy learning by up to 32.70%, 64.86%, and 88.26%, respectively, as measured by average rewards, convergence timesteps, and standard deviations.
comment: Submitted to JMLR
♻ ☆ FLARE: Toward Universal Dataset Purification against Backdoor Attacks
Deep neural networks (DNNs) are susceptible to backdoor attacks, where adversaries poison datasets with adversary-specified triggers to implant hidden backdoors, enabling malicious manipulation of model predictions. Dataset purification serves as a proactive defense by removing malicious training samples to prevent backdoor injection at its source. We first reveal that the current advanced purification methods rely on a latent assumption that the backdoor connections between triggers and target labels in backdoor attacks are simpler to learn than the benign features. We demonstrate that this assumption, however, does not always hold, especially in all-to-all (A2A) and untargeted (UT) attacks. As a result, purification methods that analyze the separation between the poisoned and benign samples in the input-output space or the final hidden layer space are less effective. We observe that this separability is not confined to a single layer but varies across different hidden layers. Motivated by this understanding, we propose FLARE, a universal purification method to counter various backdoor attacks. FLARE aggregates abnormal activations from all hidden layers to construct representations for clustering. To enhance separation, FLARE develops an adaptive subspace selection algorithm to isolate the optimal space for dividing an entire dataset into two clusters. FLARE assesses the stability of each cluster and identifies the cluster with higher stability as poisoned. Extensive evaluations on benchmark datasets demonstrate the effectiveness of FLARE against 22 representative backdoor attacks, including all-to-one (A2O), all-to-all (A2A), and untargeted (UT) attacks, and its robustness to adaptive attacks. Codes are available at \href{https://github.com/THUYimingLi/BackdoorBox}{BackdoorBox} and \href{https://github.com/vtu81/backdoor-toolbox}{backdoor-toolbox}.
comment: 15 pages, This paper is accepted and will appear in TIFS (CCF-A)
♻ ☆ POPGym Arcade: Parallel Pixelated POMDPs
We present the POPGym Arcade, a collection of hardware-accelerated, pixel-based environments with shared observation and action spaces. Each environment includes fully and partially observable variants, enabling counterfactual studies on partial observability. We also introduce mathematical tools for analyzing policies under partial observability, which reveal how agents recall past information to make decisions. Our analysis shows (1) that controlling for partial observability is critical and (2) that agents with long-term memory learn brittle policies that struggle to generalize. Finally, we demonstrate that recurrent policies can be "poisoned" by old, out-of-distribution observations, with implications for sim-to-real transfer, imitation learning, and offline reinforcement learning.
♻ ☆ Learning from Reference Answers: Versatile Language Model Alignment without Binary Human Preference Data
Large language models~(LLMs) are expected to be helpful, harmless, and honest. In alignment scenarios such as safety, confidence, and general preference alignment, binary preference data collection and reward modeling are resource-intensive but essential for transferring human preference. In this work, we explore using the similarity between sampled generations and high-quality reference answers as an alternative reward function choice for LLM alignment. Similarity reward circumvents binary preference data collection and reward modeling when unary high-quality reference answers are available. We introduce \textit{RefAlign}, a versatile REINFORCE-style alignment algorithm that does not rely on reference or reward models. RefAlign utilizes similarity metrics, such as BERTScore between sampled generations and reference answers as surrogate rewards. Beyond general human preference optimization, RefAlign can be readily extended to diverse scenarios, such as safety and confidence alignment, by incorporating the similarity reward with task-related objectives. In various scenarios, RefAlign demonstrates comparable performance to previous alignment methods without binary preference data and reward models.
comment: work in progress
♻ ☆ AlphaDecay: Module-wise Weight Decay for Heavy-Tailed Balancing in LLMs
Weight decay is a standard regularization technique for training large language models (LLMs). While it is common to assign a uniform decay rate to every layer, this approach overlooks the structural diversity of LLMs and the varying spectral properties across modules. In this paper, we introduce AlphaDecay, a simple yet effective method that adaptively assigns different weight decay strengths to each module of an LLM. Our approach is guided by Heavy-Tailed Self-Regularization (HT-SR) theory, which analyzes the empirical spectral density (ESD) of weight correlation matrices to quantify "heavy-tailedness." Modules exhibiting more pronounced heavy-tailed ESDs, reflecting stronger feature learning, are assigned weaker decay, while modules with lighter-tailed spectra receive stronger decay. Our method leverages tailored weight decay assignments to balance the module-wise differences in spectral properties, leading to improved performance. Extensive pre-training tasks with various model sizes from 60M to 1B demonstrate that AlphaDecay achieves better perplexity and generalization than conventional uniform decay and other adaptive decay baselines. Our code is available at https://github.com/hed-ucas/AlphaDecay.
♻ ☆ EDA-DM: Enhanced Distribution Alignment for Post-Training Quantization of Diffusion Models
Diffusion models have achieved great success in image generation tasks. However, the lengthy denoising process and complex neural networks hinder their low-latency applications in real-world scenarios. Quantization can effectively reduce model complexity, and post-training quantization (PTQ), which does not require fine-tuning, is highly promising for compressing and accelerating diffusion models. Unfortunately, we find that due to the highly dynamic activations, existing PTQ methods suffer from distribution mismatch issues at both calibration sample level and reconstruction output level, which makes the performance far from satisfactory. In this paper, we propose EDA-DM, a standardized PTQ method that efficiently addresses the above issues. Specifically, at the calibration sample level, we extract information from the density and diversity of latent space feature maps, which guides the selection of calibration samples to align with the overall sample distribution; and at the reconstruction output level, we theoretically analyze the reasons for previous reconstruction failures and, based on this insight, optimize block reconstruction using the Hessian loss of layers, aligning the outputs of quantized model and full-precision model at different network granularity. Extensive experiments demonstrate that EDA-DM significantly outperforms the existing PTQ methods across various models and datasets. Our method achieves a 1.83 times speedup and 4 times compression for the popular Stable-Diffusion on MS-COCO, with only a 0.05 loss in CLIP score. Code is available at http://github.com/BienLuky/EDA-DM .
comment: Code: http://github.com/BienLuky/EDA-DM
♻ ☆ A Coverage-Guided Testing Framework for Quantum Neural Networks
Quantum Neural Networks (QNNs) integrate quantum computing and deep neural networks, leveraging quantum properties like superposition and entanglement to enhance machine learning algorithms. These characteristics enable QNNs to outperform classical neural networks in tasks such as quantum chemistry simulations, optimization problems, and quantum-enhanced machine learning. Despite their early success, their reliability and safety issues have posed threats to their applicability. However, due to the inherently non-classical nature of quantum mechanics, verifying QNNs poses significant challenges. To address this, we propose QCov, a set of test coverage criteria specifically designed to systematically evaluate QNN state exploration during testing, with an emphasis on superposition. These criteria help evaluate test diversity and detect underlying defects within test suites. Extensive experiments on benchmark datasets and QNN models validate QCov's effectiveness in reflecting test quality, guiding fuzz testing efficiently, and thereby improving QNN robustness. We also evaluate sampling costs of QCov under realistic quantum scenarios to justify its practical feasibility. Finally, the effects of unrepresentative training data distribution and parameter choice are further explored.
♻ ☆ Reinforcement Learning Teachers of Test Time Scaling
Training reasoning language models (LMs) with reinforcement learning (RL) for one-hot correctness inherently relies on the LM being able to explore and solve its task with some chance at initialization. Furthermore, a key use case of reasoning LMs is to act as teachers for distilling new students and cold-starting future RL iterations rather than being deployed themselves. From these considerations, we introduce a new framework that avoids RL's exploration challenge by training a new class of Reinforcement-Learned Teachers (RLTs) focused on yielding the most effective downstream distillation. RLTs are prompted with both the question and solution to each problem, and tasked to simply "connect-the-dots" with detailed explanations tailored for their students. We train RLTs with dense rewards obtained by feeding each explanation to the student and testing its understanding of the problem's solution. In practice, the raw outputs of a 7B RLT provide higher final performance on competition and graduate-level tasks than existing distillation and cold-starting pipelines that collect and postprocess the reasoning traces of orders of magnitude larger LMs. Furthermore, RLTs maintain their effectiveness when training larger students and when applied zero-shot to out-of-distribution tasks, unlocking new levels of efficiency and re-usability for the RL reasoning framework.
comment: Code available at: https://github.com/SakanaAI/RLT
♻ ☆ AnyEnhance: A Unified Generative Model with Prompt-Guidance and Self-Critic for Voice Enhancement
We introduce AnyEnhance, a unified generative model for voice enhancement that processes both speech and singing voices. Based on a masked generative model, AnyEnhance is capable of handling both speech and singing voices, supporting a wide range of enhancement tasks including denoising, dereverberation, declipping, super-resolution, and target speaker extraction, all simultaneously and without fine-tuning. AnyEnhance introduces a prompt-guidance mechanism for in-context learning, which allows the model to natively accept a reference speaker's timbre. In this way, it could boost enhancement performance when a reference audio is available and enable the target speaker extraction task without altering the underlying architecture. Moreover, we also introduce a self-critic mechanism into the generative process for masked generative models, yielding higher-quality outputs through iterative self-assessment and refinement. Extensive experiments on various enhancement tasks demonstrate AnyEnhance outperforms existing methods in terms of both objective metrics and subjective listening tests. Demo audios are publicly available at https://amphionspace.github.io/anyenhance/.
comment: Accepted by IEEE/ACM Transactions on Audio, Speech, and Language Processing (TASLP) 2025
♻ ☆ Leveraging Model Guidance to Extract Training Data from Personalized Diffusion Models ICML
Diffusion Models (DMs) have become powerful image generation tools, especially for few-shot fine-tuning where a pretrained DM is fine-tuned on a small image set to capture specific styles or objects. Many people upload these personalized checkpoints online, fostering communities such as Civitai and HuggingFace. However, model owners may overlook the data leakage risks when releasing fine-tuned checkpoints. Moreover, concerns regarding copyright violations arise when unauthorized data is used during fine-tuning. In this paper, we ask: "Can training data be extracted from these fine-tuned DMs shared online?" A successful extraction would present not only data leakage threats but also offer tangible evidence of copyright infringement. To answer this, we propose FineXtract, a framework for extracting fine-tuning data. Our method approximates fine-tuning as a gradual shift in the model's learned distribution -- from the original pretrained DM toward the fine-tuning data. By extrapolating the models before and after fine-tuning, we guide the generation toward high-probability regions within the fine-tuned data distribution. We then apply a clustering algorithm to extract the most probable images from those generated using this extrapolated guidance. Experiments on DMs fine-tuned with datasets including WikiArt, DreamBooth, and real-world checkpoints posted online validate the effectiveness of our method, extracting about 20% of fine-tuning data in most cases. The code is available https://github.com/Nicholas0228/FineXtract.
comment: Accepted at the International Conference on Machine Learning (ICML) 2025
♻ ☆ Unveiling Molecular Moieties through Hierarchical Grad-CAM Graph Explainability
Background: Virtual Screening (VS) has become an essential tool in drug discovery, enabling the rapid and cost-effective identification of potential bioactive molecules. Among recent advancements, Graph Neural Networks (GNNs) have gained prominence for their ability to model complex molecular structures using graph-based representations. However, the integration of explainable methods to elucidate the specific contributions of molecular substructures to biological activity remains a significant challenge. This limitation hampers both the interpretability of predictive models and the rational design of novel therapeutics. Results: We trained 20 GNN models on a dataset of small molecules with the goal of predicting their activity on 20 distinct protein targets from the Kinase family. These classifiers achieved state-of-the-art performance in virtual screening tasks, demonstrating high accuracy and robustness on different targets. Building upon these models, we implemented the Hierarchical Grad-CAM graph Explainer (HGE) framework, enabling an in-depth analysis of the molecular moieties driving protein-ligand binding stabilization. HGE exploits Grad-CAM explanations at the atom, ring, and whole-molecule levels, leveraging the message-passing mechanism to highlight the most relevant chemical moieties. Validation against experimental data from the literature confirmed the ability of the explainer to recognize a molecular pattern of drugs and correctly annotate them to the known target. Conclusion: Our approach may represent a valid support to shorten both the screening and the hit discovery process. Detailed knowledge of the molecular substructures that play a role in the binding process can help the computational chemist to gain insights into the structure optimization, as well as in drug repurposing tasks.
♻ ☆ Improving the Efficiency of Long Document Classification using Sentence Ranking Approach
Long document classification poses challenges due to the computational limitations of transformer-based models, particularly BERT, which are constrained by fixed input lengths and quadratic attention complexity. Moreover, using the full document for classification is often redundant, as only a subset of sentences typically carries the necessary information. To address this, we propose a TF-IDF-based sentence ranking method that improves efficiency by selecting the most informative content. Our approach explores fixed-count and percentage-based sentence selection, along with an enhanced scoring strategy combining normalized TF-IDF scores and sentence length. Evaluated on the MahaNews LDC dataset of long Marathi news articles, the method consistently outperforms baselines such as first, last, and random sentence selection. With MahaBERT-v2, we achieve near-identical classification accuracy with just a 0.33 percent drop compared to the full-context baseline, while reducing input size by over 50 percent and inference latency by 43 percent. This demonstrates that significant context reduction is possible without sacrificing performance, making the method practical for real-world long document classification tasks.
♻ ☆ A real-time anomaly detection method for robots based on a flexible and sparse latent space
The growing demand for robots to operate effectively in diverse environments necessitates the need for robust real-time anomaly detection techniques during robotic operations. However, deep learning-based models in robotics face significant challenges due to limited training data and highly noisy signal features. In this paper, we present Sparse Masked Autoregressive Flow-based Adversarial AutoEncoder model to address these problems. This approach integrates Masked Autoregressive Flow model into Adversarial AutoEncoders to construct a flexible latent space and utilize Sparse autoencoder to efficiently focus on important features, even in scenarios with limited feature space. Our experiments demonstrate that the proposed model achieves a 4.96% to 9.75% higher area under the receiver operating characteristic curve for pick-and-place robotic operations with randomly placed cans, compared to existing state-of-the-art methods. Notably, it showed up to 19.67% better performance in scenarios involving collisions with lightweight objects. Additionally, unlike the existing state-of-the-art model, our model performs inferences within 1 millisecond, ensuring real-time anomaly detection. These capabilities make our model highly applicable to machine learning-based robotic safety systems in dynamic environments. The code is available at https://github.com/twkang43/sparse-maf-aae.
comment: 20 pages, 11 figures
♻ ☆ Graph Neural Networks in Supply Chain Analytics and Optimization: Concepts, Perspectives, Dataset and Benchmarks
Graph Neural Networks (GNNs) have recently gained traction in transportation, bioinformatics, language and image processing, but research on their application to supply chain management remains limited. Supply chains are inherently graph-like, making them ideal for GNN methodologies, which can optimize and solve complex problems. The barriers include a lack of proper conceptual foundations, familiarity with graph applications in SCM, and real-world benchmark datasets for GNN-based supply chain research. To address this, we discuss and connect supply chains with graph structures for effective GNN application, providing detailed formulations, examples, mathematical definitions, and task guidelines. Additionally, we present a multi-perspective real-world benchmark dataset from a leading FMCG company in Bangladesh, focusing on supply chain planning. We discuss various supply chain tasks using GNNs and benchmark several state-of-the-art models on homogeneous and heterogeneous graphs across six supply chain analytics tasks. Our analysis shows that GNN-based models consistently outperform statistical Machine Learning and other Deep Learning models by around 10-30% in regression, 10-30% in classification and detection tasks, and 15-40% in anomaly detection tasks on designated metrics. With this work, we lay the groundwork for solving supply chain problems using GNNs, supported by conceptual discussions, methodological insights, and a comprehensive dataset.
comment: 27 Pages. arXiv admin note: text overlap with arXiv:2401.15299
♻ ☆ Interpretable global minima of deep ReLU neural networks on sequentially separable data
We explicitly construct zero loss neural network classifiers. We write the weight matrices and bias vectors in terms of cumulative parameters, which determine truncation maps acting recursively on input space. The configurations for the training data considered are (i) sufficiently small, well separated clusters corresponding to each class, and (ii) equivalence classes which are sequentially linearly separable. In the best case, for $Q$ classes of data in $\mathbb{R}^M$, global minimizers can be described with $Q(M+2)$ parameters.
comment: AMS Latex, 31 pages, 3 figures
♻ ☆ SIPDO: Closed-Loop Prompt Optimization via Synthetic Data Feedback
Prompt quality plays a critical role in the performance of large language models (LLMs), motivating a growing body of work on prompt optimization. Most existing methods optimize prompts over a fixed dataset, assuming static input distributions and offering limited support for iterative improvement. We introduce SIPDO (Self-Improving Prompts through Data-Augmented Optimization), a closed-loop framework for prompt learning that integrates synthetic data generation into the optimization process. SIPDO couples a synthetic data generator with a prompt optimizer, where the generator produces new examples that reveal current prompt weaknesses and the optimizer incrementally refines the prompt in response. This feedback-driven loop enables systematic improvement of prompt performance without assuming access to external supervision or new tasks. Experiments across question answering and reasoning benchmarks show that SIPDO outperforms standard prompt tuning methods, highlighting the value of integrating data synthesis into prompt learning workflows.
♻ ☆ Text2Struct: A Machine Learning Pipeline for Mining Structured Data from Text
Many analysis and prediction tasks require the extraction of structured data from unstructured texts. However, an annotation scheme and a training dataset have not been available for training machine learning models to mine structured data from text without special templates and patterns. To solve it, this paper presents an end-to-end machine learning pipeline, Text2Struct, including a text annotation scheme, training data processing, and machine learning implementation. We formulated the mining problem as the extraction of metrics and units associated with numerals in the text. Text2Struct was trained and evaluated using an annotated text dataset collected from abstracts of medical publications regarding thrombectomy. In terms of prediction performance, a dice coefficient of 0.82 was achieved on the test dataset. By random sampling, most predicted relations between numerals and entities were well matched to the ground-truth annotations. These results show that Text2Struct is viable for the mining of structured data from text without special templates or patterns. It is anticipated to further improve the pipeline by expanding the dataset and investigating other machine learning models. A code demonstration can be found at: https://github.com/zcc861007/Text2Struct
♻ ☆ A Bayesian Non-parametric Approach to Generative Models: Integrating Variational Autoencoder and Generative Adversarial Networks using Wasserstein and Maximum Mean Discrepancy
We propose a novel generative model within the Bayesian non-parametric learning (BNPL) framework to address some notable failure modes in generative adversarial networks (GANs) and variational autoencoders (VAEs)--these being overfitting in the GAN case and noisy samples in the VAE case. We will demonstrate that the BNPL framework enhances training stability and provides robustness and accuracy guarantees when incorporating the Wasserstein distance and maximum mean discrepancy measure (WMMD) into our model's loss function. Moreover, we introduce a so-called ``triple model'' that combines the GAN, the VAE, and further incorporates a code-GAN (CGAN) to explore the latent space of the VAE. This triple model design generates high-quality, diverse samples, while the BNPL framework, leveraging the WMMD loss function, enhances training stability. Together, these components enable our model to achieve superior performance across various generative tasks. These claims are supported by both theoretical analyses and empirical validation on a wide variety of datasets.
♻ ☆ ECHO-LLaMA: Efficient Caching for High-Performance LLaMA Training
This paper introduces ECHO-LLaMA, an efficient LLaMA architecture designed to improve both the training speed and inference throughput of LLaMA architectures while maintaining its learning capacity. ECHO-LLaMA transforms LLaMA models into shared KV caching across certain layers, significantly reducing KV computational complexity while maintaining or improving language performance. Experimental results demonstrate that ECHO-LLaMA achieves up to 77\% higher token-per-second throughput during training, up to 16\% higher Model FLOPs Utilization (MFU), and up to 14\% lower loss when trained on an equal number of tokens. Furthermore, on the 1.1B model, ECHO-LLaMA delivers approximately 7\% higher test-time throughput compared to the baseline. By introducing a computationally efficient adaptation mechanism, ECHO-LLaMA offers a scalable and cost-effective solution for pretraining and finetuning large language models, enabling faster and more resource-efficient training without compromising performance.
♻ ☆ SPD-CFL: Stepwise Parameter Dropout for Efficient Continual Federated Learning
Federated Learning (FL) is a collaborative machine learning paradigm for training models on local sensitive data with privacy protection. Pre-trained transformer-based models have emerged as useful foundation models (FMs) to be fine-tuned for a wide range of downstream tasks. However, large-scale pre-trained models make it challenging for traditional FL due to high communication overhead in the resource-constrained IoT. This has inspired the field of parameter-efficient fine-tuning (PEFT) research. Existing PEFT methods attempt to optimize model performance at the given dropout level. Such an approach places the burden on human users to find a dropout rate that provides a satisfactory level of performance through trial-and-error, which is time consuming and resource intensive. To address this limitation, we propose the Step-wise Parameter Dropout for Continual Federated Learning (SPD-CFL) approach. Instead of pre-defining a desired dropout rate, it allows users to specify the target level of performance and then attempts to find the most suitable dropout rate for the given FL model. Specifically, on the server side, SPD-CFL drops trainable parameters in a stepwise manner to improve communication efficiency by reducing the rank of low-rank adaptation (LoRA). The sensitivity-based gradient consistency (SGC) measure is designed to facilitate the adaptive adjustment of parameter dropout. In addition, SPD-CFL introduces continual learning (CL) on the client side to mitigate performance degradation due to the inconsistent optima with distinct parameter dropout rates under heterogeneous FL. Extensive experiments on the public benchmark dataset CIFAR-10 and a real-world medical Face dataset demonstrate significant superiority of SPD-CFL over state-of-the-art methods. Compared to the best-performing baseline, it achieves a 2.07% higher test AUC while reducing communication overhead by 29.53%.
♻ ☆ Navigating Conflicting Views: Harnessing Trust for Learning
Resolving conflicts is critical for improving the reliability of multi-view classification. While prior work focuses on learning consistent and informative representations across views, it often assumes perfect alignment and equal importance of all views, an assumption rarely met in real-world scenarios, as some views may express distinct information. To address this, we develop a computational trust-based discounting method that enhances the Evidential Multi-view framework by accounting for the instance-wise reliability of each view through a probability-sensitive trust mechanism. We evaluate our method on six real-world datasets using Top-1 Accuracy, Fleiss' Kappa, and a new metric, Multi-View Agreement with Ground Truth, to assess prediction reliability. We also assess the effectiveness of uncertainty in indicating prediction correctness via AUROC. Additionally, we test the scalability of our method through end-to-end training on a large-scale dataset. The experimental results show that computational trust can effectively resolve conflicts, paving the way for more reliable multi-view classification models in real-world applications. Codes available at: https://github.com/OverfitFlow/Trust4Conflict
♻ ☆ Dim and Small Target Detection for Drone Broadcast Frames Based on Time-Frequency Analysis
We propose a dim and small target detection algorithm for drone broadcast frames based on the time-frequency analysis of communication protocol. Specifically, by analyzing modulation parameters and frame structures, the prior knowledge of transmission frequency, signal bandwidth, Zadoff-Chu (ZC) sequences, and frame length of drone broadcast frames is established. The RF signals are processed through the designed filter banks, and the frequency domain parameters of bounding boxes generated by the detector are corrected with transmission frequency and signal bandwidth. Given the remarkable correlation characteristics of ZC sequences, the frequency domain parameters of bounding boxes with low confidence scores are corrected based on ZC sequences and frame length, which improves the detection accuracy of dim targets under low signal-to noise ratio situations. Besides, a segmented energy refinement method is applied to mitigate the deviation caused by interference signals with high energy strength, which ulteriorly corrects the time domain detection parameters for dim targets. As the sampling duration increases, the detection speed improves while the detection accuracy of broadcast frames termed as small targets decreases. The trade-off between detection accuracy and speed versus sampling duration is established, which helps to meet different drone regulation requirements. Simulation results demonstrate that the proposed algorithm improves the evaluation metrics by 2.27\% compared to existing algorithms. The proposed algorithm also performs strong robustness under varying flight distances, diverse types of environment noise, and different flight visual environment. Besides, the broadcast frame decoding results indicate that 97.30\% accuracy of RID has been achieved.
♻ ☆ DeepMedcast: A Deep Learning Method for Generating Intermediate Weather Forecasts among Multiple NWP Models
Numerical weather prediction (NWP) centers around the world operate a variety of NWP models. In addition, recent advances in AI-driven NWP models have further increased the availability of NWP outputs. While this expansion holds the potential to improve forecast accuracy, it raises a critical question: which prediction is the most plausible? If the NWP models have comparable accuracy, it is impossible to determine in advance which one is the best. Traditional approaches, such as ensemble or weighted averaging, combine multiple NWP outputs to produce a single forecast with improved accuracy. However, they often result in meteorologically unrealistic and uninterpretable outputs, such as the splitting of tropical cyclone centers or frontal boundaries into multiple distinct systems. To address this issue, we propose DeepMedcast, a deep learning method that generates intermediate forecasts between two or more NWP outputs. Unlike averaging, DeepMedcast provides predictions in which meteorologically significant features -- such as the locations of tropical cyclones, extratropical cyclones, fronts, and shear lines -- approximately align with the arithmetic mean of the corresponding features predicted by the input NWP models, without distorting meteorological structures. We demonstrate the capability of DeepMedcast through case studies and verification results, showing that it produces realistic and interpretable forecasts with higher accuracy than the input NWP models. By providing plausible intermediate forecasts, DeepMedcast can significantly contribute to the efficiency and standardization of operational forecasting tasks, including general, marine, and aviation forecasts.
comment: 15 pages, 11 figures
♻ ☆ IGNIS: A Robust Neural Network Framework for Constrained Parameter Estimation in Archimedean Copulas
We introduce IGNIS, a deep-learning framework for constrained parameter estimation in Archimedean copulas with natural domain $\theta \geq 1$. While illustrated here on four families (Gumbel, Joe and the novel A1/A2 copulas), IGNIS is readily applicable to any one-parameter Archimedean model with $\theta \geq 1$. Classical estimators (Method of Moments (MoM), Maximum Likelihood Estimation (MLE), Maximum Pseudo-Likelihood (MPL)) break down on A1/A2 due to non-monotonic dependence mappings, steep likelihood gradients and the need for custom constraint handling. IGNIS sidesteps these issues by learning a direct mapping from four summary statistics (Kendall's $\tau$, Spearman's $\rho$, empirical 0.95 tail-dependence and Pearson $r$) plus a one-hot family indicator to $\theta$, ending in a softplus + 1 output layer that automatically enforces $\hat{\theta} \geq 1$. Trained on 500 simulated $\theta$ values per family (10000 observations each), IGNIS outperforms the Method of Moments in extensive simulations and delivers accurate, stable estimates on real-world AAPL-MSFT returns and CDC diabetes data. Our results demonstrate a unified, constraint-aware neural estimator for modern copula-based dependence modeling, easily extendable to any copula family respecting $\theta \geq 1$.
comment: Under review
♻ ☆ How Visual Representations Map to Language Feature Space in Multimodal LLMs
Effective multimodal reasoning depends on the alignment of visual and linguistic representations, yet the mechanisms by which vision-language models (VLMs) achieve this alignment remain poorly understood. Following the LiMBeR framework, we deliberately maintain a frozen large language model (LLM) and a frozen vision transformer (ViT), connected solely by training a linear adapter during visual instruction tuning. By keeping the language model frozen, we ensure it maintains its original language representations without adaptation to visual data. Consequently, the linear adapter must map visual features directly into the LLM's existing representational space rather than allowing the language model to develop specialized visual understanding through fine-tuning. Our experimental design uniquely enables the use of pre-trained sparse autoencoders (SAEs) of the LLM as analytical probes. These SAEs remain perfectly aligned with the unchanged language model and serve as a snapshot of the learned language feature-representations. Through systematic analysis of SAE reconstruction error, sparsity patterns, and feature SAE descriptions, we reveal the layer-wise progression through which visual representations gradually align with language feature representations, converging in middle-to-later layers. This suggests a fundamental misalignment between ViT outputs and early LLM layers, raising important questions about whether current adapter-based architectures optimally facilitate cross-modal representation learning.
♻ ☆ Learning to Reason under Off-Policy Guidance
Recent advances in large reasoning models (LRMs) demonstrate that sophisticated behaviors such as multi-step reasoning and self-reflection can emerge via reinforcement learning with verifiable rewards~(\textit{RLVR}). However, existing \textit{RLVR} approaches are inherently ``on-policy'', limiting learning to a model's own outputs and failing to acquire reasoning abilities beyond its initial capabilities. To address this issue, we introduce \textbf{LUFFY} (\textbf{L}earning to reason \textbf{U}nder o\textbf{FF}-polic\textbf{Y} guidance), a framework that augments \textit{RLVR} with off-policy reasoning traces. LUFFY dynamically balances imitation and exploration by combining off-policy demonstrations with on-policy rollouts during training. Specifically, LUFFY combines the Mixed-Policy GRPO framework, which has a theoretically guaranteed convergence rate, alongside policy shaping via regularized importance sampling to avoid superficial and rigid imitation during mixed-policy training. Compared with previous RLVR methods, LUFFY achieves an over \textbf{+6.4} average gain across six math benchmarks and an advantage of over \textbf{+6.2} points in out-of-distribution tasks. Most significantly, we show that LUFFY successfully trains weak models in scenarios where on-policy RLVR completely fails. These results provide compelling evidence that LUFFY transcends the fundamental limitations of on-policy RLVR and demonstrates the great potential of utilizing off-policy guidance in RLVR.
comment: Work in progress
Genomics 2
☆ eccDNAMamba: A Pre-Trained Model for Ultra-Long eccDNA Sequence Analysis ICML 2025
Extrachromosomal circular DNA (eccDNA) plays key regulatory roles and contributes to oncogene overexpression in cancer through high-copy amplification and long-range interactions. Despite advances in modeling, no pre-trained models currently support full-length circular eccDNA for downstream analysis. Existing genomic models are either limited to single-nucleotide resolution or hindered by the inefficiency of the quadratic attention mechanism. Here, we introduce eccDNAMamba, the first bidirectional state-space encoder tailored for circular DNA sequences. It combines forward and reverse passes for full-context representation learning with linear-time complexity, and preserves circular structure through a novel augmentation strategy. Tested on two real-world datasets, eccDNAMamba achieves strong classification performance and scales to sequences up to 200 Kbp, offering a robust and efficient framework for modeling circular genomes. Our codes are available at https://github.com/zzq1zh/GenAI-Lab.
comment: Accepted by ICML 2025 Generative AI and Biology (GenBio) Workshop
♻ ☆ Static Three-Dimensional Structures Determine Fast Dynamics Between Distal Loci Pairs in Interphase Chromosomes
Live-cell imaging experiments have shown that the distal dynamics between enhancers and promoters are unexpectedly rapid and incompatible with standard polymer models. The discordance between the compact static chromatin organization and dynamics is a conundrum that violates the expected structure-function relationship. We developed a theory to predict chromatin dynamics by accurately determining three-dimensional (3D) structures from static Hi-C contact maps or fixed-cell imaging data. Using the calculated 3D coordinates, the theory accurately forecasts experimentally observed two-point chromatin dynamics. It predicts rapid enhancer-promoter interactions and uncovers a scaling relationship between two-point relaxation time and genomic separation, closely matching recent measurements. The theory predicts that cohesin depletion accelerates single-locus diffusion while significantly slowing relaxation dynamics within topologically associating domains (TADs). Our results demonstrate that chromatin dynamics can be reliably inferred from static structural data, reinforcing the notion that 3D chromatin structure governs dynamic behavior. This general framework offers powerful tools for exploring chromatin dynamics across diverse biological contexts.
Quantitative Methods 3
☆ Single-Cell Proteomic Technologies: Tools in the quest for principles
Over the last decade, proteomic analysis of single cells by mass spectrometry transitioned from an uncertain possibility to a set of robust and rapidly advancing technologies supporting the accurate quantification of thousands of proteins. We review the major drivers of this progress, from establishing feasibility to powerful and increasingly scalable methods. We focus on the tradeoffs and synergies of different technological solutions within a coherent conceptual framework, which projects considerable room both for throughput scaling and for extending the analysis scope to functional protein measurements. We highlight the potential of these technologies to support the development of mechanistic biophysical models and help uncover new principles.
♻ ☆ Unveiling Molecular Moieties through Hierarchical Grad-CAM Graph Explainability
Background: Virtual Screening (VS) has become an essential tool in drug discovery, enabling the rapid and cost-effective identification of potential bioactive molecules. Among recent advancements, Graph Neural Networks (GNNs) have gained prominence for their ability to model complex molecular structures using graph-based representations. However, the integration of explainable methods to elucidate the specific contributions of molecular substructures to biological activity remains a significant challenge. This limitation hampers both the interpretability of predictive models and the rational design of novel therapeutics. Results: We trained 20 GNN models on a dataset of small molecules with the goal of predicting their activity on 20 distinct protein targets from the Kinase family. These classifiers achieved state-of-the-art performance in virtual screening tasks, demonstrating high accuracy and robustness on different targets. Building upon these models, we implemented the Hierarchical Grad-CAM graph Explainer (HGE) framework, enabling an in-depth analysis of the molecular moieties driving protein-ligand binding stabilization. HGE exploits Grad-CAM explanations at the atom, ring, and whole-molecule levels, leveraging the message-passing mechanism to highlight the most relevant chemical moieties. Validation against experimental data from the literature confirmed the ability of the explainer to recognize a molecular pattern of drugs and correctly annotate them to the known target. Conclusion: Our approach may represent a valid support to shorten both the screening and the hit discovery process. Detailed knowledge of the molecular substructures that play a role in the binding process can help the computational chemist to gain insights into the structure optimization, as well as in drug repurposing tasks.
♻ ☆ Universal scale-free representations in human visual cortex
How does the human brain encode complex visual information? While previous research has characterized individual dimensions of visual representation in cortex, we still lack a comprehensive understanding of how visual information is organized across the full range of neural population activity. Here, analyzing fMRI responses to natural scenes across multiple individuals, we discover that neural representations in human visual cortex follow a remarkably consistent scale-free organization -- their variance systematically decays as a power law, detected across four orders of magnitude of latent dimensions. This scale-free structure appears consistently across multiple visual regions and across individuals, suggesting it reflects a fundamental organizing principle of visual processing. Critically, when we align neural responses across individuals using hyperalignment, we find that these representational dimensions are largely shared between people, revealing a universal high-dimensional spectrum of visual information that emerges despite individual differences in brain anatomy and visual experience. Traditional analysis approaches in cognitive neuroscience have focused primarily on a small number of high-variance dimensions, potentially missing crucial aspects of visual representation. Our results demonstrate that visual information is distributed across the full dimensionality of cortical activity in a systematic way, suggesting we need to move beyond low-dimensional characterizations to fully understand how the brain represents the visual world. This work reveals a new fundamental principle of neural coding in human visual cortex and highlights the importance of examining neural representations across their full dimensionality.
comment: 32 pages, 7 main figures, 12 supplementary figures
Machine Learning 38
☆ In-Context Learning Strategies Emerge Rationally
Recent work analyzing in-context learning (ICL) has identified a broad set of strategies that describe model behavior in different experimental conditions. We aim to unify these findings by asking why a model learns these disparate strategies in the first place. Specifically, we start with the observation that when trained to learn a mixture of tasks, as is popular in the literature, the strategies learned by a model for performing ICL can be captured by a family of Bayesian predictors: a memorizing predictor, which assumes a discrete prior on the set of seen tasks, and a generalizing predictor, wherein the prior matches the underlying task distribution. Adopting the lens of rational analysis from cognitive science, where a learner's behavior is explained as an optimal adaptation to data given computational constraints, we develop a hierarchical Bayesian framework that almost perfectly predicts Transformer next token predictions throughout training without assuming access to its weights. Under this framework, pretraining is viewed as a process of updating the posterior probability of different strategies, and its inference-time behavior as a posterior-weighted average over these strategies' predictions. Our framework draws on common assumptions about neural network learning dynamics, which make explicit a tradeoff between loss and complexity among candidate strategies: beyond how well it explains the data, a model's preference towards implementing a strategy is dictated by its complexity. This helps explain well-known ICL phenomena, while offering novel predictions: e.g., we show a superlinear trend in the timescale for transition to memorization as task diversity is increased. Overall, our work advances an explanatory and predictive account of ICL grounded in tradeoffs between strategy loss and complexity.
comment: Preprint
☆ AbRank: A Benchmark Dataset and Metric-Learning Framework for Antibody-Antigen Affinity Ranking
Accurate prediction of antibody-antigen (Ab-Ag) binding affinity is essential for therapeutic design and vaccine development, yet the performance of current models is limited by noisy experimental labels, heterogeneous assay conditions, and poor generalization across the vast antibody and antigen sequence space. We introduce AbRank, a large-scale benchmark and evaluation framework that reframes affinity prediction as a pairwise ranking problem. AbRank aggregates over 380,000 binding assays from nine heterogeneous sources, spanning diverse antibodies, antigens, and experimental conditions, and introduces standardized data splits that systematically increase distribution shift, from local perturbations such as point mutations to broad generalization across novel antigens and antibodies. To ensure robust supervision, AbRank defines an m-confident ranking framework by filtering out comparisons with marginal affinity differences, focusing training on pairs with at least an m-fold difference in measured binding strength. As a baseline for the benchmark, we introduce WALLE-Affinity, a graph-based approach that integrates protein language model embeddings with structural information to predict pairwise binding preferences. Our benchmarks reveal significant limitations in current methods under realistic generalization settings and demonstrate that ranking-based training improves robustness and transferability. In summary, AbRank offers a robust foundation for machine learning models to generalize across the antibody-antigen space, with direct relevance for scalable, structure-aware antibody therapeutic design.
☆ Bayesian Inference for Left-Truncated Log-Logistic Distributions for Time-to-event Data Analysis
Parameter estimation is a foundational step in statistical modeling, enabling us to extract knowledge from data and apply it effectively. Bayesian estimation of parameters incorporates prior beliefs with observed data to infer distribution parameters probabilistically and robustly. Moreover, it provides full posterior distributions, allowing uncertainty quantification and regularization, especially useful in small or truncated samples. Utilizing the left-truncated log-logistic (LTLL) distribution is particularly well-suited for modeling time-to-event data where observations are subject to a known lower bound such as precipitation data and cancer survival times. In this paper, we propose a Bayesian approach for estimating the parameters of the LTLL distribution with a fixed truncation point \( x_L > 0 \). Given a random variable \( X \sim LL(\alpha, \beta; x_L) \), where \( \alpha > 0 \) is the scale parameter and \( \beta > 0 \) is the shape parameter, the likelihood function is derived based on a truncated sample \( X_1, X_2, \dots, X_N \) with \( X_i > x_L \). We assume independent prior distributions for the parameters, and the posterior inference is conducted via Markov Chain Monte Carlo sampling, specifically using the Metropolis-Hastings algorithm to obtain posterior estimates \( \hat{\alpha} \) and \( \hat{\beta} \). Through simulation studies and real-world applications, we demonstrate that Bayesian estimation provides more stable and reliable parameter estimates, particularly when the likelihood surface is irregular due to left truncation. The results highlight the advantages of Bayesian inference outperform the estimation of parameter uncertainty in truncated distributions for time to event data analysis.
comment: 24 pages, 5 figures, 5 tables
☆ Pathway-based Progressive Inference (PaPI) for Energy-Efficient Continual Learning
Continual learning systems face the dual challenge of preventing catastrophic forgetting while maintaining energy efficiency, particularly in resource-constrained environments. This paper introduces Pathway-based Progressive Inference (PaPI), a novel theoretical framework that addresses these challenges through a mathematically rigorous approach to pathway selection and adaptation. We formulate continual learning as an energy-constrained optimization problem and provide formal convergence guarantees for our pathway routing mechanisms. Our theoretical analysis demonstrates that PaPI achieves an $\mathcal{O}(K)$ improvement in the stability-plasticity trade-off compared to monolithic architectures, where $K$ is the number of pathways. We derive tight bounds on forgetting rates using Fisher Information Matrix analysis and prove that PaPI's energy consumption scales with the number of active parameters rather than the total model size. Comparative theoretical analysis shows that PaPI provides stronger guarantees against catastrophic forgetting than Elastic Weight Consolidation (EWC) while maintaining better energy efficiency than both EWC and Gradient Episodic Memory (GEM). Our experimental validation confirms these theoretical advantages across multiple benchmarks, demonstrating PaPI's effectiveness for continual learning in energy-constrained settings. Our codes are available at https://github.com/zser092/PAPI_FILES.
☆ A Comparative Study of Open-Source Libraries for Synthetic Tabular Data Generation: SDV vs. SynthCity
High-quality training data is critical to the performance of machine learning models, particularly Large Language Models (LLMs). However, obtaining real, high-quality data can be challenging, especially for smaller organizations and early-stage startups. Synthetic data generators provide a promising solution by replicating the statistical and structural properties of real data while preserving privacy and scalability. This study evaluates the performance of six tabular synthetic data generators from two widely used open-source libraries: SDV (Gaussian Copula, CTGAN, TVAE) and Synthicity (Bayesian Network, CTGAN, TVAE). Using a real-world dataset from the UCI Machine Learning Repository, comprising energy consumption and environmental variables from Belgium, we simulate a low-data regime by training models on only 1,000 rows. Each generator is then tasked with producing synthetic datasets under two conditions: a 1:1 (1,000 rows) and a 1:10 (10,000 rows) input-output ratio. Evaluation is conducted using two criteria: statistical similarity, measured via classical statistics and distributional metrics; and predictive utility, assessed using a "Train on Synthetic, Test on Real" approach with four regression models. While statistical similarity remained consistent across models in both scenarios, predictive utility declined notably in the 1:10 case. The Bayesian Network from Synthicity achieved the highest fidelity in both scenarios, while TVAE from SDV performed best in predictive tasks under the 1:10 setting. Although no significant performance gap was found between the two libraries, SDV stands out for its superior documentation and ease of use, making it more accessible for practitioners.
comment: 23 Pages, 5 figures, and 6 tables
☆ Causal Spherical Hypergraph Networks for Modelling Social Uncertainty
Human social behaviour is governed by complex interactions shaped by uncertainty, causality, and group dynamics. We propose Causal Spherical Hypergraph Networks (Causal-SphHN), a principled framework for socially grounded prediction that jointly models higher-order structure, directional influence, and epistemic uncertainty. Our method represents individuals as hyperspherical embeddings and group contexts as hyperedges, capturing semantic and relational geometry. Uncertainty is quantified via Shannon entropy over von Mises-Fisher distributions, while temporal causal dependencies are identified using Granger-informed subgraphs. Information is propagated through an angular message-passing mechanism that respects belief dispersion and directional semantics. Experiments on SNARE (offline networks), PHEME (online discourse), and AMIGOS (multimodal affect) show that Causal-SphHN improves predictive accuracy, robustness, and calibration over strong baselines. Moreover, it enables interpretable analysis of influence patterns and social ambiguity. This work contributes a unified causal-geometric approach for learning under uncertainty in dynamic social environments.
☆ Leveling the Playing Field: Carefully Comparing Classical and Learned Controllers for Quadrotor Trajectory Tracking
Learning-based control approaches like reinforcement learning (RL) have recently produced a slew of impressive results for tasks like quadrotor trajectory tracking and drone racing. Naturally, it is common to demonstrate the advantages of these new controllers against established methods like analytical controllers. We observe, however, that reliably comparing the performance of such very different classes of controllers is more complicated than might appear at first sight. As a case study, we take up the problem of agile tracking of an end-effector for a quadrotor with a fixed arm. We develop a set of best practices for synthesizing the best-in-class RL and geometric controllers (GC) for benchmarking. In the process, we resolve widespread RL-favoring biases in prior studies that provide asymmetric access to: (1) the task definition, in the form of an objective function, (2) representative datasets, for parameter optimization, and (3) feedforward information, describing the desired future trajectory. The resulting findings are the following: our improvements to the experimental protocol for comparing learned and classical controllers are critical, and each of the above asymmetries can yield misleading conclusions. Prior works have claimed that RL outperforms GC, but we find the gaps between the two controller classes are much smaller than previously published when accounting for symmetric comparisons. Geometric control achieves lower steady-state error than RL, while RL has better transient performance, resulting in GC performing better in relatively slow or less agile tasks, but RL performing better when greater agility is required. Finally, we open-source implementations of geometric and RL controllers for these aerial vehicles, implementing best practices for future development. Website and code is available at https://pratikkunapuli.github.io/rl-vs-gc/
comment: Accepted for publication to RSS 2025. 10 pages, 5 figures. Project website: https://pratikkunapuli.github.io/rl-vs-gc/
☆ Aligning Frozen LLMs by Reinforcement Learning: An Iterative Reweight-then-Optimize Approach
Aligning large language models (LLMs) with human preferences usually requires fine-tuning methods such as RLHF and DPO. These methods directly optimize the model parameters, so they cannot be used in test-time to improve model performance, nor are they applicable when the model weights are not accessible. In contrast, test-time methods sidestep weight updates by leveraging reward functions to guide and improve output quality. However, they incur high inference costs, and their one-shot guidance is often based on imperfect reward or value functions, leading to suboptimal outputs. In this work, we present a method named Iterative Reweight-then-Optimize (IRO), a reinforcement learning (RL) framework that performs RL-style alignment of the (frozen) base model without touching its parameters. During training, each iteration (i) samples candidates from the base model, (ii) resamples using current value functions, and (iii) trains a new lightweight value function that guides the next decoding pass. At test time, the value functions are used to guide the base model generation via a search-based optimization process. Notably, users can apply IRO to align a model on their own dataset, similar to OpenAI's reinforcement fine-tuning (RFT), but without requiring access to the model weights.
Actionable Interpretability via Causal Hypergraphs: Unravelling Batch Size Effects in Deep Learning
While the impact of batch size on generalisation is well studied in vision tasks, its causal mechanisms remain underexplored in graph and text domains. We introduce a hypergraph-based causal framework, HGCNet, that leverages deep structural causal models (DSCMs) to uncover how batch size influences generalisation via gradient noise, minima sharpness, and model complexity. Unlike prior approaches based on static pairwise dependencies, HGCNet employs hypergraphs to capture higher-order interactions across training dynamics. Using do-calculus, we quantify direct and mediated effects of batch size interventions, providing interpretable, causally grounded insights into optimisation. Experiments on citation networks, biomedical text, and e-commerce reviews show that HGCNet outperforms strong baselines including GCN, GAT, PI-GNN, BERT, and RoBERTa. Our analysis reveals that smaller batch sizes causally enhance generalisation through increased stochasticity and flatter minima, offering actionable interpretability to guide training strategies in deep learning. This work positions interpretability as a driver of principled architectural and optimisation choices beyond post hoc analysis.
☆ Quantum-Hybrid Support Vector Machines for Anomaly Detection in Industrial Control Systems
Sensitive data captured by Industrial Control Systems (ICS) play a large role in the safety and integrity of many critical infrastructures. Detection of anomalous or malicious data, or Anomaly Detection (AD), with machine learning is one of many vital components of cyberphysical security. Quantum kernel-based machine learning methods have shown promise in identifying complex anomalous behavior by leveraging the highly expressive and efficient feature spaces of quantum computing. This study focuses on the parameterization of Quantum Hybrid Support Vector Machines (QSVMs) using three popular datasets from Cyber-Physical Systems (CPS). The results demonstrate that QSVMs outperform traditional classical kernel methods, achieving 13.3% higher F1 scores. Additionally, this research investigates noise using simulations based on real IBMQ hardware, revealing a maximum error of only 0.98% in the QSVM kernels. This error results in an average reduction of 1.57% in classification metrics. Furthermore, the study found that QSVMs show a 91.023% improvement in kernel-target alignment compared to classical methods, indicating a potential "quantum advantage" in anomaly detection for critical infrastructures. This effort suggests that QSVMs can provide a substantial advantage in anomaly detection for ICS, ultimately enhancing the security and integrity of critical infrastructures.
comment: 12 pages, 6 tables, 10 figures
☆ Learning to Dock: A Simulation-based Study on Closing the Sim2Real Gap in Autonomous Underwater Docking
Autonomous Underwater Vehicle (AUV) docking in dynamic and uncertain environments is a critical challenge for underwater robotics. Reinforcement learning is a promising method for developing robust controllers, but the disparity between training simulations and the real world, or the sim2real gap, often leads to a significant deterioration in performance. In this work, we perform a simulation study on reducing the sim2real gap in autonomous docking through training various controllers and then evaluating them under realistic disturbances. In particular, we focus on the real-world challenge of docking under different payloads that are potentially outside the original training distribution. We explore existing methods for improving robustness including randomization techniques and history-conditioned controllers. Our findings provide insights into mitigating the sim2real gap when training docking controllers. Furthermore, our work indicates areas of future research that may be beneficial to the marine robotics community.
comment: Advancing Quantitative and Qualitative Simulators for Marine Applications Workshop Paper at International Conference on Robotics and Automation 2025
☆ CultureMERT: Continual Pre-Training for Cross-Cultural Music Representation Learning
Recent advances in music foundation models have improved audio representation learning, yet their effectiveness across diverse musical traditions remains limited. We introduce CultureMERT-95M, a multi-culturally adapted foundation model developed to enhance cross-cultural music representation learning and understanding. To achieve this, we propose a two-stage continual pre-training strategy that integrates learning rate re-warming and re-decaying, enabling stable adaptation even with limited computational resources. Training on a 650-hour multi-cultural data mix, comprising Greek, Turkish, and Indian music traditions, results in an average improvement of 4.9% in ROC-AUC and AP across diverse non-Western music auto-tagging tasks, surpassing prior state-of-the-art, with minimal forgetting on Western-centric benchmarks. We further investigate task arithmetic, an alternative approach to multi-cultural adaptation that merges single-culture adapted models in the weight space. Task arithmetic performs on par with our multi-culturally trained model on non-Western auto-tagging tasks and shows no regression on Western datasets. Cross-cultural evaluation reveals that single-culture models transfer with varying effectiveness across musical traditions, whereas the multi-culturally adapted model achieves the best overall performance. To support research on world music representation learning, we publicly release CultureMERT-95M and CultureMERT-TA-95M, fostering the development of more culturally aware music foundation models.
comment: 10 pages, 4 figures, accepted to the 26th International Society for Music Information Retrieval conference (ISMIR 2025), to be held in Daejeon, South Korea
☆ Flatness After All?
Recent literature has examined the relationship between the curvature of the loss function at minima and generalization, mainly in the context of overparameterized networks. A key observation is that "flat" minima tend to generalize better than "sharp" minima. While this idea is supported by empirical evidence, it has also been shown that deep networks can generalize even with arbitrary sharpness, as measured by either the trace or the spectral norm of the Hessian. In this paper, we argue that generalization could be assessed by measuring flatness using a soft rank measure of the Hessian. We show that when the common neural network model (neural network with exponential family negative log likelihood loss) is calibrated, and its prediction error and its confidence in the prediction are not correlated with the first and the second derivatives of the network's output, our measure accurately captures the asymptotic expected generalization gap. For non-calibrated models, we connect our flatness measure to the well-known Takeuchi Information Criterion and show that it still provides reliable estimates of generalization gaps for models that are not overly confident. Experimental results indicate that our approach offers a robust estimate of the generalization gap compared to baselines.
☆ Reimagining Parameter Space Exploration with Diffusion Models ICML 2025
Adapting neural networks to new tasks typically requires task-specific fine-tuning, which is time-consuming and reliant on labeled data. We explore a generative alternative that produces task-specific parameters directly from task identity, eliminating the need for task-specific training. To this end, we propose using diffusion models to learn the underlying structure of effective task-specific parameter space and synthesize parameters on demand. Once trained, the task-conditioned diffusion model can generate specialized weights directly from task identifiers. We evaluate this approach across three scenarios: generating parameters for a single seen task, for multiple seen tasks, and for entirely unseen tasks. Experiments show that diffusion models can generate accurate task-specific parameters and support multi-task interpolation when parameter subspaces are well-structured, but fail to generalize to unseen tasks, highlighting both the potential and limitations of this generative solution.
comment: Accepted at ICML 2025 EXAIT Workshop
☆ AdRo-FL: Informed and Secure Client Selection for Federated Learning in the Presence of Adversarial Aggregator
Federated Learning (FL) enables collaborative learning without exposing clients' data. While clients only share model updates with the aggregator, studies reveal that aggregators can infer sensitive information from these updates. Secure Aggregation (SA) protects individual updates during transmission; however, recent work demonstrates a critical vulnerability where adversarial aggregators manipulate client selection to bypass SA protections, constituting a Biased Selection Attack (BSA). Although verifiable random selection prevents BSA, it precludes informed client selection essential for FL performance. We propose Adversarial Robust Federated Learning (AdRo-FL), which simultaneously enables: informed client selection based on client utility, and robust defense against BSA maintaining privacy-preserving aggregation. AdRo-FL implements two client selection frameworks tailored for distinct settings. The first framework assumes clients are grouped into clusters based on mutual trust, such as different branches of an organization. The second framework handles distributed clients where no trust relationships exist between them. For the cluster-oriented setting, we propose a novel defense against BSA by (1) enforcing a minimum client selection quota from each cluster, supervised by a cluster-head in every round, and (2) introducing a client utility function to prioritize efficient clients. For the distributed setting, we design a two-phase selection protocol: first, the aggregator selects the top clients based on our utility-driven ranking; then, a verifiable random function (VRF) ensures a BSA-resistant final selection. AdRo-FL also applies quantization to reduce communication overhead and sets strict transmission deadlines to improve energy efficiency. AdRo-FL achieves up to $1.85\times$ faster time-to-accuracy and up to $1.06\times$ higher final accuracy compared to insecure baselines.
comment: 17 pages
☆ SING: SDE Inference via Natural Gradients
Latent stochastic differential equation (SDE) models are important tools for the unsupervised discovery of dynamical systems from data, with applications ranging from engineering to neuroscience. In these complex domains, exact posterior inference of the latent state path is typically intractable, motivating the use of approximate methods such as variational inference (VI). However, existing VI methods for inference in latent SDEs often suffer from slow convergence and numerical instability. Here, we propose SDE Inference via Natural Gradients (SING), a method that leverages natural gradient VI to efficiently exploit the underlying geometry of the model and variational posterior. SING enables fast and reliable inference in latent SDE models by approximating intractable integrals and parallelizing computations in time. We provide theoretical guarantees that SING will approximately optimize the intractable, continuous-time objective of interest. Moreover, we demonstrate that better state inference enables more accurate estimation of nonlinear drift functions using, for example, Gaussian process SDE models. SING outperforms prior methods in state inference and drift estimation on a variety of datasets, including a challenging application to modeling neural dynamics in freely behaving animals. Altogether, our results illustrate the potential of SING as a tool for accurate inference in complex dynamical systems, especially those characterized by limited prior knowledge and non-conjugate structure.
☆ Bayesian Social Deduction with Graph-Informed Language Models
Social reasoning - inferring unobservable beliefs and intentions from partial observations of other agents - remains a challenging task for large language models (LLMs). We evaluate the limits of current reasoning language models in the social deduction game Avalon and find that while the largest models demonstrate strong performance, they require extensive test-time inference and degrade sharply when distilled to smaller, real-time-capable variants. To address this, we introduce a hybrid reasoning framework that externalizes belief inference to a structured probabilistic model, while using an LLM for language understanding and interaction. Our approach achieves competitive performance with much larger models in Agent-Agent play and, notably, is the first language agent to defeat human players in a controlled study - achieving a 67% win rate and receiving higher qualitative ratings than both reasoning baselines and human teammates. We release code, models, and a dataset to support future work on social reasoning in LLM agents, which can be found at https://camp-lab-purdue.github.io/bayesian-social-deduction/
comment: 32 pages, 10 figures. Under review
☆ Beyond instruction-conditioning, MoTE: Mixture of Task Experts for Multi-task Embedding Models
Dense embeddings are fundamental to modern machine learning systems, powering Retrieval-Augmented Generation (RAG), information retrieval, and representation learning. While instruction-conditioning has become the dominant approach for embedding specialization, its direct application to low-capacity models imposes fundamental representational constraints that limit the performance gains derived from specialization. In this paper, we analyze these limitations and introduce the Mixture of Task Experts (MoTE) transformer block, which leverages task-specialized parameters trained with Task-Aware Contrastive Learning (\tacl) to enhance the model ability to generate specialized embeddings. Empirical results show that MoTE achieves $64\%$ higher performance gains in retrieval datasets ($+3.27 \rightarrow +5.21$) and $43\%$ higher performance gains across all datasets ($+1.81 \rightarrow +2.60$). Critically, these gains are achieved without altering instructions, training data, inference time, or number of active parameters.
☆ Toward Autonomous UI Exploration: The UIExplorer Benchmark
Autonomous agents must know how to explore user interfaces (UIs) for reliable task solving, yet systematic evaluation of this crucial phase is lacking. We introduce UIExplore-Bench, the first benchmark explicitly dedicated to UI exploration. The benchmark evaluates agents with either Structured mode (granting access to layout information like DOM trees) or Screen mode (relying on GUI-only observations such as screenshots and human-like mouse/keyboard interactions) across three levels in a standardized GitLab sandbox environment. We formalize exploration as the process of maximizing the set of actionable UI components discovered and propose a metric, human-normalized UI-Functionalities Observed (hUFO), to quantify the effectiveness of exploration. Our results show that UIExplore-AlGo achieves the leading mean hUFO scores, reaching up to 77.2% of human performance in Structured mode and 59.0% in Screen mode at 2,000 steps, particularly excelling at the Sparse level. The results highlight the relevance of our benchmark, as current agents show a substantial performance gap compared to one hour of human expert exploration, indicating ample room for future advancements. We publicly release the benchmark environment, an exploration dataset, and an evaluation suite to catalyze research into efficient UI exploration strategies and their downstream applications, such as experience-driven task completion and automated training data generation.
☆ Machine Learning Model Integration with Open World Temporal Logic for Process Automation
Recent advancements in Machine Learning (ML) have yielded powerful models capable of extracting structured information from diverse and complex data sources. However, a significant challenge lies in translating these perceptual or extractive outputs into actionable, reasoned decisions within complex operational workflows. To address these challenges, this paper introduces a novel approach that integrates the outputs from various machine learning models directly with the PyReason framework, an open-world temporal logic programming reasoning engine. PyReason's foundation in generalized annotated logic allows for the seamless incorporation of real-valued outputs (e.g., probabilities, confidence scores) from diverse ML models, treating them as truth intervals within its logical framework. Crucially, PyReason provides mechanisms, implemented in Python, to continuously poll ML model outputs, convert them into logical facts, and dynamically recompute the minimal model, ensuring real-tine adaptive decision-making. Furthermore, its native support for temporal reasoning, knowledge graph integration, and fully explainable interface traces enables sophisticated analysis over time-sensitive process data and existing organizational knowledge. By combining the strengths of perception and extraction from ML models with the logical deduction and transparency of PyReason, we aim to create a powerful system for automating complex processes. This integration finds utility across numerous domains, including manufacturing, healthcare, and business operations.
PhysiX: A Foundation Model for Physics Simulations
Foundation models have achieved remarkable success across video, image, and language domains. By scaling up the number of parameters and training datasets, these models acquire generalizable world knowledge and often surpass task-specific approaches. However, such progress has yet to extend to the domain of physics simulation. A primary bottleneck is data scarcity: while millions of images, videos, and textual resources are readily available on the internet, the largest physics simulation datasets contain only tens of thousands of samples. This data limitation hinders the use of large models, as overfitting becomes a major concern. As a result, physics applications typically rely on small models, which struggle with long-range prediction due to limited context understanding. Additionally, unlike images, videos, or text-which typically exhibit fixed granularity-physics datasets often vary drastically in scale, amplifying the challenges of scaling up multitask training. We introduce PhysiX, the first large-scale foundation model for physics simulation. PhysiX is a 4.5B parameter autoregressive generative model. It uses a discrete tokenizer to encode physical processes at different scales into a sequence of discrete tokens, and employs an autoregressive next-token prediction objective to model such processes in the token space. To mitigate the rounding error in the discretization process, PhysiX incorporates a specialized refinement module. Through extensive experiments, we show that PhysiX effectively addresses the data bottleneck, outperforming task-specific baselines under comparable settings as well as the previous absolute state-of-the-art approaches on The Well benchmark. Our results indicate that knowledge learned from natural videos can be successfully transferred to physics simulation, and that joint training across diverse simulation tasks enables synergistic learning.
comment: 21 pages, 10 figures
☆ Log-Normal Multiplicative Dynamics for Stable Low-Precision Training of Large Networks
Studies in neuroscience have shown that biological synapses follow a log-normal distribution whose transitioning can be explained by noisy multiplicative dynamics. Biological networks can function stably even under dynamically fluctuating conditions arising due to unreliable synaptic transmissions. Here we ask: Is it possible to design similar multiplicative training in artificial neural networks? To answer this question, we derive a Bayesian learning rule that assumes log-normal posterior distributions over weights which gives rise to a new Log-Normal Multiplicative Dynamics (LMD) algorithm. The algorithm uses multiplicative updates with both noise and regularization applied multiplicatively. The method is as easy to implement as Adam and only requires one additional vector to store. Our results show that LMD achieves stable and accurate training-from-scratch under low-precision forward operations for Vision Transformer and GPT-2. These results suggest that multiplicative dynamics, a biological feature, may enable stable low-precision inference and learning on future energy-efficient hardware.
comment: Code is available here: https://github.com/team-approx-bayes/lmd
☆ A Locally Differential Private Coding-Assisted Succinct Histogram Protocol
A succinct histogram captures frequent items and their frequencies across clients and has become increasingly important for large-scale, privacy-sensitive machine learning applications. To develop a rigorous framework to guarantee privacy for the succinct histogram problem, local differential privacy (LDP) has been utilized and shown promising results. To preserve data utility under LDP, which essentially works by intentionally adding noise to data, error-correcting codes naturally emerge as a promising tool for reliable information collection. This work presents the first practical $(\epsilon,\delta)$-LDP protocol for constructing succinct histograms using error-correcting codes. To this end, polar codes and their successive-cancellation list (SCL) decoding algorithms are leveraged as the underlying coding scheme. More specifically, our protocol introduces Gaussian-based perturbations to enable efficient soft decoding. Experiments demonstrate that our approach outperforms prior methods, particularly for items with low true frequencies, while maintaining similar frequency estimation accuracy.
☆ Derandomizing Simultaneous Confidence Regions for Band-Limited Functions by Improved Norm Bounds and Majority-Voting Schemes
Band-limited functions are fundamental objects that are widely used in systems theory and signal processing. In this paper we refine a recent nonparametric, nonasymptotic method for constructing simultaneous confidence regions for band-limited functions from noisy input-output measurements, by working in a Paley-Wiener reproducing kernel Hilbert space. Kernel norm bounds are tightened using a uniformly-randomized Hoeffding's inequality for small samples and an empirical Bernstein bound for larger ones. We derive an approximate threshold, based on the sample size and how informative the inputs are, that governs which bound to deploy. Finally, we apply majority voting to aggregate confidence sets from random subsamples, boosting both stability and region size. We prove that even per-input aggregated intervals retain their simultaneous coverage guarantee. These refinements are also validated through numerical experiments.
☆ Towards a Unified Textual Graph Framework for Spectral Reasoning via Physical and Chemical Information Fusion
Motivated by the limitations of current spectral analysis methods-such as reliance on single-modality data, limited generalizability, and poor interpretability-we propose a novel multi-modal spectral analysis framework that integrates prior knowledge graphs with Large Language Models. Our method explicitly bridges physical spectral measurements and chemical structural semantics by representing them in a unified Textual Graph format, enabling flexible, interpretable, and generalizable spectral understanding. Raw spectra are first transformed into TAGs, where nodes and edges are enriched with textual attributes describing both spectral properties and chemical context. These are then merged with relevant prior knowledge-including functional groups and molecular graphs-to form a Task Graph that incorporates "Prompt Nodes" supporting LLM-based contextual reasoning. A Graph Neural Network further processes this structure to complete downstream tasks. This unified design enables seamless multi-modal integration and automated feature decoding with minimal manual annotation. Our framework achieves consistently high performance across multiple spectral analysis tasks, including node-level, edge-level, and graph-level classification. It demonstrates robust generalization in both zero-shot and few-shot settings, highlighting its effectiveness in learning from limited data and supporting in-context reasoning. This work establishes a scalable and interpretable foundation for LLM-driven spectral analysis, unifying physical and chemical modalities for scientific applications.
comment: 16 pages, 7 figures, 8 tables
☆ Physics-informed mixture of experts network for interpretable battery degradation trajectory computation amid second-life complexities
Retired electric vehicle batteries offer immense potential to support low-carbon energy systems, but uncertainties in their degradation behavior and data inaccessibilities under second-life use pose major barriers to safe and scalable deployment. This work proposes a Physics-Informed Mixture of Experts (PIMOE) network that computes battery degradation trajectories using partial, field-accessible signals in a single cycle. PIMOE leverages an adaptive multi-degradation prediction module to classify degradation modes using expert weight synthesis underpinned by capacity-voltage and relaxation data, producing latent degradation trend embeddings. These are input to a use-dependent recurrent network for long-term trajectory prediction. Validated on 207 batteries across 77 use conditions and 67,902 cycles, PIMOE achieves an average mean absolute percentage (MAPE) errors of 0.88% with a 0.43 ms inference time. Compared to the state-of-the-art Informer and PatchTST, it reduces computational time and MAPE by 50%, respectively. Compatible with random state of charge region sampling, PIMOE supports 150-cycle forecasts with 1.50% average and 6.26% maximum MAPE, and operates effectively even with pruned 5MB training data. Broadly, PIMOE framework offers a deployable, history-free solution for battery degradation trajectory computation, redefining how second-life energy storage systems are assessed, optimized, and integrated into the sustainable energy landscape.
☆ Pix2Geomodel: A Next-Generation Reservoir Geomodeling with Property-to-Property Translation
Accurate geological modeling is critical for reservoir characterization, yet traditional methods struggle with complex subsurface heterogeneity, and they have problems with conditioning to observed data. This study introduces Pix2Geomodel, a novel conditional generative adversarial network (cGAN) framework based on Pix2Pix, designed to predict reservoir properties (facies, porosity, permeability, and water saturation) from the Rotliegend reservoir of the Groningen gas field. Utilizing a 7.6 million-cell dataset from the Nederlandse Aardolie Maatschappij, accessed via EPOS-NL, the methodology included data preprocessing, augmentation to generate 2,350 images per property, and training with a U-Net generator and PatchGAN discriminator over 19,000 steps. Evaluation metrics include pixel accuracy (PA), mean intersection over union (mIoU), frequency weighted intersection over union (FWIoU), and visualizations assessed performance in masked property prediction and property-to-property translation tasks. Results demonstrated high accuracy for facies (PA 0.88, FWIoU 0.85) and water saturation (PA 0.96, FWIoU 0.95), with moderate success for porosity (PA 0.70, FWIoU 0.55) and permeability (PA 0.74, FWIoU 0.60), and robust translation performance (e.g., facies-to-facies PA 0.98, FWIoU 0.97). The framework captured spatial variability and geological realism, as validated by variogram analysis, and calculated the training loss curves for the generator and discriminator for each property. Compared to traditional methods, Pix2Geomodel offers enhanced fidelity in direct property mapping. Limitations include challenges with microstructural variability and 2D constraints, suggesting future integration of multi-modal data and 3D modeling (Pix2Geomodel v2.0). This study advances the application of generative AI in geoscience, supporting improved reservoir management and open science initiatives.
comment: 34 pages, 13 figures
♻ ☆ FedBaF: Federated Learning Aggregation Biased by a Foundation Model AISTATS 2025
Foundation models are now a major focus of leading technology organizations due to their ability to generalize across diverse tasks. Existing approaches for adapting foundation models to new applications often rely on Federated Learning (FL) and disclose the foundation model weights to clients when using it to initialize the global model. While these methods ensure client data privacy, they compromise model and information security. In this paper, we introduce Federated Learning Aggregation Biased by a Foundation Model (FedBaF), a novel method for dynamically integrating pre-trained foundation model weights during the FL aggregation phase. Unlike conventional methods, FedBaF preserves the confidentiality of the foundation model while still leveraging its power to train more accurate models, especially in non-IID and adversarial scenarios. Our comprehensive experiments use Pre-ResNet and foundation models like Vision Transformer to demonstrate that FedBaF not only matches, but often surpasses the test accuracy of traditional weight initialization methods by up to 11.4% in IID and up to 15.8% in non-IID settings. Additionally, FedBaF applied to a Transformer-based language model significantly reduced perplexity by up to 39.2%.
comment: Published at The 28th International Conference on Artificial Intelligence and Statistics (AISTATS 2025)
♻ ☆ Evaluating Rank-N-Contrast: Continuous and Robust Representations for Regression
This document is an evaluation of the original "Rank-N-Contrast" (arXiv:2210.01189v2) paper published in 2023. This evaluation is done for academic purposes. Deep regression models often fail to capture the continuous nature of sample orders, creating fragmented representations and suboptimal performance. To address this, we reproduced the Rank-N-Contrast (RNC) framework, which learns continuous representations by contrasting samples by their rankings in the target space. Our study validates RNC's theoretical and empirical benefits, including improved performance and robustness. We extended the evaluation to an additional regression dataset and conducted robustness tests using a holdout method, where a specific range of continuous data was excluded from the training set. This approach assessed the model's ability to generalize to unseen data and achieve state-of-the-art performance. This replication study validates the original findings and broadens the understanding of RNC's applicability and robustness.
♻ ☆ Sharper Bounds for Chebyshev Moment Matching, with Applications
We study the problem of approximately recovering a probability distribution given noisy measurements of its Chebyshev polynomial moments. This problem arises broadly across algorithms, statistics, and machine learning. By leveraging a global decay bound on the coefficients in the Chebyshev expansion of any Lipschitz function, we sharpen prior work, proving that accurate recovery in the Wasserstein distance is possible with more noise than previously known. Our result immediately yields a number of applications: 1) We give a simple "linear query" algorithm for constructing a differentially private synthetic data distribution with Wasserstein-$1$ error $\tilde{O}(1/n)$ based on a dataset of $n$ points in $[-1,1]$. This bound is optimal up to log factors, and matches a recent result of Boedihardjo, Strohmer, and Vershynin [Probab. Theory. Rel., 2024], which uses a more complex "superregular random walk" method. 2) We give an $\tilde{O}(n^2/\epsilon)$ time algorithm for the linear algebraic problem of estimating the spectral density of an $n\times n$ symmetric matrix up to $\epsilon$ error in the Wasserstein distance. Our result accelerates prior methods from Chen et al. [ICML 2021] and Braverman et al. [STOC 2022]. 3) We tighten an analysis of Vinayak, Kong, Valiant, and Kakade [ICML 2019] on the maximum likelihood estimator for the statistical problem of "Learning Populations of Parameters'', extending the parameter regime in which sample optimal results can be obtained. Beyond these main results, we provide an extension of our bound to estimating distributions in $d > 1$ dimensions. We hope that these bounds will find applications more broadly to problems involving distribution recovery from noisy moment information.
♻ ☆ Smooth InfoMax -- Towards Easier Post-Hoc Interpretability
We introduce Smooth InfoMax (SIM), a self-supervised representation learning method that incorporates interpretability constraints into the latent representations at different depths of the network. Based on $\beta$-VAEs, SIM's architecture consists of probabilistic modules optimized locally with the InfoNCE loss to produce Gaussian-distributed representations regularized toward the standard normal distribution. This creates smooth, well-defined, and better-disentangled latent spaces, enabling easier post-hoc analysis. Evaluated on speech data, SIM preserves the large-scale training benefits of Greedy InfoMax while improving the effectiveness of post-hoc interpretability methods across layers.
♻ ☆ Physics-informed KAN PointNet: Deep learning for simultaneous solutions to inverse problems in incompressible flow on numerous irregular geometries
Kolmogorov-Arnold Networks (KANs) have gained attention as an alternative to traditional multilayer perceptrons (MLPs) for deep learning applications in computational physics, particularly for solving inverse problems with sparse data, as exemplified by the physics-informed Kolmogorov-Arnold network (PIKAN). However, the capability of KANs to simultaneously solve inverse problems over multiple irregular geometries within a single training run remains unexplored. To address this gap, we introduce the physics-informed Kolmogorov-Arnold PointNet (PI-KAN-PointNet), in which shared KANs are integrated into the PointNet architecture to capture the geometric features of computational domains. The loss function comprises the squared residuals of the governing equations, computed via automatic differentiation, along with sparse observations and partially known boundary conditions. We construct shared KANs using Jacobi polynomials and investigate their performance by considering Jacobi polynomials of different degrees and types in terms of both computational cost and prediction accuracy. As a benchmark test case, we consider natural convection in a square enclosure with a cylinder, where the cylinder's shape varies across a dataset of 135 geometries. PI-KAN-PointNet offers two main advantages. First, it overcomes the limitation of current PIKANs, which are restricted to solving only a single computational domain per training run, thereby reducing computational costs. Second, when comparing the performance of PI-KAN-PointNet with that of the physics-informed PointNet using MLPs, we observe that, with approximately the same number of trainable parameters and comparable computational cost in terms of the number of epochs, training time per epoch, and memory usage, PI-KAN-PointNet yields more accurate predictions, particularly for values on unknown boundary conditions involving nonsmooth geometries.
♻ ☆ Enhancing Glucose Level Prediction of ICU Patients through Hierarchical Modeling of Irregular Time-Series
Accurately predicting blood glucose (BG) levels of ICU patients is critical, as both hypoglycemia (BG < 70 mg/dL) and hyperglycemia (BG > 180 mg/dL) are associated with increased morbidity and mortality. This study presents a proof-of-concept machine learning framework, the Multi-source Irregular Time-Series Transformer (MITST), designed to predict BG levels in ICU patients. In contrast to existing methods that rely heavily on manual feature engineering or utilize limited Electronic Health Record (EHR) data sources, MITST integrates diverse clinical data--including laboratory results, medications, and vital signs without predefined aggregation. The model leverages a hierarchical Transformer architecture, designed to capture interactions among features within individual timestamps, temporal dependencies across different timestamps, and semantic relationships across multiple data sources. Evaluated using the extensive eICU database (200,859 ICU stays across 208 hospitals), MITST achieves a statistically significant ( p < 0.001 ) average improvement of 1.7 percentage points (pp) in AUROC and 1.8 pp in AUPRC over a state-of-the-art random forest baseline. Crucially, for hypoglycemia--a rare but life-threatening condition--MITST increases sensitivity by 7.2 pp, potentially enabling hundreds of earlier interventions across ICU populations. The flexible architecture of MITST allows seamless integration of new data sources without retraining the entire model, enhancing its adaptability for clinical decision support. While this study focuses on predicting BG levels, we also demonstrate MITST's ability to generalize to a distinct clinical task (in-hospital mortality prediction), highlighting its potential for broader applicability in ICU settings. MITST thus offers a robust and extensible solution for analyzing complex, multi-source, irregular time-series data.
comment: 27 pages, 7 figures V3: Revised significantly. Added more appendix and a webserver demo
♻ ☆ Trajectory Prediction for Autonomous Driving: Progress, Limitations, and Future Directions
As the potential for autonomous vehicles to be integrated on a large scale into modern traffic systems continues to grow, ensuring safe navigation in dynamic environments is crucial for smooth integration. To guarantee safety and prevent collisions, autonomous vehicles must be capable of accurately predicting the trajectories of surrounding traffic agents. Over the past decade, significant efforts from both academia and industry have been dedicated to designing solutions for precise trajectory forecasting. These efforts have produced a diverse range of approaches, raising questions about the differences between these methods and whether trajectory prediction challenges have been fully addressed. This paper reviews a substantial portion of recent trajectory prediction methods proposing a taxonomy to classify existing solutions. A general overview of the prediction pipeline is also provided, covering input and output modalities, modeling features, and prediction paradigms existing in the literature. In addition, the paper discusses active research areas within trajectory prediction, addresses the posed research questions, and highlights the remaining research gaps and challenges.
♻ ☆ DUMP: Automated Distribution-Level Curriculum Learning for RL-based LLM Post-training
Recent advances in reinforcement learning (RL)-based post-training have led to notable improvements in large language models (LLMs), particularly in enhancing their reasoning capabilities to handle complex tasks. However, most existing methods treat the training data as a unified whole, overlooking the fact that modern LLM training often involves a mixture of data from diverse distributions-varying in both source and difficulty. This heterogeneity introduces a key challenge: how to adaptively schedule training across distributions to optimize learning efficiency. In this paper, we present a principled curriculum learning framework grounded in the notion of distribution-level learnability. Our core insight is that the magnitude of policy advantages reflects how much a model can still benefit from further training on a given distribution. Based on this, we propose a distribution-level curriculum learning framework for RL-based LLM post-training, which leverages the Upper Confidence Bound (UCB) principle to dynamically adjust sampling probabilities for different distrubutions. This approach prioritizes distributions with either high average advantage (exploitation) or low sample count (exploration), yielding an adaptive and theoretically grounded training schedule. We instantiate our curriculum learning framework with GRPO as the underlying RL algorithm and demonstrate its effectiveness on logic reasoning datasets with multiple difficulties and sources. Our experiments show that our framework significantly improves convergence speed and final performance, highlighting the value of distribution-aware curriculum strategies in LLM post-training. Code: https://github.com/ZhentingWang/DUMP.
♻ ☆ G-Adaptivity: optimised graph-based mesh relocation for finite element methods
We present a novel, and effective, approach to achieve optimal mesh relocation in finite element methods (FEMs). The cost and accuracy of FEMs is critically dependent on the choice of mesh points. Mesh relocation (r-adaptivity) seeks to optimise the mesh geometry to obtain the best solution accuracy at given computational budget. Classical r-adaptivity relies on the solution of a separate nonlinear "meshing" PDE to determine mesh point locations. This incurs significant cost at remeshing, and relies on estimates that relate interpolation- and FEM-error. Recent machine learning approaches have focused on the construction of fast surrogates for such classical methods. Instead, our new approach trains a graph neural network (GNN) to determine mesh point locations by directly minimising the FE solution error from the PDE system Firedrake to achieve higher solution accuracy. Our GNN architecture closely aligns the mesh solution space to that of classical meshing methodologies, thus replacing classical estimates for optimality with a learnable strategy. This allows for rapid and robust training and results in an extremely efficient and effective GNN approach to online r-adaptivity. Our method outperforms both classical, and prior ML, approaches to r-adaptive meshing. In particular, it achieves lower FE solution error, whilst retaining the significant speed-up over classical methods observed in prior ML work.
♻ ☆ SCISSOR: Mitigating Semantic Bias through Cluster-Aware Siamese Networks for Robust Classification ICML
Shortcut learning undermines model generalization to out-of-distribution data. While the literature attributes shortcuts to biases in superficial features, we show that imbalances in the semantic distribution of sample embeddings induce spurious semantic correlations, compromising model robustness. To address this issue, we propose SCISSOR (Semantic Cluster Intervention for Suppressing ShORtcut), a Siamese network-based debiasing approach that remaps the semantic space by discouraging latent clusters exploited as shortcuts. Unlike prior data-debiasing approaches, SCISSOR eliminates the need for data augmentation and rewriting. We evaluate SCISSOR on 6 models across 4 benchmarks: Chest-XRay and Not-MNIST in computer vision, and GYAFC and Yelp in NLP tasks. Compared to several baselines, SCISSOR reports +5.3 absolute points in F1 score on GYAFC, +7.3 on Yelp, +7.7 on Chest-XRay, and +1 on Not-MNIST. SCISSOR is also highly advantageous for lightweight models with ~9.5% improvement on F1 for ViT on computer vision datasets and ~11.9% for BERT on NLP. Our study redefines the landscape of model generalization by addressing overlooked semantic biases, establishing SCISSOR as a foundational framework for mitigating shortcut learning and fostering more robust, bias-resistant AI systems.
comment: Accepted to the International Conference on Machine Learning (ICML) 2025
♻ ☆ Kernel Limit of Recurrent Neural Networks Trained on Ergodic Data Sequences
Mathematical methods are developed to characterize the asymptotics of recurrent neural networks (RNN) as the number of hidden units, data samples in the sequence, hidden state updates, and training steps simultaneously grow to infinity. In the case of an RNN with a simplified weight matrix, we prove the convergence of the RNN to the solution of an infinite-dimensional ODE coupled with the fixed point of a random algebraic equation. The analysis requires addressing several challenges which are unique to RNNs. In typical mean-field applications (e.g., feedforward neural networks), discrete updates are of magnitude $\mathcal{O}(\frac{1}{N})$ and the number of updates is $\mathcal{O}(N)$. Therefore, the system can be represented as an Euler approximation of an appropriate ODE/PDE, which it will converge to as $N \rightarrow \infty$. However, the RNN hidden layer updates are $\mathcal{O}(1)$. Therefore, RNNs cannot be represented as a discretization of an ODE/PDE and standard mean-field techniques cannot be applied. Instead, we develop a fixed point analysis for the evolution of the RNN memory states, with convergence estimates in terms of the number of update steps and the number of hidden units. The RNN hidden layer is studied as a function in a Sobolev space, whose evolution is governed by the data sequence (a Markov chain), the parameter updates, and its dependence on the RNN hidden layer at the previous time step. Due to the strong correlation between updates, a Poisson equation must be used to bound the fluctuations of the RNN around its limit equation. These mathematical methods give rise to the neural tangent kernel (NTK) limits for RNNs trained on data sequences as the number of data samples and size of the neural network grow to infinity.
comment: Revision in response to reviewers' comments. The mean-field random function has been replaced by a mean-field term. Some typos fixed
Genomics 1
☆ Improving Genomic Models via Task-Specific Self-Pretraining
Pretraining DNA language models (DNALMs) on the full human genome is resource-intensive, yet often considered necessary for strong downstream performance. Inspired by recent findings in NLP and long-context modeling, we explore an alternative: self-pretraining on task-specific, unlabeled data. Using the BEND benchmark, we show that DNALMs trained with self-pretraining match or exceed the performance of models trained from scratch under identical compute. While genome-scale pretraining may still offer higher absolute performance, task-specific self-pretraining provides a practical and compute-efficient strategy for building stronger supervised baselines.
comment: 4 pages
Quantitative Methods 2
♻ ☆ Enhancing Glucose Level Prediction of ICU Patients through Hierarchical Modeling of Irregular Time-Series
Accurately predicting blood glucose (BG) levels of ICU patients is critical, as both hypoglycemia (BG < 70 mg/dL) and hyperglycemia (BG > 180 mg/dL) are associated with increased morbidity and mortality. This study presents a proof-of-concept machine learning framework, the Multi-source Irregular Time-Series Transformer (MITST), designed to predict BG levels in ICU patients. In contrast to existing methods that rely heavily on manual feature engineering or utilize limited Electronic Health Record (EHR) data sources, MITST integrates diverse clinical data--including laboratory results, medications, and vital signs without predefined aggregation. The model leverages a hierarchical Transformer architecture, designed to capture interactions among features within individual timestamps, temporal dependencies across different timestamps, and semantic relationships across multiple data sources. Evaluated using the extensive eICU database (200,859 ICU stays across 208 hospitals), MITST achieves a statistically significant ( p < 0.001 ) average improvement of 1.7 percentage points (pp) in AUROC and 1.8 pp in AUPRC over a state-of-the-art random forest baseline. Crucially, for hypoglycemia--a rare but life-threatening condition--MITST increases sensitivity by 7.2 pp, potentially enabling hundreds of earlier interventions across ICU populations. The flexible architecture of MITST allows seamless integration of new data sources without retraining the entire model, enhancing its adaptability for clinical decision support. While this study focuses on predicting BG levels, we also demonstrate MITST's ability to generalize to a distinct clinical task (in-hospital mortality prediction), highlighting its potential for broader applicability in ICU settings. MITST thus offers a robust and extensible solution for analyzing complex, multi-source, irregular time-series data.
comment: 27 pages, 7 figures V3: Revised significantly. Added more appendix and a webserver demo
♻ ☆ Modelling collective cell migration in a data-rich age: challenges and opportunities for data-driven modelling
Mathematical modelling has a long history in the context of collective cell migration, with applications throughout development, disease and regenerative medicine. The aim of modelling in this context is to provide a framework in which to mathematically encode experimentally derived mechanistic hypotheses, and then to test and validate them to provide new insights and understanding. Traditionally, mathematical models have consisted of systems of partial differential equations that model the evolution of cell density over time, together with the dynamics of any associated biochemical signals or the underlying substrate. The various terms in the model are usually chosen to provide simplified, phenomenological descriptions of the underlying biology, and follow long-standing conventions in the field. However, with the recent development of a plethora of new experimental technologies that provide quantitative data on collective cell migration processes, we now have the opportunity to leverage statistical and machine learning tools to determine mathematical models directly from the data. This perspectives article aims to provide an overview of recently developed data-driven modelling approaches, outlining the main methodologies and the challenges involved in using them to interrogate real-world data relating to collective cell migration.
comment: 22 pages, 3 figures
Computation and Language 77
☆ Fine-Tuning Lowers Safety and Disrupts Evaluation Consistency
Fine-tuning a general-purpose large language model (LLM) for a specific domain or task has become a routine procedure for ordinary users. However, fine-tuning is known to remove the safety alignment features of the model, even when the fine-tuning data does not contain any harmful content. We consider this to be a critical failure mode of LLMs due to the widespread uptake of fine-tuning, combined with the benign nature of the "attack". Most well-intentioned developers are likely unaware that they are deploying an LLM with reduced safety. On the other hand, this known vulnerability can be easily exploited by malicious actors intending to bypass safety guardrails. To make any meaningful progress in mitigating this issue, we first need reliable and reproducible safety evaluations. In this work, we investigate how robust a safety benchmark is to trivial variations in the experimental procedure, and the stochastic nature of LLMs. Our initial experiments expose surprising variance in the results of the safety evaluation, even when seemingly inconsequential changes are made to the fine-tuning setup. Our observations have serious implications for how researchers in this field should report results to enable meaningful comparisons in the future.
comment: to appear at LLMSEC 2025
☆ Dissecting the SWE-Bench Leaderboards: Profiling Submitters and Architectures of LLM- and Agent-Based Repair Systems
The rapid progress in Automated Program Repair (APR) has been driven by advances in AI, particularly large language models (LLMs) and agent-based systems. SWE-Bench is a recent benchmark designed to evaluate LLM-based repair systems using real issues and pull requests mined from 12 popular open-source Python repositories. Its public leaderboards, SWE-Bench Lite and SWE-Bench Verified, have become central platforms for tracking progress and comparing solutions. However, because the submission process does not require detailed documentation, the architectural design and origin of many solutions remain unclear. In this paper, we present the first comprehensive study of all submissions to the SWE-Bench Lite (68 entries) and Verified (79 entries) leaderboards, analyzing 67 unique approaches across dimensions such as submitter type, product availability, LLM usage, and system architecture. Our findings reveal the dominance of proprietary LLMs (especially Claude 3.5/3.7), the presence of both agentic and non-agentic designs, and a contributor base spanning from individual developers to large tech companies.
☆ Towards AI Search Paradigm
In this paper, we introduce the AI Search Paradigm, a comprehensive blueprint for next-generation search systems capable of emulating human information processing and decision-making. The paradigm employs a modular architecture of four LLM-powered agents (Master, Planner, Executor and Writer) that dynamically adapt to the full spectrum of information needs, from simple factual queries to complex multi-stage reasoning tasks. These agents collaborate dynamically through coordinated workflows to evaluate query complexity, decompose problems into executable plans, and orchestrate tool usage, task execution, and content synthesis. We systematically present key methodologies for realizing this paradigm, including task planning and tool integration, execution strategies, aligned and robust retrieval-augmented generation, and efficient LLM inference, spanning both algorithmic techniques and infrastructure-level optimizations. By providing an in-depth guide to these foundational components, this work aims to inform the development of trustworthy, adaptive, and scalable AI search systems.
☆ CLEAR-3K: Assessing Causal Explanatory Capabilities in Language Models
We introduce CLEAR-3K, a dataset of 3,000 assertion-reasoning questions designed to evaluate whether language models can determine if one statement causally explains another. Each question present an assertion-reason pair and challenge language models to distinguish between semantic relatedness and genuine causal explanatory relationships. Through comprehensive evaluation of 21 state-of-the-art language models (ranging from 0.5B to 72B parameters), we identify two fundamental findings. First, language models frequently confuse semantic similarity with causality, relying on lexical and semantic overlap instead of inferring actual causal explanatory relationships. Second, as parameter size increases, models tend to shift from being overly skeptical about causal relationships to being excessively permissive in accepting them. Despite this shift, performance measured by the Matthews Correlation Coefficient plateaus at just 0.55, even for the best-performing models.Hence, CLEAR-3K provides a crucial benchmark for developing and evaluating genuine causal reasoning in language models, which is an essential capability for applications that require accurate assessment of causal relationships.
Cache Me If You Can: How Many KVs Do You Need for Effective Long-Context LMs?
Language models handle increasingly long contexts for tasks such as book summarization, but this leads to growing memory costs for the key-value (KV) cache. Many prior works have proposed ways of discarding KVs from memory, but their approaches are tailored to favorable settings, obscuring caveats like high peak memory and performance degradation, and a fair comparison between methods is difficult. In this paper, we propose the *KV footprint* as a unified metric, which accounts for both the amount of KV entries stored and their lifespan in memory. We evaluate methods based on the smallest footprint they attain while preserving performance in both long-context understanding and generation, with context lengths of up to 128K tokens. This metric reveals the high peak memory of prior KV eviction methods. One class of methods -- *post-fill eviction* -- has a high footprint due to being incompatible with eviction during pre-filling. We adapt these methods to be able to evict KVs during pre-filling, achieving substantially lower KV footprints. We then turn to *recency eviction* methods, wherein we propose PruLong, an end-to-end optimization method for learning which attention heads need to retain the full KV cache and which do not. PruLong saves memory while preserving long-context performance, achieving 12% smaller KV footprint than prior methods while retaining performance in challenging recall tasks. Our paper clarifies the complex tangle of long-context inference methods and paves the way for future development to minimize the KV footprint.
comment: We release our code publicly at https://github.com/princeton-pli/PruLong
☆ MEXA: Towards General Multimodal Reasoning with Dynamic Multi-Expert Aggregation
Combining pre-trained expert models offers substantial potential for scalable multimodal reasoning, but building a unified framework remains challenging due to the increasing diversity of input modalities and task complexity. For instance, medical diagnosis requires precise reasoning over structured clinical tables, while financial forecasting depends on interpreting plot-based data to make informed predictions. To tackle this challenge, we introduce MEXA, a training-free framework that performs modality- and task-aware aggregation of multiple expert models to enable effective multimodal reasoning across diverse and distinct domains. MEXA dynamically selects expert models based on the input modality and the task-specific reasoning demands (i.e., skills). Each expert model, specialized in a modality task pair, generates interpretable textual reasoning outputs. MEXA then aggregates and reasons over these outputs using a Large Reasoning Model (LRM) to produce the final answer. This modular design allows flexible and transparent multimodal reasoning across diverse domains without additional training overhead. We extensively evaluate our approach on diverse multimodal benchmarks, including Video Reasoning, Audio Reasoning, 3D Understanding, and Medical QA. MEXA consistently delivers performance improvements over strong multimodal baselines, highlighting the effectiveness and broad applicability of our expert-driven selection and aggregation in diverse multimodal reasoning tasks.
comment: The first two authors contributed equally; Github link: https://github.com/Yui010206/MEXA
☆ Are Bias Evaluation Methods Biased ? ACL 2025
The creation of benchmarks to evaluate the safety of Large Language Models is one of the key activities within the trusted AI community. These benchmarks allow models to be compared for different aspects of safety such as toxicity, bias, harmful behavior etc. Independent benchmarks adopt different approaches with distinct data sets and evaluation methods. We investigate how robust such benchmarks are by using different approaches to rank a set of representative models for bias and compare how similar are the overall rankings. We show that different but widely used bias evaluations methods result in disparate model rankings. We conclude with recommendations for the community in the usage of such benchmarks.
comment: Accepted to ACL 2025 Workshop GEM
☆ Better Language Model Inversion by Compactly Representing Next-Token Distributions
Language model inversion seeks to recover hidden prompts using only language model outputs. This capability has implications for security and accountability in language model deployments, such as leaking private information from an API-protected language model's system message. We propose a new method -- prompt inversion from logprob sequences (PILS) -- that recovers hidden prompts by gleaning clues from the model's next-token probabilities over the course of multiple generation steps. Our method is enabled by a key insight: The vector-valued outputs of a language model occupy a low-dimensional subspace. This enables us to losslessly compress the full next-token probability distribution over multiple generation steps using a linear map, allowing more output information to be used for inversion. Our approach yields massive gains over previous state-of-the-art methods for recovering hidden prompts, achieving 2--3.5 times higher exact recovery rates across test sets, in one case increasing the recovery rate from 17% to 60%. Our method also exhibits surprisingly good generalization behavior; for instance, an inverter trained on 16 generations steps gets 5--27 points higher prompt recovery when we increase the number of steps to 32 at test time. Furthermore, we demonstrate strong performance of our method on the more challenging task of recovering hidden system messages. We also analyze the role of verbatim repetition in prompt recovery and propose a new method for cross-family model transfer for logit-based inverters. Our findings show that next-token probabilities are a considerably more vulnerable attack surface for inversion attacks than previously known.
☆ Chain-of-Thought Prompting Obscures Hallucination Cues in Large Language Models: An Empirical Evaluation
Large Language Models (LLMs) often exhibit \textit{hallucinations}, generating factually incorrect or semantically irrelevant content in response to prompts. Chain-of-Thought (CoT) prompting can mitigate hallucinations by encouraging step-by-step reasoning, but its impact on hallucination detection remains underexplored. To bridge this gap, we conduct a systematic empirical evaluation. We begin with a pilot experiment, revealing that CoT reasoning significantly affects the LLM's internal states and token probability distributions. Building on this, we evaluate the impact of various CoT prompting methods on mainstream hallucination detection methods across both instruction-tuned and reasoning-oriented LLMs. Specifically, we examine three key dimensions: changes in hallucination score distributions, variations in detection accuracy, and shifts in detection confidence. Our findings show that while CoT prompting helps reduce hallucination frequency, it also tends to obscure critical signals used for detection, impairing the effectiveness of various detection methods. Our study highlights an overlooked trade-off in the use of reasoning. Code is publicly available at: https://anonymous.4open.science/r/cot-hallu-detect.
☆ Tower+: Bridging Generality and Translation Specialization in Multilingual LLMs
Fine-tuning pretrained LLMs has been shown to be an effective strategy for reaching state-of-the-art performance on specific tasks like machine translation. However, this process of adaptation often implies sacrificing general-purpose capabilities, such as conversational reasoning and instruction-following, hampering the utility of the system in real-world applications that require a mixture of skills. In this paper, we introduce Tower+, a suite of models designed to deliver strong performance across both translation and multilingual general-purpose text capabilities. We achieve a Pareto frontier between translation specialization and multilingual general-purpose capabilities by introducing a novel training recipe that builds on Tower (Alves et al., 2024), comprising continued pretraining, supervised fine-tuning, preference optimization, and reinforcement learning with verifiable rewards. At each stage of training, we carefully generate and curate data to strengthen performance on translation as well as general-purpose tasks involving code generation, mathematics problem solving, and general instruction-following. We develop models at multiple scales: 2B, 9B, and 72B. Our smaller models often outperform larger general-purpose open-weight and proprietary LLMs (e.g., Llama 3.3 70B, GPT-4o). Our largest model delivers best-in-class translation performance for high-resource languages and top results in multilingual Arena Hard evaluations and in IF-MT, a benchmark we introduce for evaluating both translation and instruction-following. Our findings highlight that it is possible to rival frontier models in general capabilities, while optimizing for specific business domains, such as translation and localization.
☆ Simultaneous Translation with Offline Speech and LLM Models in CUNI Submission to IWSLT 2025
This paper describes Charles University submission to the Simultaneous Speech Translation Task of the IWSLT 2025. We cover all four language pairs with a direct or cascade approach. The backbone of our systems is the offline Whisper speech model, which we use for both translation and transcription in simultaneous mode with the state-of-the-art simultaneous policy AlignAtt. We further improve the performance by prompting to inject in-domain terminology, and we accommodate context. Our cascaded systems further use EuroLLM for unbounded simultaneous translation. Compared to the Organizers' baseline, our systems improve by 2 BLEU points on Czech to English and 13-22 BLEU points on English to German, Chinese and Japanese on the development sets. Additionally, we also propose a new enhanced measure of speech recognition latency.
comment: IWSLT 2025
☆ From Concepts to Components: Concept-Agnostic Attention Module Discovery in Transformers
Transformers have achieved state-of-the-art performance across language and vision tasks. This success drives the imperative to interpret their internal mechanisms with the dual goals of enhancing performance and improving behavioral control. Attribution methods help advance interpretability by assigning model outputs associated with a target concept to specific model components. Current attribution research primarily studies multi-layer perceptron neurons and addresses relatively simple concepts such as factual associations (e.g., Paris is located in France). This focus tends to overlook the impact of the attention mechanism and lacks a unified approach for analyzing more complex concepts. To fill these gaps, we introduce Scalable Attention Module Discovery (SAMD), a concept-agnostic method for mapping arbitrary, complex concepts to specific attention heads of general transformer models. We accomplish this by representing each concept as a vector, calculating its cosine similarity with each attention head, and selecting the TopK-scoring heads to construct the concept-associated attention module. We then propose Scalar Attention Module Intervention (SAMI), a simple strategy to diminish or amplify the effects of a concept by adjusting the attention module using only a single scalar parameter. Empirically, we demonstrate SAMD on concepts of varying complexity, and visualize the locations of their corresponding modules. Our results demonstrate that module locations remain stable before and after LLM post-training, and confirm prior work on the mechanics of LLM multilingualism. Through SAMI, we facilitate jailbreaking on HarmBench (+72.7%) by diminishing "safety" and improve performance on the GSM8K benchmark (+1.6%) by amplifying "reasoning". Lastly, we highlight the domain-agnostic nature of our approach by suppressing the image classification accuracy of vision transformers on ImageNet.
☆ MUCAR: Benchmarking Multilingual Cross-Modal Ambiguity Resolution for Multimodal Large Language Models
Multimodal Large Language Models (MLLMs) have demonstrated significant advances across numerous vision-language tasks. Due to their strong image-text alignment capability, MLLMs can effectively understand image-text pairs with clear meanings. However, effectively resolving the inherent ambiguities in natural language and visual contexts remains challenging. Existing multimodal benchmarks typically overlook linguistic and visual ambiguities, relying mainly on unimodal context for disambiguation and thus failing to exploit the mutual clarification potential between modalities. To bridge this gap, we introduce MUCAR, a novel and challenging benchmark designed explicitly for evaluating multimodal ambiguity resolution across multilingual and cross-modal scenarios. MUCAR includes: (1) a multilingual dataset where ambiguous textual expressions are uniquely resolved by corresponding visual contexts, and (2) a dual-ambiguity dataset that systematically pairs ambiguous images with ambiguous textual contexts, with each combination carefully constructed to yield a single, clear interpretation through mutual disambiguation. Extensive evaluations involving 19 state-of-the-art multimodal models--encompassing both open-source and proprietary architectures--reveal substantial gaps compared to human-level performance, highlighting the need for future research into more sophisticated cross-modal ambiguity comprehension methods, further pushing the boundaries of multimodal reasoning.
☆ Instituto de Telecomunicações at IWSLT 2025: Aligning Small-Scale Speech and Language Models for Speech-to-Text Learning
This paper presents the IT-IST submission to the IWSLT 2025 Shared Task on Instruction Following Speech Processing. We submit results for the Short Track, i.e., speech recognition, translation, and spoken question answering. Our model is a unified speech-to-text model that integrates a pre-trained continuous speech encoder and text decoder through a first phase of modality alignment and a second phase of instruction fine-tuning. Crucially, we focus on using small-scale language model backbones (< 2B) and restrict to high-quality, CC-BY data along with synthetic data generation to supplement existing resources.
comment: 7 pages, 1 figure, IWSLT 2025
LLM-Generated Feedback Supports Learning If Learners Choose to Use It
Large language models (LLMs) are increasingly used to generate feedback, yet their impact on learning remains underexplored, especially compared to existing feedback methods. This study investigates how on-demand LLM-generated explanatory feedback influences learning in seven scenario-based tutor training lessons. Analyzing over 2,600 lesson completions from 885 tutor learners, we compare posttest performance among learners across three groups: learners who received feedback generated by gpt-3.5-turbo, those who declined it, and those without access. All groups received non-LLM corrective feedback. To address potential selection bias-where higher-performing learners may be more inclined to use LLM feedback-we applied propensity scoring. Learners with a higher predicted likelihood of engaging with LLM feedback scored significantly higher at posttest than those with lower propensity. After adjusting for this effect, two out of seven lessons showed statistically significant learning benefits from LLM feedback with standardized effect sizes of 0.28 and 0.33. These moderate effects suggest that the effectiveness of LLM feedback depends on the learners' tendency to seek support. Importantly, LLM feedback did not significantly increase completion time, and learners overwhelmingly rated it as helpful. These findings highlight LLM feedback's potential as a low-cost and scalable way to improve learning on open-ended tasks, particularly in existing systems already providing feedback without LLMs. This work contributes open datasets, LLM prompts, and rubrics to support reproducibility.
comment: Full research paper accepted at EC-TEL '25
☆ PersonalAI: Towards digital twins in the graph form
The challenge of personalizing language models, specifically the ability to account for a user's history during interactions, is of significant interest. Despite recent advancements in large language models (LLMs) and Retrieval Augmented Generation that have enhanced the factual base of LLMs, the task of retaining extensive personal information and using it to generate personalized responses remains pertinent. To address this, we propose utilizing external memory in the form of knowledge graphs, which are constructed and updated by the LLM itself. We have expanded upon ideas of AriGraph architecture and for the first time introduced a combined graph featuring both standard edges and two types of hyperedges. Experiments conducted on the TriviaQA, HotpotQA and DiaASQ benchmarks indicates that this approach aids in making the process of graph construction and knowledge extraction unified and robust. Furthermore, we augmented the DiaASQ benchmark by incorporating parameters such as time into dialogues and introducing contradictory statements made by the same speaker at different times. Despite these modifications, the performance of the question-answering system remained robust, demonstrating the proposed architecture's ability to maintain and utilize temporal dependencies.
☆ TeXpert: A Multi-Level Benchmark for Evaluating LaTeX Code Generation by LLMs ACL 2025
LaTeX's precision and flexibility in typesetting have made it the gold standard for the preparation of scientific documentation. Large Language Models (LLMs) present a promising opportunity for researchers to produce publication-ready material using LaTeX with natural language instructions, yet current benchmarks completely lack evaluation of this ability. By introducing TeXpert, our benchmark dataset with natural language prompts for generating LaTeX code focused on components of scientific documents across multiple difficulty levels, we conduct an in-depth analysis of LLM performance in this regard and identify frequent error types. Our evaluation across open and closed-source LLMs highlights multiple key findings: LLMs excelling on standard benchmarks perform poorly in LaTeX generation with a significant accuracy drop-off as the complexity of tasks increases; open-source models like DeepSeek v3 and DeepSeek Coder strongly rival closed-source counterparts in LaTeX tasks; and formatting and package errors are unexpectedly prevalent, suggesting a lack of diverse LaTeX examples in the training datasets of most LLMs. Our dataset, code, and model evaluations are available at https://github.com/knowledge-verse-ai/TeXpert.
comment: Accepted to the SDProc Workshop @ ACL 2025
☆ Language Bottleneck Models: A Framework for Interpretable Knowledge Tracing and Beyond
Accurately assessing student knowledge is critical for effective education, yet traditional Knowledge Tracing (KT) methods rely on opaque latent embeddings, limiting interpretability. Even LLM-based approaches generate direct predictions or summaries that may hallucinate without any accuracy guarantees. We recast KT as an inverse problem: learning the minimum natural-language summary that makes past answers explainable and future answers predictable. Our Language Bottleneck Model (LBM) consists of an encoder LLM that writes an interpretable knowledge summary and a frozen decoder LLM that must reconstruct and predict student responses using only that summary text. By constraining all predictive information to pass through a short natural-language bottleneck, LBMs ensure that the summary contains accurate information while remaining human-interpretable. Experiments on synthetic arithmetic benchmarks and the large-scale Eedi dataset show that LBMs rival the accuracy of state-of-the-art KT and direct LLM methods while requiring orders-of-magnitude fewer student trajectories. We demonstrate that training the encoder with group-relative policy optimization, using downstream decoding accuracy as a reward signal, effectively improves summary quality.
☆ Latent Concept Disentanglement in Transformer-based Language Models
When large language models (LLMs) use in-context learning (ICL) to solve a new task, they seem to grasp not only the goal of the task but also core, latent concepts in the demonstration examples. This begs the question of whether transformers represent latent structures as part of their computation or whether they take shortcuts to solve the problem. Prior mechanistic work on ICL does not address this question because it does not sufficiently examine the relationship between the learned representation and the latent concept, and the considered problem settings often involve only single-step reasoning. In this work, we examine how transformers disentangle and use latent concepts. We show that in 2-hop reasoning tasks with a latent, discrete concept, the model successfully identifies the latent concept and does step-by-step concept composition. In tasks parameterized by a continuous latent concept, we find low-dimensional subspaces in the representation space where the geometry mimics the underlying parameterization. Together, these results refine our understanding of ICL and the representation of transformers, and they provide evidence for highly localized structures in the model that disentangle latent concepts in ICL tasks.
☆ Enhancing Step-by-Step and Verifiable Medical Reasoning in MLLMs
Multimodal large language models (MLLMs) have begun to demonstrate robust reasoning capabilities on general tasks, yet their application in the medical domain remains in its early stages. Constructing chain-of-thought (CoT) training data is essential for bolstering the reasoning abilities of medical MLLMs. However, existing approaches exhibit a deficiency in offering a comprehensive framework for searching and evaluating effective reasoning paths towards critical diagnosis. To address this challenge, we propose Mentor-Intern Collaborative Search (MICS), a novel reasoning-path searching scheme to generate rigorous and effective medical CoT data. MICS first leverages mentor models to initialize the reasoning, one step at a time, then prompts each intern model to continue the thinking along those initiated paths, and finally selects the optimal reasoning path according to the overall reasoning performance of multiple intern models. The reasoning performance is determined by an MICS-Score, which assesses the quality of generated reasoning paths. Eventually, we construct MMRP, a multi-task medical reasoning dataset with ranked difficulty, and Chiron-o1, a new medical MLLM devised via a curriculum learning strategy, with robust visual question-answering and generalizable reasoning capabilities. Extensive experiments demonstrate that Chiron-o1, trained on our CoT dataset constructed using MICS, achieves state-of-the-art performance across a list of medical visual question answering and reasoning benchmarks. Codes are available at GitHub - manglu097/Chiron-o1: Enhancing Step-by-Step and Verifiable Medical Reasoning in MLLMs
☆ From Data to Knowledge: Evaluating How Efficiently Language Models Learn Facts ACL 2025
Sample efficiency is a crucial property of language models with practical implications for training efficiency. In real-world text, information follows a long-tailed distribution. Yet, we expect models to learn and recall frequent and infrequent facts. Sample-efficient models are better equipped to handle this challenge of learning and retaining rare information without requiring excessive exposure. This study analyzes multiple models of varying architectures and sizes, all trained on the same pre-training data. By annotating relational facts with their frequencies in the training corpus, we examine how model performance varies with fact frequency. Our findings show that most models perform similarly on high-frequency facts but differ notably on low-frequency facts. This analysis provides new insights into the relationship between model architecture, size, and factual learning efficiency.
comment: Accepted to the First Workshop on Large Language Model Memorization (L2M2), co-located with ACL 2025 in Vienna
☆ MIST: Jailbreaking Black-box Large Language Models via Iterative Semantic Tuning
Despite efforts to align large language models (LLMs) with societal and moral values, these models remain susceptible to jailbreak attacks--methods designed to elicit harmful responses. Jailbreaking black-box LLMs is considered challenging due to the discrete nature of token inputs, restricted access to the target LLM, and limited query budget. To address the issues above, we propose an effective method for jailbreaking black-box large language Models via Iterative Semantic Tuning, named MIST. MIST enables attackers to iteratively refine prompts that preserve the original semantic intent while inducing harmful content. Specifically, to balance semantic similarity with computational efficiency, MIST incorporates two key strategies: sequential synonym search, and its advanced version--order-determining optimization. Extensive experiments across two open-source models and four closed-source models demonstrate that MIST achieves competitive attack success rates and attack transferability compared with other state-of-the-art white-box and black-box jailbreak methods. Additionally, we conduct experiments on computational efficiency to validate the practical viability of MIST.
comment: 12 pages, 3 figures
☆ DistillNote: LLM-based clinical note summaries improve heart failure diagnosis
Large language models (LLMs) offer unprecedented opportunities to generate concise summaries of patient information and alleviate the burden of clinical documentation that overwhelms healthcare providers. We present Distillnote, a framework for LLM-based clinical note summarization, and generate over 64,000 admission note summaries through three techniques: (1) One-step, direct summarization, and a divide-and-conquer approach involving (2) Structured summarization focused on independent clinical insights, and (3) Distilled summarization that further condenses the Structured summaries. We test how useful are the summaries by using them to predict heart failure compared to a model trained on the original notes. Distilled summaries achieve 79% text compression and up to 18.2% improvement in AUPRC compared to an LLM trained on the full notes. We also evaluate the quality of the generated summaries in an LLM-as-judge evaluation as well as through blinded pairwise comparisons with clinicians. Evaluations indicate that one-step summaries are favoured by clinicians according to relevance and clinical actionability, while distilled summaries offer optimal efficiency (avg. 6.9x compression-to-performance ratio) and significantly reduce hallucinations. We release our summaries on PhysioNet to encourage future research.
☆ Cross-Modal Obfuscation for Jailbreak Attacks on Large Vision-Language Models
Large Vision-Language Models (LVLMs) demonstrate exceptional performance across multimodal tasks, yet remain vulnerable to jailbreak attacks that bypass built-in safety mechanisms to elicit restricted content generation. Existing black-box jailbreak methods primarily rely on adversarial textual prompts or image perturbations, yet these approaches are highly detectable by standard content filtering systems and exhibit low query and computational efficiency. In this work, we present Cross-modal Adversarial Multimodal Obfuscation (CAMO), a novel black-box jailbreak attack framework that decomposes malicious prompts into semantically benign visual and textual fragments. By leveraging LVLMs' cross-modal reasoning abilities, CAMO covertly reconstructs harmful instructions through multi-step reasoning, evading conventional detection mechanisms. Our approach supports adjustable reasoning complexity and requires significantly fewer queries than prior attacks, enabling both stealth and efficiency. Comprehensive evaluations conducted on leading LVLMs validate CAMO's effectiveness, showcasing robust performance and strong cross-model transferability. These results underscore significant vulnerabilities in current built-in safety mechanisms, emphasizing an urgent need for advanced, alignment-aware security and safety solutions in vision-language systems.
comment: 15 pages, 9 figures
☆ SocialSim: Towards Socialized Simulation of Emotional Support Conversation AAAI 2025
Emotional support conversation (ESC) helps reduce people's psychological stress and provide emotional value through interactive dialogues. Due to the high cost of crowdsourcing a large ESC corpus, recent attempts use large language models for dialogue augmentation. However, existing approaches largely overlook the social dynamics inherent in ESC, leading to less effective simulations. In this paper, we introduce SocialSim, a novel framework that simulates ESC by integrating key aspects of social interactions: social disclosure and social awareness. On the seeker side, we facilitate social disclosure by constructing a comprehensive persona bank that captures diverse and authentic help-seeking scenarios. On the supporter side, we enhance social awareness by eliciting cognitive reasoning to generate logical and supportive responses. Building upon SocialSim, we construct SSConv, a large-scale synthetic ESC corpus of which quality can even surpass crowdsourced ESC data. We further train a chatbot on SSConv and demonstrate its state-of-the-art performance in both automatic and human evaluations. We believe SocialSim offers a scalable way to synthesize ESC, making emotional care more accessible and practical.
comment: AAAI 2025 Paper #32116 (Without Publication Edits)
☆ Language-Informed Synthesis of Rational Agent Models for Grounded Theory-of-Mind Reasoning On-The-Fly
Drawing real world social inferences usually requires taking into account information from multiple modalities. Language is a particularly powerful source of information in social settings, especially in novel situations where language can provide both abstract information about the environment dynamics and concrete specifics about an agent that cannot be easily visually observed. In this paper, we propose Language-Informed Rational Agent Synthesis (LIRAS), a framework for drawing context-specific social inferences that integrate linguistic and visual inputs. LIRAS frames multimodal social reasoning as a process of constructing structured but situation-specific agent and environment representations - leveraging multimodal language models to parse language and visual inputs into unified symbolic representations, over which a Bayesian inverse planning engine can be run to produce granular probabilistic judgments. On a range of existing and new social reasoning tasks derived from cognitive science experiments, we find that our model (instantiated with a comparatively lightweight VLM) outperforms ablations and state-of-the-art models in capturing human judgments across all domains.
comment: 5 figures, 19 pages
☆ LM-SPT: LM-Aligned Semantic Distillation for Speech Tokenization
With the rapid progress of speech language models (SLMs), discrete speech tokens have emerged as a core interface between speech and text, enabling unified modeling across modalities. Recent speech tokenization approaches aim to isolate semantic information from low-level acoustics to better align with language models. In particular, previous methods use SSL teachers such as HuBERT to extract semantic representations, which are then distilled into a semantic quantizer to suppress acoustic redundancy as well as capture content-related latent structures. However, they still produce speech token sequences significantly longer than their textual counterparts, creating challenges for efficient speech-language modeling. Reducing the frame rate is a natural solution, but standard techniques, such as rigid average pooling across frames, can distort or dilute the semantic structure required for effective LM alignment. To address this, we propose LM-SPT, a speech tokenization method that introduces a novel semantic distillation. Instead of directly matching teacher and student features via pooling, we reconstruct speech solely from semantic tokens and minimize the discrepancy between the encoded representations of the original and reconstructed waveforms, obtained from a frozen automatic speech recognition (ASR) encoder. This indirect yet data-driven supervision enables the tokenizer to learn discrete units that are more semantically aligned with language models. LM-SPT further incorporates architectural improvements to the encoder and decoder for speech tokenization, and supports multiple frame rates, including 25Hz, 12.5Hz, and 6.25Hz. Experimental results show that LM-SPT achieves superior reconstruction fidelity compared to baselines, and that SLMs trained with LM-SPT tokens achieve competitive performances on speech-to-text and consistently outperform baselines on text-to-speech tasks.
☆ The Role of Model Confidence on Bias Effects in Measured Uncertainties
With the growing adoption of Large Language Models (LLMs) for open-ended tasks, accurately assessing epistemic uncertainty, which reflects a model's lack of knowledge, has become crucial to ensuring reliable outcomes. However, quantifying epistemic uncertainty in such tasks is challenging due to the presence of aleatoric uncertainty, which arises from multiple valid answers. While bias can introduce noise into epistemic uncertainty estimation, it may also reduce noise from aleatoric uncertainty. To investigate this trade-off, we conduct experiments on Visual Question Answering (VQA) tasks and find that mitigating prompt-introduced bias improves uncertainty quantification in GPT-4o. Building on prior work showing that LLMs tend to copy input information when model confidence is low, we further analyze how these prompt biases affect measured epistemic and aleatoric uncertainty across varying bias-free confidence levels with GPT-4o and Qwen2-VL. We find that all considered biases induce greater changes in both uncertainties when bias-free model confidence is lower. Moreover, lower bias-free model confidence leads to greater underestimation of epistemic uncertainty (i.e. overconfidence) due to bias, whereas it has no significant effect on the direction of changes in aleatoric uncertainty estimation. These distinct effects deepen our understanding of bias mitigation for uncertainty quantification and potentially inform the development of more advanced techniques.
☆ ReasonGRM: Enhancing Generative Reward Models through Large Reasoning Models
Generative Reward Models (GRMs) provide greater flexibility than scalar reward models in capturing human preferences, but their effectiveness is limited by poor reasoning capabilities. This often results in incomplete or overly speculative reasoning paths, leading to hallucinations or missing key information in complex tasks. We address this challenge with ReasonGRM, a three-stage generative reward modeling framework. In the first stage, Zero-RL is used to generate concise, outcome-directed reasoning paths that reduce the likelihood of critical omissions. In the second stage, we introduce a novel evaluation metric, $R^\star$, which scores reasoning paths based on their generation likelihood. This favors paths that reach correct answers with minimal exploration, helping to reduce hallucination-prone data during training. In the final stage, the model is further refined through reinforcement learning on challenging examples to enhance its preference discrimination capabilities. Experiments on three public benchmarks show that ReasonGRM achieves competitive or state-of-the-art performance, outperforming previous best GRMs by 1.8\% on average and surpassing proprietary models such as GPT-4o by up to 5.6\%. These results demonstrate the effectiveness of reasoning-aware training and highlight the importance of high-quality rationale selection for reliable preference modeling.
Large Language Models as Psychological Simulators: A Methodological Guide
Large language models (LLMs) offer emerging opportunities for psychological and behavioral research, but methodological guidance is lacking. This article provides a framework for using LLMs as psychological simulators across two primary applications: simulating roles and personas to explore diverse contexts, and serving as computational models to investigate cognitive processes. For simulation, we present methods for developing psychologically grounded personas that move beyond demographic categories, with strategies for validation against human data and use cases ranging from studying inaccessible populations to prototyping research instruments. For cognitive modeling, we synthesize emerging approaches for probing internal representations, methodological advances in causal interventions, and strategies for relating model behavior to human cognition. We address overarching challenges including prompt sensitivity, temporal limitations from training data cutoffs, and ethical considerations that extend beyond traditional human subjects review. Throughout, we emphasize the need for transparency about model capabilities and constraints. Together, this framework integrates emerging empirical evidence about LLM performance--including systematic biases, cultural limitations, and prompt brittleness--to help researchers wrangle these challenges and leverage the unique capabilities of LLMs in psychological research.
☆ From Prompts to Constructs: A Dual-Validity Framework for LLM Research in Psychology
Large language models (LLMs) are rapidly being adopted across psychology, serving as research tools, experimental subjects, human simulators, and computational models of cognition. However, the application of human measurement tools to these systems can produce contradictory results, raising concerns that many findings are measurement phantoms--statistical artifacts rather than genuine psychological phenomena. In this Perspective, we argue that building a robust science of AI psychology requires integrating two of our field's foundational pillars: the principles of reliable measurement and the standards for sound causal inference. We present a dual-validity framework to guide this integration, which clarifies how the evidence needed to support a claim scales with its scientific ambition. Using an LLM to classify text may require only basic accuracy checks, whereas claiming it can simulate anxiety demands a far more rigorous validation process. Current practice systematically fails to meet these requirements, often treating statistical pattern matching as evidence of psychological phenomena. The same model output--endorsing "I am anxious"--requires different validation strategies depending on whether researchers claim to measure, characterize, simulate, or model psychological constructs. Moving forward requires developing computational analogues of psychological constructs and establishing clear, scalable standards of evidence rather than the uncritical application of human measurement tools.
☆ LegiGPT: Party Politics and Transport Policy with Large Language Model
Given the significant influence of lawmakers' political ideologies on legislative decision-making, understanding their impact on policymaking is critically important. We introduce a novel framework, LegiGPT, which integrates a large language model (LLM) with explainable artificial intelligence (XAI) to analyze transportation-related legislative proposals. LegiGPT employs a multi-stage filtering and classification pipeline using zero-shot prompting with GPT-4. Using legislative data from South Korea's 21st National Assembly, we identify key factors - including sponsor characteristics, political affiliations, and geographic variables - that significantly influence transportation policymaking. The LLM was used to classify transportation-related bill proposals through a stepwise filtering process based on keywords, phrases, and contextual relevance. XAI techniques were then applied to examine relationships between party affiliation and associated attributes. The results reveal that the number and proportion of conservative and progressive sponsors, along with district size and electoral population, are critical determinants shaping legislative outcomes. These findings suggest that both parties contributed to bipartisan legislation through different forms of engagement, such as initiating or supporting proposals. This integrated approach provides a valuable tool for understanding legislative dynamics and guiding future policy development, with broader implications for infrastructure planning and governance.
☆ Mechanisms vs. Outcomes: Probing for Syntax Fails to Explain Performance on Targeted Syntactic Evaluations
Large Language Models (LLMs) exhibit a robust mastery of syntax when processing and generating text. While this suggests internalized understanding of hierarchical syntax and dependency relations, the precise mechanism by which they represent syntactic structure is an open area within interpretability research. Probing provides one way to identify the mechanism of syntax being linearly encoded in activations, however, no comprehensive study has yet established whether a model's probing accuracy reliably predicts its downstream syntactic performance. Adopting a "mechanisms vs. outcomes" framework, we evaluate 32 open-weight transformer models and find that syntactic features extracted via probing fail to predict outcomes of targeted syntax evaluations across English linguistic phenomena. Our results highlight a substantial disconnect between latent syntactic representations found via probing and observable syntactic behaviors in downstream tasks.
♻ ☆ AQA-Bench: An Interactive Benchmark for Evaluating LLMs' Sequential Reasoning Ability
This paper introduces AQA-Bench, a novel benchmark to assess the sequential reasoning capabilities of large language models (LLMs) in algorithmic contexts, such as depth-first search (DFS). The key feature of our evaluation benchmark lies in its interactive evaluation protocol - for example, in DFS, the availability of each node's connected edge is contingent upon the model's traversal to that node, thereby necessitating the LLM's ability to effectively remember visited nodes and strategize subsequent moves considering the possible environmental feedback in the future steps. We comprehensively build AQA-Bench with three different algorithms, namely binary search, depth-first search, and breadth-first search, and to evaluate the sequential reasoning ability of 14 different LLMs. Our investigations reveal several interesting findings: (1) Closed-source models like GPT-4 and Gemini generally show much stronger sequential reasoning ability, significantly outperforming open-source LLMs. (2) Naively providing in-context examples may inadvertently hurt few-shot performance in an interactive environment due to over-fitting to examples. (3) Instead of using optimal steps from another test case as the in-context example, a very limited number of predecessor steps in the current test case following the optimal policy can substantially boost small models' performance. (4) The performance gap between weak models and strong models is greatly due to the incapability of weak models to start well. (5) The scaling correlation between performance and model size is not always significant, sometimes even showcasing an inverse trend. We hope our study can catalyze future work on advancing the understanding and enhancement of LLMs' capabilities in sequential reasoning. The code is available at https://github.com/UCSC-VLAA/AQA-Bench.
♻ ☆ High-Dimensional Interlingual Representations of Large Language Models
Large language models (LLMs) trained on massive multilingual datasets hint at the formation of interlingual constructs--a shared subspace in the representation space. However, evidence regarding this phenomenon is mixed, leaving it unclear whether these models truly develop unified interlingual representations, or present a partially aligned constructs. We explore 31 diverse languages varying on their resource-levels, typologies, and geographical regions; and find that multilingual LLMs exhibit inconsistent cross-lingual alignments. To address this, we propose an interlingual representation framework identifying both the shared interlingual semantic subspace and fragmented components, existed due to representational limitations. We introduce Interlingual Local Overlap (ILO) score to quantify interlingual alignment by comparing the local neighborhood structures of high-dimensional representations. We utilize ILO to investigate the impact of single-language fine-tuning on the interlingual representations in multilingual LLMs. Our results indicate that training exclusively on a single language disrupts the alignment in early layers, while freezing these layers preserves the alignment of interlingual representations, leading to improved cross-lingual generalization. These results validate our framework and metric for evaluating interlingual representation, and further underscore that interlingual alignment is crucial for scalable multilingual learning.
♻ ☆ TALE: A Tool-Augmented Framework for Reference-Free Evaluation of Large Language Models
As Large Language Models (LLMs) become increasingly integrated into real-world, autonomous applications, relying on static, pre-annotated references for evaluation poses significant challenges in cost, scalability, and completeness. We propose Tool-Augmented LLM Evaluation (TALE), a framework to assess LLM outputs without predetermined ground-truth answers. Unlike conventional metrics that compare to fixed references or depend solely on LLM-as-a-judge knowledge, TALE employs an agent with tool-access capabilities that actively retrieves and synthesizes external evidence. It iteratively generates web queries, collects information, summarizes findings, and refines subsequent searches through reflection. By shifting away from static references, TALE aligns with free-form question-answering tasks common in real-world scenarios. Experimental results on multiple free-form QA benchmarks show that TALE not only outperforms standard reference-based metrics for measuring response accuracy but also achieves substantial to near-perfect agreement with human evaluations. TALE enhances the reliability of LLM evaluations in real-world, dynamic scenarios without relying on static references.
♻ ☆ LaRS: Latent Reasoning Skills for Chain-of-Thought Reasoning
Chain-of-thought (CoT) prompting is a popular in-context learning (ICL) approach for large language models (LLMs), especially when tackling complex reasoning tasks. Traditional ICL approaches construct prompts using examples that contain questions similar to the input question. However, CoT prompting, which includes crucial intermediate reasoning steps (rationales) within its examples, necessitates selecting examples based on these rationales rather than the questions themselves. Existing methods require human experts or pre-trained LLMs to describe the skill, a high-level abstraction of rationales, to guide the selection. These methods, however, are often costly and difficult to scale. Instead, this paper introduces a new approach named Latent Reasoning Skills (LaRS) that employs unsupervised learning to create a latent space representation of rationales, with a latent variable called a reasoning skill. Concurrently, LaRS learns a reasoning policy to determine the required reasoning skill for a given question. Then the ICL examples are selected by aligning the reasoning skills between past examples and the question. This approach is theoretically grounded and compute-efficient, eliminating the need for auxiliary LLM inference or manual prompt design. Empirical results demonstrate that LaRS consistently outperforms SOTA skill-based selection methods, processing example banks four times faster, reducing LLM inferences during the selection stage by half, and showing greater robustness to sub-optimal example banks.
♻ ☆ Watch and Listen: Understanding Audio-Visual-Speech Moments with Multimodal LLM
Humans naturally understand moments in a video by integrating visual and auditory cues. For example, localizing a scene in the video like "A scientist passionately speaks on wildlife conservation as dramatic orchestral music plays, with the audience nodding and applauding" requires simultaneous processing of visual, audio, and speech signals. However, existing models often struggle to effectively fuse and interpret audio information, limiting their capacity for comprehensive video temporal understanding. To address this, we present TriSense, a triple-modality large language model designed for holistic video temporal understanding through the integration of visual, audio, and speech modalities. Central to TriSense is a Query-Based Connector that adaptively reweights modality contributions based on the input query, enabling robust performance under modality dropout and allowing flexible combinations of available inputs. To support TriSense's multimodal capabilities, we introduce TriSense-2M, a high-quality dataset of over 2 million curated samples generated via an automated pipeline powered by fine-tuned LLMs. TriSense-2M includes long-form videos and diverse modality combinations, facilitating broad generalization. Extensive experiments across multiple benchmarks demonstrate the effectiveness of TriSense and its potential to advance multimodal video analysis. Code and dataset will be publicly released.
♻ ☆ PlantBert: An Open Source Language Model for Plant Science
The rapid advancement of transformer-based language models has catalyzed breakthroughs in biomedical and clinical natural language processing; however, plant science remains markedly underserved by such domain-adapted tools. In this work, we present PlantBert, a high-performance, open-source language model specifically tailored for extracting structured knowledge from plant stress-response literature. Built upon the DeBERTa architecture-known for its disentangled attention and robust contextual encoding-PlantBert is fine-tuned on a meticulously curated corpus of expert-annotated abstracts, with a primary focus on lentil (Lens culinaris) responses to diverse abiotic and biotic stressors. Our methodology combines transformer-based modeling with rule-enhanced linguistic post-processing and ontology-grounded entity normalization, enabling PlantBert to capture biologically meaningful relationships with precision and semantic fidelity. The underlying corpus is annotated using a hierarchical schema aligned with the Crop Ontology, encompassing molecular, physiological, biochemical, and agronomic dimensions of plant adaptation. PlantBert exhibits strong generalization capabilities across entity types and demonstrates the feasibility of robust domain adaptation in low-resource scientific fields. By providing a scalable and reproducible framework for high-resolution entity recognition, PlantBert bridges a critical gap in agricultural NLP and paves the way for intelligent, data-driven systems in plant genomics, phenomics, and agronomic knowledge discovery. Our model is publicly released to promote transparency and accelerate cross-disciplinary innovation in computational plant science.
♻ ☆ Watermarking Language Models through Language Models
Watermarking the outputs of large language models (LLMs) is critical for provenance tracing, content regulation, and model accountability. Existing approaches often rely on access to model internals or are constrained by static rules and token-level perturbations. Moreover, the idea of steering generative behavior via prompt-based instruction control remains largely underexplored. We introduce a prompt-guided watermarking framework that operates entirely at the input level and requires no access to model parameters or decoding logits. The framework comprises three cooperating components: a Prompting LM that synthesizes watermarking instructions from user prompts, a Marking LM that generates watermarked outputs conditioned on these instructions, and a Detecting LM trained to classify whether a response carries an embedded watermark. This modular design enables dynamic watermarking that adapts to individual prompts while remaining compatible with diverse LLM architectures, including both proprietary and open-weight models. We evaluate the framework over 25 combinations of Prompting and Marking LMs, such as GPT-4o, Mistral, LLaMA3, and DeepSeek. Experimental results show that watermark signals generalize across architectures and remain robust under fine-tuning, model distillation, and prompt-based adversarial attacks, demonstrating the effectiveness and robustness of the proposed approach.
♻ ☆ Calibrating Pre-trained Language Classifiers on LLM-generated Noisy Labels via Iterative Refinement KDD'25
The traditional process of creating labeled datasets is labor-intensive and expensive. Recent breakthroughs in open-source large language models (LLMs) have opened up a new avenue in generating labeled datasets automatically for various natural language processing (NLP) tasks, providing an alternative to such an expensive annotation process. However, the reliability of such auto-generated labels remains a significant concern due to inherent inaccuracies. When learning from noisy labels, the model's generalization is likely to be harmed as it is prone to overfit to those label noises. While previous studies in learning from noisy labels mainly focus on synthetic noise and real-world noise, LLM-generated label noise receives less attention. In this paper, we propose SiDyP: Simplex Label Diffusion with Dynamic Prior to calibrate the classifier's prediction, thus enhancing its robustness towards LLM-generated noisy labels. SiDyP retrieves potential true label candidates by neighborhood label distribution in text embedding space and iteratively refines noisy candidates using a simplex diffusion model. Our framework can increase the performance of the BERT classifier fine-tuned on both zero-shot and few-shot LLM-generated noisy label datasets by an average of 7.21% and 7.30% respectively. We demonstrate the effectiveness of SiDyP by conducting extensive benchmarking for different LLMs over a variety of NLP tasks. Our code is available on Github.
comment: Accepted at KDD'25
♻ ☆ ScholarSearch: Benchmarking Scholar Searching Ability of LLMs
Large Language Models (LLMs)' search capabilities have garnered significant attention. Existing benchmarks, such as OpenAI's BrowseComp, primarily focus on general search scenarios and fail to adequately address the specific demands of academic search. These demands include deeper literature tracing and organization, professional support for academic databases, the ability to navigate long-tail academic knowledge, and ensuring academic rigor. Here, we proposed ScholarSearch, the first dataset specifically designed to evaluate the complex information retrieval capabilities of Large Language Models (LLMs) in academic research. ScholarSearch possesses the following key characteristics: Academic Practicality, where question content closely mirrors real academic learning and research environments, avoiding deliberately misleading models; High Difficulty, with answers that are challenging for single models (e.g., Grok DeepSearch or Gemini Deep Research) to provide directly, often requiring at least three deep searches to derive; Concise Evaluation, where limiting conditions ensure answers are as unique as possible, accompanied by clear sources and brief solution explanations, greatly facilitating subsequent audit and verification, surpassing the current lack of analyzed search datasets both domestically and internationally; and Broad Coverage, as the dataset spans at least 15 different academic disciplines. Through ScholarSearch, we expect to more precisely measure and promote the performance improvement of LLMs in complex academic information retrieval tasks. The data is available at: https://huggingface.co/datasets/PKU-DS-LAB/ScholarSearch
♻ ☆ Contextual modulation of language comprehension in a dynamic neural model of lexical meaning
We propose and computationally implement a dynamic neural model of lexical meaning, and experimentally test its behavioral predictions. We demonstrate the architecture and behavior of the model using as a test case the English lexical item 'have', focusing on its polysemous use. In the model, 'have' maps to a semantic space defined by two continuous conceptual dimensions, connectedness and control asymmetry, previously proposed to parameterize the conceptual system for language. The mapping is modeled as coupling between a neural node representing the lexical item and neural fields representing the conceptual dimensions. While lexical knowledge is modeled as a stable coupling pattern, real-time lexical meaning retrieval is modeled as the motion of neural activation patterns between metastable states corresponding to semantic interpretations or readings. Model simulations capture two previously reported empirical observations: (1) contextual modulation of lexical semantic interpretation, and (2) individual variation in the magnitude of this modulation. Simulations also generate a novel prediction that the by-trial relationship between sentence reading time and acceptability should be contextually modulated. An experiment combining self-paced reading and acceptability judgments replicates previous results and confirms the new model prediction. Altogether, results support a novel perspective on lexical polysemy: that the many related meanings of a word are metastable neural activation states that arise from the nonlinear dynamics of neural populations governing interpretation on continuous semantic dimensions.
♻ ☆ Geopolitical biases in LLMs: what are the "good" and the "bad" countries according to contemporary language models
This paper evaluates geopolitical biases in LLMs with respect to various countries though an analysis of their interpretation of historical events with conflicting national perspectives (USA, UK, USSR, and China). We introduce a novel dataset with neutral event descriptions and contrasting viewpoints from different countries. Our findings show significant geopolitical biases, with models favoring specific national narratives. Additionally, simple debiasing prompts had a limited effect in reducing these biases. Experiments with manipulated participant labels reveal models' sensitivity to attribution, sometimes amplifying biases or recognizing inconsistencies, especially with swapped labels. This work highlights national narrative biases in LLMs, challenges the effectiveness of simple debiasing methods, and offers a framework and dataset for future geopolitical bias research.
♻ ☆ COS-DPO: Conditioned One-Shot Multi-Objective Fine-Tuning Framework
In LLM alignment and many other ML applications, one often faces the Multi-Objective Fine-Tuning (MOFT) problem, i.e., fine-tuning an existing model with datasets labeled w.r.t. different objectives simultaneously. To address the challenge, we propose a Conditioned One-Shot fine-tuning framework (COS-DPO) that extends the Direct Preference Optimization technique, originally developed for efficient LLM alignment with preference data, to accommodate the MOFT settings. By direct conditioning on the weight across auxiliary objectives, our Weight-COS-DPO method enjoys an efficient one-shot training process for profiling the Pareto front and is capable of achieving comprehensive trade-off solutions even in the post-training stage. Based on our theoretical findings on the linear transformation properties of the loss function, we further propose the Temperature-COS-DPO method that augments the temperature parameter to the model input, enhancing the flexibility of post-training control over the trade-offs between the main and auxiliary objectives. We demonstrate the effectiveness and efficiency of the COS-DPO framework through its applications to various tasks, including the Learning-to-Rank (LTR) and LLM alignment tasks, highlighting its viability for large-scale ML deployments.
comment: Published at UAI 2025
♻ ☆ Principles of semantic and functional efficiency in grammatical patterning
Grammatical features such as number and gender serve two central functions in human languages. While they encode salient semantic attributes like numerosity and animacy, they also offload sentence processing cost by predictably linking words together via grammatical agreement. Grammars exhibit consistent organizational patterns across diverse languages, invariably rooted in a semantic foundation-a widely confirmed but still theoretically unexplained phenomenon. To explain the basis of universal grammatical patterns, we unify two fundamental properties of grammar, semantic encoding and agreement-based predictability, into a single information-theoretic objective under cognitive constraints, accounting for variable communicative need. Our analyses reveal that grammatical organization provably inherits from perceptual attributes, and our measurements on a diverse language sample show that grammars prioritize functional goals, promoting efficient language processing over semantic encoding.
♻ ☆ Incivility and Rigidity: The Risks of Fine-Tuning LLMs for Political Argumentation
The incivility prevalent on platforms like Twitter (now X) and Reddit poses a challenge for developing AI systems that can support productive and rhetorically sound political argumentation. In this study, we report experiments with GPT-3.5 Turbo, fine-tuned on two contrasting datasets of political discussions: high-variance, high-incivility Twitter replies to U.S. Congress, and low-variance, low-incivility posts from Reddit's r/ChangeMyView. We systematically evaluate how these data sources and prompting strategies shape the rhetorical framing and deliberative quality of model-generated arguments. Our results show that Reddit-finetuned models produce safer but rhetorically rigid arguments, while cross-platform fine-tuning amplifies toxicity. Prompting reduces specific toxic behaviors, such as personal attacks, but fails to fully mitigate the influence of high-incivility training data. We introduce and validate a rhetorical evaluation rubric and provide practical guidelines for deploying LLMs in content authoring, moderation, and deliberation support.
♻ ☆ ReplaceMe: Network Simplification via Depth Pruning and Transformer Block Linearization
We introduce ReplaceMe, a generalized training-free depth pruning method that effectively replaces transformer blocks with a linear operation, while maintaining high performance for low compression ratios. In contrast to conventional pruning approaches that require additional training or fine-tuning, our approach requires only a small calibration dataset that is used to estimate a linear transformation, which approximates the pruned blocks. The estimated linear mapping can be seamlessly merged with the remaining transformer blocks, eliminating the need for any additional network parameters. Our experiments show that ReplaceMe consistently outperforms other training-free approaches and remains highly competitive with state-of-the-art pruning methods that involve extensive retraining/fine-tuning and architectural modifications. Applied to several large language models (LLMs), ReplaceMe achieves up to 25% pruning while retaining approximately 90% of the original model's performance on open benchmarks - without any training or healing steps, resulting in minimal computational overhead (see Fig.1). We provide an open-source library implementing ReplaceMe alongside several state-of-the-art depth pruning techniques, available at https://github.com/mts-ai/ReplaceMe.
♻ ☆ Can Large Language Models Replace Human Subjects? A Large-Scale Replication of Scenario-Based Experiments in Psychology and Management
Artificial Intelligence (AI) is increasingly being integrated into scientific research, particularly in the social sciences, where understanding human behavior is critical. Large Language Models (LLMs) have shown promise in replicating human-like responses in various psychological experiments. We conducted a large-scale study replicating 156 psychological experiments from top social science journals using three state-of-the-art LLMs (GPT-4, Claude 3.5 Sonnet, and DeepSeek v3). Our results reveal that while LLMs demonstrate high replication rates for main effects (73-81%) and moderate to strong success with interaction effects (46-63%), They consistently produce larger effect sizes than human studies, with Fisher Z values approximately 2-3 times higher than human studies. Notably, LLMs show significantly lower replication rates for studies involving socially sensitive topics such as race, gender and ethics. When original studies reported null findings, LLMs produced significant results at remarkably high rates (68-83%) - while this could reflect cleaner data with less noise, as evidenced by narrower confidence intervals, it also suggests potential risks of effect size overestimation. Our results demonstrate both the promise and challenges of LLMs in psychological research, offering efficient tools for pilot testing and rapid hypothesis validation while enriching rather than replacing traditional human subject studies, yet requiring more nuanced interpretation and human validation for complex social phenomena and culturally sensitive research questions.
comment: 5 figures, 2 tables
♻ ☆ Think&Cite: Improving Attributed Text Generation with Self-Guided Tree Search and Progress Reward Modeling ACL 2025
Despite their outstanding capabilities, large language models (LLMs) are prone to hallucination and producing factually incorrect information. This challenge has spurred efforts in attributed text generation, which prompts LLMs to generate content with supporting evidence. In this paper, we propose a novel framework, called Think&Cite, and formulate attributed text generation as a multi-step reasoning problem integrated with search. Specifically, we propose Self-Guided Monte Carlo Tree Search (SG-MCTS), which capitalizes on the self-reflection capability of LLMs to reason about the intermediate states of MCTS for guiding the tree expansion process. To provide reliable and comprehensive feedback, we introduce Progress Reward Modeling to measure the progress of tree search from the root to the current state from two aspects, i.e., generation and attribution progress. We conduct extensive experiments on three datasets and the results show that our approach significantly outperforms baseline approaches.
comment: ACL 2025
♻ ☆ SHAKTI: A 2.5 Billion Parameter Small Language Model Optimized for Edge AI and Low-Resource Environments
We introduce Shakti, a 2.5 billion parameter language model specifically optimized for resource-constrained environments such as edge devices, including smartphones, wearables, and IoT systems. Shakti combines high-performance NLP with optimized efficiency and precision, making it ideal for real-time AI applications where computational resources and memory are limited. With support for vernacular languages and domain-specific tasks, Shakti excels in industries such as healthcare, finance, and customer service. Benchmark evaluations demonstrate that Shakti performs competitively against larger models while maintaining low latency and on-device efficiency, positioning it as a leading solution for edge AI.
comment: Paper in pdf format is 11 pages and contains 4 tables
♻ ☆ Knapsack Optimization-based Schema Linking for LLM-based Text-to-SQL Generation
Generating SQLs from user queries is a long-standing challenge, where the accuracy of initial schema linking significantly impacts subsequent SQL generation performance. However, current schema linking models still struggle with missing relevant schema elements or an excess of redundant ones. A crucial reason for this is that commonly used metrics, recall and precision, fail to capture relevant element missing and thus cannot reflect actual schema linking performance. Motivated by this, we propose enhanced schema linking metrics by introducing a restricted missing indicator. Accordingly, we introduce Knapsack optimization-based Schema Linking Approach (KaSLA), a plug-in schema linking method designed to prevent the missing of relevant schema elements while minimizing the inclusion of redundant ones. KaSLA employs a hierarchical linking strategy that first identifies the optimal table linking and subsequently links columns within the selected table to reduce linking candidate space. In each linking process, it utilizes a knapsack optimization approach to link potentially relevant elements while accounting for a limited tolerance of potentially redundant ones. With this optimization, KaSLA-1.6B achieves superior schema linking results compared to large-scale LLMs, including deepseek-v3 with the state-of-the-art (SOTA) schema linking method. Extensive experiments on Spider and BIRD benchmarks verify that KaSLA can significantly improve the SQL generation performance of SOTA Text2SQL models by substituting their schema linking processes.
♻ ☆ Capturing Polysemanticity with PRISM: A Multi-Concept Feature Description Framework
Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Current feature description methods face two critical challenges: limited robustness and the flawed assumption that each neuron encodes only a single concept (monosemanticity), despite growing evidence that neurons are often polysemantic. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework that captures the inherent complexity of neural network features. Unlike prior approaches that assign a single description per feature, PRISM provides more nuanced descriptions for both polysemantic and monosemantic features. We apply PRISM to language models and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).
♻ ☆ PromptDSI: Prompt-based Rehearsal-free Instance-wise Incremental Learning for Document Retrieval KDD 2025
Differentiable Search Index (DSI) utilizes pre-trained language models to perform indexing and document retrieval via end-to-end learning without relying on external indexes. However, DSI requires full re-training to index new documents, causing significant computational inefficiencies. Continual learning (CL) offers a solution by enabling the model to incrementally update without full re-training. Existing CL solutions in document retrieval rely on memory buffers or generative models for rehearsal, which is infeasible when accessing previous training data is restricted due to privacy concerns. To this end, we introduce PromptDSI, a prompt-based, rehearsal-free continual learning approach for document retrieval. PromptDSI follows the Prompt-based Continual Learning (PCL) framework, using learnable prompts to efficiently index new documents without accessing previous documents or queries. To improve retrieval latency, we remove the initial forward pass of PCL, which otherwise greatly increases training and inference time, with a negligible trade-off in performance. Additionally, we introduce a novel topic-aware prompt pool that employs neural topic embeddings as fixed keys, eliminating the instability of prompt key optimization while maintaining competitive performance with existing PCL prompt pools. In a challenging rehearsal-free continual learning setup, we demonstrate that PromptDSI variants outperform rehearsal-based baselines, match the strong cache-based baseline in mitigating forgetting, and significantly improving retrieval performance on new corpora.
comment: ECML PKDD 2025 Research track. Camera-ready version. Code is available at https://github.com/LouisDo2108/PromptDSI
♻ ☆ Coreference as an indicator of context scope in multimodal narrative ACL 2025
We demonstrate that large multimodal language models differ substantially from humans in the distribution of coreferential expressions in a visual storytelling task. We introduce a number of metrics to quantify the characteristics of coreferential patterns in both human- and machine-written texts. Humans distribute coreferential expressions in a way that maintains consistency across texts and images, interleaving references to different entities in a highly varied way. Machines are less able to track mixed references, despite achieving perceived improvements in generation quality. Materials, metrics, and code for our study are available at https://github.com/GU-CLASP/coreference-context-scope.
comment: 19 pages, 4 tables. Accepted to GEM2 Workshop: Generation, Evaluation & Metrics at ACL 2025
♻ ☆ LogProber: Disentangling confidence from contamination in LLM responses
In machine learning, contamination refers to situations where testing data leak into the training set. The issue is particularly relevant for the evaluation of the performance of Large Language Models (LLMs), which are generally trained on gargantuan, and generally opaque, corpora of text scraped from the world wide web. Developing tools to detect contamination is therefore crucial to be able to fairly and properly track the evolution of the performance of LLMs. To date, only a few recent studies have attempted to address the issue of quantifying and detecting contamination in short text sequences, such as those commonly found in benchmarks. However, these methods have limitations that can sometimes render them impractical. In the present paper, we introduce LogProber, a novel, efficient algorithm that we show to be able to detect contamination in a black box setting that tries to tackle some of these drawbacks by focusing on the familiarity with the question rather than the answer. Here, we explore the properties of the proposed method in comparison with concurrent approaches, identify its advantages and limitations, and illustrate how different forms of contamination can go undetected depending on the design of the detection algorithm.
♻ ☆ On Almost Surely Safe Alignment of Large Language Models at Inference-Time
We introduce a novel inference-time alignment approach for LLMs that aims to generate safe responses almost surely, i.e., with probability approaching one. Our approach models the generation of safe responses as a constrained Markov Decision Process (MDP) within the LLM's latent space. We augment a safety state that tracks the evolution of safety constraints and dynamically penalize unsafe generations to ensure the generation of safe responses. Consequently, we demonstrate formal safety guarantees w.r.t. the given cost model upon solving the MDP in the latent space with sufficiently large penalties. Building on this foundation, we propose InferenceGuard, a practical implementation that safely aligns LLMs without modifying the model weights. Empirically, we demonstrate that InferenceGuard effectively balances safety and task performance, outperforming existing inference-time alignment methods in generating safe and aligned responses. Our findings contribute to the advancement of safer LLM deployment through alignment at inference-time, thus presenting a promising alternative to resource-intensive, overfitting-prone alignment techniques like RLHF.
♻ ☆ Dynamic Knowledge Integration for Evidence-Driven Counter-Argument Generation with Large Language Models ACL 2025
This paper investigates the role of dynamic external knowledge integration in improving counter-argument generation using Large Language Models (LLMs). While LLMs have shown promise in argumentative tasks, their tendency to generate lengthy, potentially unfactual responses highlights the need for more controlled and evidence-based approaches. We introduce a new manually curated dataset of argument and counter-argument pairs specifically designed to balance argumentative complexity with evaluative feasibility. We also propose a new LLM-as-a-Judge evaluation methodology that shows a stronger correlation with human judgments compared to traditional reference-based metrics. Our experimental results demonstrate that integrating dynamic external knowledge from the web significantly improves the quality of generated counter-arguments, particularly in terms of relatedness, persuasiveness, and factuality. The findings suggest that combining LLMs with real-time external knowledge retrieval offers a promising direction for developing more effective and reliable counter-argumentation systems.
comment: ACL 2025
♻ ☆ Deep Learning based Visually Rich Document Content Understanding: A Survey
Visually Rich Documents (VRDs) play a vital role in domains such as academia, finance, healthcare, and marketing, as they convey information through a combination of text, layout, and visual elements. Traditional approaches to extracting information from VRDs rely heavily on expert knowledge and manual annotation, making them labor-intensive and inefficient. Recent advances in deep learning have transformed this landscape by enabling multimodal models that integrate vision, language, and layout features through pretraining, significantly improving information extraction performance. This survey presents a comprehensive overview of deep learning-based frameworks for VRD Content Understanding (VRD-CU). We categorize existing methods based on their modeling strategies and downstream tasks, and provide a comparative analysis of key components, including feature representation, fusion techniques, model architectures, and pretraining objectives. Additionally, we highlight the strengths and limitations of each approach and discuss their suitability for different applications. The paper concludes with a discussion of current challenges and emerging trends, offering guidance for future research and practical deployment in real-world scenarios.
comment: Work in Progress
♻ ☆ Adapting While Learning: Grounding LLMs for Scientific Problems with Intelligent Tool Usage Adaptation
Large Language Models (LLMs) demonstrate promising capabilities in solving scientific problems but often suffer from the issue of hallucination. While integrating LLMs with tools can mitigate this issue, models fine-tuned on tool usage become overreliant on them and incur unnecessary costs. Inspired by how human experts assess problem complexity before selecting solutions, we propose a novel two-component fine-tuning method, Adapting While Learning (AWL). In the first component, World Knowledge Learning (WKL), LLMs internalize scientific knowledge by learning from tool-generated solutions. In the second component, Tool Usage Adaptation (TUA), we categorize problems as easy or hard based on the model's accuracy, and train it to maintain direct reasoning for easy problems while switching to tools for hard ones. We validate our method on six scientific benchmark datasets across climate science, epidemiology, physics, and other domains. Compared to the original instruct model (8B), models post-trained with AWL achieve 29.11% higher answer accuracy and 12.72% better tool usage accuracy, even surpassing state-of-the-art models including GPT-4o and Claude-3.5 on four custom-created datasets. Our code is open-source at https://github.com/Rose-STL-Lab/Adapting-While-Learning.
comment: 37 pages, 16 figures
More Thinking, Less Seeing? Assessing Amplified Hallucination in Multimodal Reasoning Models
Test-time compute has empowered multimodal large language models to generate extended reasoning chains, yielding strong performance on tasks such as multimodal math reasoning. However, this improved reasoning ability often comes with increased hallucination: as generations become longer, models tend to drift away from image-grounded content and rely more heavily on language priors. Attention analysis shows that longer reasoning chains lead to reduced focus on visual inputs, which contributes to hallucination. To systematically study this phenomenon, we introduce RH-AUC, a metric that quantifies how a model's perception accuracy changes with reasoning length, allowing us to evaluate whether the model preserves visual grounding during reasoning. We also release RH-Bench, a diagnostic benchmark that spans a variety of multimodal tasks, designed to assess the trade-off between reasoning ability and hallucination. Our analysis reveals that (i) larger models typically achieve a better balance between reasoning and perception, and (ii) this balance is influenced more by the types and domains of training data than by its overall volume. These findings underscore the importance of evaluation frameworks that jointly consider both reasoning quality and perceptual fidelity.
♻ ☆ Cost-effective Instruction Learning for Pathology Vision and Language Analysis
The advent of vision-language models fosters the interactive conversations between AI-enabled models and humans. Yet applying these models into clinics must deal with daunting challenges around large-scale training data, financial, and computational resources. Here we propose a cost-effective instruction learning framework for conversational pathology named as CLOVER. CLOVER only trains a lightweight module and uses instruction tuning while freezing the parameters of the large language model. Instead of using costly GPT-4, we propose well-designed prompts on GPT-3.5 for building generation-based instructions, emphasizing the utility of pathological knowledge derived from the Internet source. To augment the use of instructions, we construct a high-quality set of template-based instructions in the context of digital pathology. From two benchmark datasets, our findings reveal the strength of hybrid-form instructions in the visual question-answer in pathology. Extensive results show the cost-effectiveness of CLOVER in answering both open-ended and closed-ended questions, where CLOVER outperforms strong baselines that possess 37 times more training parameters and use instruction data generated from GPT-4. Through the instruction tuning, CLOVER exhibits robustness of few-shot learning in the external clinical dataset. These findings demonstrate that cost-effective modeling of CLOVER could accelerate the adoption of rapid conversational applications in the landscape of digital pathology.
♻ ☆ Ask, Fail, Repeat: Meeseeks, an Iterative Feedback Benchmark for LLMs' Multi-turn Instruction-Following Ability
The ability to follow instructions accurately is fundamental for Large Language Models (LLMs) to serve as reliable agents in real-world applications. For complex instructions, LLMs often struggle to fulfill all requirements in a single attempt. In practice, users typically provide iterative feedback until the LLM generates a response that meets all requirements. However, existing instruction-following benchmarks are either single-turn or introduce new requirements in each turn without allowing self-correction. To address this gap, we propose Meeseeks. Meeseeks simulates realistic human-LLM interactions through an iterative feedback framework, which enables models to self-correct based on specific requirement failures in each turn, better reflecting real-world user-end usage patterns. Meanwhile, the benchmark implements a comprehensive evaluation system with 38 capability tags organized across three dimensions: Intent Recognition, Granular Content Validation, and Output Structure Validation. Through rigorous evaluation across LLMs, Meeseeks provides valuable insights into LLMs' instruction-following capabilities in multi-turn scenarios.
♻ ☆ Reimagining Urban Science: Scaling Causal Inference with Large Language Models
Urban causal research is essential for understanding the complex, dynamic processes that shape cities and for informing evidence-based policies. However, current practices are often constrained by inefficient and biased hypothesis formulation, challenges in integrating multimodal data, and fragile experimental methodologies. Imagine a system that automatically estimates the causal impact of congestion pricing on commute times by income group or measures how new green spaces affect asthma rates across neighborhoods using satellite imagery and health reports, and then generates comprehensive, policy-ready outputs, including causal estimates, subgroup analyses, and actionable recommendations. In this Perspective, we propose UrbanCIA, an LLM-driven conceptual framework composed of four distinct modular agents responsible for hypothesis generation, data engineering, experiment design and execution, and results interpretation with policy insights. We begin by examining the current landscape of urban causal research through a structured taxonomy of research topics, data sources, and methodological approaches, revealing systemic limitations across the workflow. Next, we introduce the design principles and technological roadmap for the four modules in the proposed framework. We also propose evaluation criteria to assess the rigor and transparency of these AI-augmented processes. Finally, we reflect on the broader implications for human-AI collaboration, equity, and accountability. We call for a new research agenda that embraces LLM-driven tools as catalysts for more scalable, reproducible, and inclusive urban research.
♻ ☆ Alto: Orchestrating Distributed Compound AI Systems with Nested Ancestry
Compound AI applications chain together subcomponents such as generative language models, document retrievers, and embedding models. Applying traditional systems optimizations such as parallelism and pipelining in compound AI systems is difficult because each component has different constraints in terms of the granularity and type of data that it ingests. New data is often generated during intermediate computations, and text streams may be split into smaller, independent fragments (such as documents to sentences) which may then be re-aggregated at later parts of the computation. Due to this complexity, existing systems to serve compound AI queries do not fully take advantage of parallelism and pipelining opportunities. We present Alto, a framework that automatically optimizes execution of compound AI queries through streaming and parallelism. Bento introduces a new abstraction called nested ancestry, a metadata hierarchy that allows the system to correctly track partial outputs and aggregate data across the heterogeneous constraints of the components of compound AI applications. This metadata is automatically inferred from the programming model, allowing developers to express complex dataflow patterns without needing to reason manually about the details of routing and aggregation. Implementations of four applications in Alto outperform or match implementations in LangGraph, a popular existing AI programming framework. Alto implementations match or improve latency by between 10-30%.
♻ ☆ SSR-Zero: Simple Self-Rewarding Reinforcement Learning for Machine Translation
Large language models (LLMs) have recently demonstrated remarkable capabilities in machine translation (MT). However, most advanced MT-specific LLMs heavily rely on external supervision signals during training, such as human-annotated reference data or trained reward models (RMs), which are often expensive to obtain and challenging to scale. To overcome this limitation, we propose a Simple Self-Rewarding (SSR) Reinforcement Learning (RL) framework for MT that is reference-free, fully online, and relies solely on self-judging rewards. Training with SSR using 13K monolingual examples and Qwen-2.5-7B as the backbone, our model SSR-Zero-7B outperforms existing MT-specific LLMs, e.g., TowerInstruct-13B and GemmaX-28-9B, as well as larger general LLMs like Qwen2.5-32B-Instruct in English $\leftrightarrow$ Chinese translation tasks from WMT23, WMT24, and Flores200 benchmarks. Furthermore, by augmenting SSR with external supervision from COMET, our strongest model, SSR-X-Zero-7B, achieves state-of-the-art performance in English $\leftrightarrow$ Chinese translation, surpassing all existing open-source models under 72B parameters and even outperforming closed-source models, e.g., GPT-4o and Gemini 1.5 Pro. Our analysis highlights the effectiveness of the self-rewarding mechanism compared to the external LLM-as-a-judge approach in MT and demonstrates its complementary benefits when combined with trained RMs. Our findings provide valuable insight into the potential of self-improving RL methods. We have publicly released our code, data and models.
♻ ☆ A Structured Dataset of Disease-Symptom Associations to Improve Diagnostic Accuracy
Disease-symptom datasets are significant and in demand for medical research, disease diagnosis, clinical decision-making, and AI-driven health management applications. These datasets help identify symptom patterns associated with specific diseases, thus improving diagnostic accuracy and enabling early detection. The dataset presented in this study systematically compiles disease-symptom relationships from various online sources, medical literature, and publicly available health databases. The data was gathered through analyzing peer-reviewed medical articles, clinical case studies, and disease-symptom association reports. Only the verified medical sources were included in the dataset, while those from non-peer-reviewed and anecdotal sources were excluded. The dataset is structured in a tabular format, where the first column represents diseases, and the remaining columns represent symptoms. Each symptom cell contains a binary value (1 or 0), indicating whether a symptom is associated with a disease (1 for presence, 0 for absence). Thereby, this structured representation makes the dataset very useful for a wide range of applications, including machine learning-based disease prediction, clinical decision support systems, and epidemiological studies. Although there are some advancements in the field of disease-symptom datasets, there is a significant gap in structured datasets for the Bangla language. This dataset aims to bridge that gap by facilitating the development of multilingual medical informatics tools and improving disease prediction models for underrepresented linguistic communities. Further developments should include region-specific diseases and further fine-tuning of symptom associations for better diagnostic performance
comment: Preprint
♻ ☆ Group-Level Data Selection for Efficient Pretraining
In this paper, we introduce Group-MATES, an efficient group-level data selection approach to optimize the speed-quality frontier of language model pretraining. Specifically, Group-MATES parameterizes costly group-level selection with a relational data influence model. To train this model, we sample training trajectories of the language model and collect oracle data influences alongside. The relational data influence model approximates the oracle data influence by weighting individual influence with relationships among training data. To enable efficient selection with our relational data influence model, we partition the dataset into small clusters using relationship weights and select data within each cluster independently. Experiments on DCLM 400M-4x, 1B-1x, and 3B-1x show that Group-MATES achieves 3.5%-9.4% relative performance gains over random selection across 22 downstream tasks, nearly doubling the improvements achieved by state-of-the-art individual data selection baselines. Furthermore, Group-MATES reduces the number of tokens required to reach a certain downstream performance by up to 1.75x, substantially elevating the speed-quality frontier. Further analyses highlight the critical role of relationship weights in the relational data influence model and the effectiveness of our cluster-based inference. Our code is open-sourced at https://github.com/facebookresearch/Group-MATES.
♻ ☆ Techniques for supercharging academic writing with generative AI
Academic writing is an indispensable yet laborious part of the research enterprise. This Perspective maps out principles and methods for using generative artificial intelligence (AI), specifically large language models (LLMs), to elevate the quality and efficiency of academic writing. We introduce a human-AI collaborative framework that delineates the rationale (why), process (how), and nature (what) of AI engagement in writing. The framework pinpoints both short-term and long-term reasons for engagement and their underlying mechanisms (e.g., cognitive offloading and imaginative stimulation). It reveals the role of AI throughout the writing process, conceptualized through a two-stage model for human-AI collaborative writing, and the nature of AI assistance in writing, represented through a model of writing-assistance types and levels. Building on this framework, we describe effective prompting techniques for incorporating AI into the writing routine (outlining, drafting, and editing) as well as strategies for maintaining rigorous scholarship, adhering to varied journal policies, and avoiding overreliance on AI. Ultimately, the prudent integration of AI into academic writing can ease the communication burden, empower authors, accelerate discovery, and promote diversity in science.
comment: Published in: Nature Biomedical Engineering, 2025
♻ ☆ MaPPER: Multimodal Prior-guided Parameter Efficient Tuning for Referring Expression Comprehension EMNLP 2024
Referring Expression Comprehension (REC), which aims to ground a local visual region via natural language, is a task that heavily relies on multimodal alignment. Most existing methods utilize powerful pre-trained models to transfer visual/linguistic knowledge by full fine-tuning. However, full fine-tuning the entire backbone not only breaks the rich prior knowledge embedded in the pre-training, but also incurs significant computational costs. Motivated by the recent emergence of Parameter-Efficient Transfer Learning (PETL) methods, we aim to solve the REC task in an effective and efficient manner. Directly applying these PETL methods to the REC task is inappropriate, as they lack the specific-domain abilities for precise local visual perception and visual-language alignment. Therefore, we propose a novel framework of Multimodal Prior-guided Parameter Efficient Tuning, namely MaPPER. Specifically, MaPPER comprises Dynamic Prior Adapters guided by an aligned prior, and Local Convolution Adapters to extract precise local semantics for better visual perception. Moreover, the Prior-Guided Text module is proposed to further utilize the prior for facilitating the cross-modal alignment. Experimental results on three widely-used benchmarks demonstrate that MaPPER achieves the best accuracy compared to the full fine-tuning and other PETL methods with only 1.41% tunable backbone parameters. Our code is available at https://github.com/liuting20/MaPPER.
comment: EMNLP 2024 main
♻ ☆ GraphRAG-Bench: Challenging Domain-Specific Reasoning for Evaluating Graph Retrieval-Augmented Generation
Graph Retrieval Augmented Generation (GraphRAG) has garnered increasing recognition for its potential to enhance large language models (LLMs) by structurally organizing domain-specific corpora and facilitating complex reasoning. However, current evaluations of GraphRAG models predominantly rely on traditional question-answering datasets. Their limited scope in questions and evaluation metrics fails to comprehensively assess the reasoning capacity improvements enabled by GraphRAG models. To address this gap, we introduce GraphRAG-Bench, a large-scale, domain-specific benchmark designed to rigorously evaluate GraphRAG models. Our benchmark offers three key superiorities: \((i)\) Challenging question design. Featuring college-level, domain-specific questions that demand multi-hop reasoning, the benchmark ensures that simple content retrieval is insufficient for problem-solving. For example, some questions require mathematical reasoning or programming. \((ii)\) Diverse task coverage. The dataset includes a broad spectrum of reasoning tasks, multiple-choice, true/false, multi-select, open-ended, and fill-in-the-blank. It spans 16 disciplines in twenty core textbooks. \((iii)\) Holistic evaluation framework. GraphRAG-Bench provides comprehensive assessment across the entire GraphRAG pipeline, including graph construction, knowledge retrieval, and answer generation. Beyond final-answer correctness, it evaluates the logical coherence of the reasoning process. By applying nine contemporary GraphRAG methods to GraphRAG-Bench, we demonstrate its utility in quantifying how graph-based structuring improves model reasoning capabilities. Our analysis reveals critical insights about graph architectures, retrieval efficacy, and reasoning capabilities, offering actionable guidance for the research community.
♻ ☆ LLMs in Disease Diagnosis: A Comparative Study of DeepSeek-R1 and O3 Mini Across Chronic Health Conditions
Large Language Models (LLMs) are revolutionizing medical diagnostics by enhancing both disease classification and clinical decision-making. In this study, we evaluate the performance of two LLM- based diagnostic tools, DeepSeek R1 and O3 Mini, using a structured dataset of symptoms and diagnoses. We assessed their predictive accuracy at both the disease and category levels, as well as the reliability of their confidence scores. DeepSeek R1 achieved a disease-level accuracy of 76% and an overall accuracy of 82%, outperforming O3 Mini, which attained 72% and 75% respectively. Notably, DeepSeek R1 demonstrated exceptional performance in Mental Health, Neurological Disorders, and Oncology, where it reached 100% accuracy, while O3 Mini excelled in Autoimmune Disease classification with 100% accuracy. Both models, however, struggled with Respiratory Disease classification, recording accuracies of only 40% for DeepSeek R1 and 20% for O3 Mini. Additionally, the analysis of confidence scores revealed that DeepSeek R1 provided high-confidence predictions in 92% of cases, compared to 68% for O3 Mini. Ethical considerations regarding bias, model interpretability, and data privacy are also discussed to ensure the responsible integration of LLMs into clinical practice. Overall, our findings offer valuable insights into the strengths and limitations of LLM-based diagnostic systems and provide a roadmap for future enhancements in AI-driven healthcare.
comment: 12 pages, 3 figures
♻ ☆ Theoretical Guarantees for Minimum Bayes Risk Decoding
Minimum Bayes Risk (MBR) decoding optimizes output selection by maximizing the expected utility value of an underlying human distribution. While prior work has shown the effectiveness of MBR decoding through empirical evaluation, few studies have analytically investigated why the method is effective. As a result of our analysis, we show that, given the size $n$ of the reference hypothesis set used in computation, MBR decoding approaches the optimal solution with high probability at a rate of $O\left(n^{-\frac{1}{2}}\right)$, under certain assumptions, even though the language space $Y$ is significantly larger $|Y|\gg n$. This result helps to theoretically explain the strong performance observed in several prior empirical studies on MBR decoding. In addition, we provide the performance gap for maximum-a-posteriori (MAP) decoding and compare it to MBR decoding. The result of this paper indicates that MBR decoding tends to converge to the optimal solution faster than MAP decoding in several cases.
♻ ☆ Embodied Web Agents: Bridging Physical-Digital Realms for Integrated Agent Intelligence
AI agents today are mostly siloed - they either retrieve and reason over vast amount of digital information and knowledge obtained online; or interact with the physical world through embodied perception, planning and action - but rarely both. This separation limits their ability to solve tasks that require integrated physical and digital intelligence, such as cooking from online recipes, navigating with dynamic map data, or interpreting real-world landmarks using web knowledge. We introduce Embodied Web Agents, a novel paradigm for AI agents that fluidly bridge embodiment and web-scale reasoning. To operationalize this concept, we first develop the Embodied Web Agents task environments, a unified simulation platform that tightly integrates realistic 3D indoor and outdoor environments with functional web interfaces. Building upon this platform, we construct and release the Embodied Web Agents Benchmark, which encompasses a diverse suite of tasks including cooking, navigation, shopping, tourism, and geolocation - all requiring coordinated reasoning across physical and digital realms for systematic assessment of cross-domain intelligence. Experimental results reveal significant performance gaps between state-of-the-art AI systems and human capabilities, establishing both challenges and opportunities at the intersection of embodied cognition and web-scale knowledge access. All datasets, codes and websites are publicly available at our project page https://embodied-web-agent.github.io/.
♻ ☆ Med-U1: Incentivizing Unified Medical Reasoning in LLMs via Large-scale Reinforcement Learning
Medical Question-Answering (QA) encompasses a broad spectrum of tasks, including multiple choice questions (MCQ), open-ended text generation, and complex computational reasoning. Despite this variety, a unified framework for delivering high-quality medical QA has yet to emerge. Although recent progress in reasoning-augmented large language models (LLMs) has shown promise, their ability to achieve comprehensive medical understanding is still largely unexplored. In this paper, we present Med-U1, a unified framework for robust reasoning across medical QA tasks with diverse output formats, ranging from MCQs to complex generation and computation tasks. Med-U1 employs pure large-scale reinforcement learning with mixed rule-based binary reward functions, incorporating a length penalty to manage output verbosity. With multi-objective reward optimization, Med-U1 directs LLMs to produce concise and verifiable reasoning chains. Empirical results reveal that Med-U1 significantly improves performance across multiple challenging Med-QA benchmarks, surpassing even larger specialized and proprietary models. Furthermore, Med-U1 demonstrates robust generalization to out-of-distribution (OOD) tasks. Extensive analysis presents insights into training strategies, reasoning chain length control, and reward design for medical LLMs. Our code is available here.
♻ ☆ Kinetics: Rethinking Test-Time Scaling Laws
We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-$N$, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential and increasingly important with more computing invested, for realizing the full potential of test-time scaling where, unlike training, accuracy has yet to saturate as a function of computation, and continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.
♻ ☆ Adaptive Guidance Accelerates Reinforcement Learning of Reasoning Models
We study the process through which reasoning models trained with reinforcement learning on verifiable rewards (RLVR) can learn to solve new problems. We find that RLVR drives performance in two main ways: (1) by compressing pass@$k$ into pass@1 and (2) via "capability gain" in which models learn to solve new problems that they previously could not solve even at high $k$. We find that while capability gain exists across model scales, learning to solve new problems is primarily driven through self-distillation. We demonstrate these findings across model scales ranging from 0.5B to 72B parameters on >500,000 reasoning problems with prompts and verifiable final answers across math, science, and code domains. We further show that we can significantly improve pass@$k$ rates by leveraging natural language guidance for the model to consider within context while still requiring the model to derive a solution chain from scratch. Based of these insights, we derive $\text{Guide}$ -- a new class of online training algorithms. $\text{Guide}$ adaptively incorporates hints into the model's context on problems for which all rollouts were initially incorrect and adjusts the importance sampling ratio for the "off-policy" trajectories in order to optimize the policy for contexts in which the hints are no longer present. We describe variants of $\text{Guide}$ for GRPO and PPO and empirically show that Guide-GRPO on 7B and 32B parameter models improves generalization over its vanilla counterpart with up to 4$\%$ macro-average improvement across math benchmarks. We include careful ablations to analyze $\text{Guide}$'s components and theoretically analyze Guide's learning efficiency.
Computer Vision and Pattern Recognition 100
☆ VLN-R1: Vision-Language Navigation via Reinforcement Fine-Tuning
Vision-Language Navigation (VLN) is a core challenge in embodied AI, requiring agents to navigate real-world environments using natural language instructions. Current language model-based navigation systems operate on discrete topological graphs, limiting path planning to predefined node connections. We propose VLN-R1, an end-to-end framework that leverages Large Vision-Language Models (LVLM) to directly translate egocentric video streams into continuous navigation actions, adopting GRPO-based training inspired by DeepSeek-R1. To enable effective training, we first construct the VLN-Ego dataset using a 3D simulator, Habitat, and propose Long-Short Memory Sampling to balance historical and current observations. While large language models can supervise complete textual instructions, they lack fine-grained action-level control. Our framework employs a two-stage training approach: a) Supervised fine-tuning (SFT) to align the model's action sequence text predictions with expert demonstrations, followed by b) Reinforcement fine-tuning (RFT) enhanced with a Time-Decayed Reward (TDR) mechanism that strategically weights multi-step future actions. Experimental results show VLN-R1 achieves strong performance on VLN-CE benchmark. VLN-R1 proves LVLMs can drive embodied navigation and enhance task-specific reasoning through data-efficient, reward-driven post-training.
comment: project page: www.vlnr1.github.io
☆ Emergent Temporal Correspondences from Video Diffusion Transformers
Recent advancements in video diffusion models based on Diffusion Transformers (DiTs) have achieved remarkable success in generating temporally coherent videos. Yet, a fundamental question persists: how do these models internally establish and represent temporal correspondences across frames? We introduce DiffTrack, the first quantitative analysis framework designed to answer this question. DiffTrack constructs a dataset of prompt-generated video with pseudo ground-truth tracking annotations and proposes novel evaluation metrics to systematically analyze how each component within the full 3D attention mechanism of DiTs (e.g., representations, layers, and timesteps) contributes to establishing temporal correspondences. Our analysis reveals that query-key similarities in specific, but not all, layers play a critical role in temporal matching, and that this matching becomes increasingly prominent during the denoising process. We demonstrate practical applications of DiffTrack in zero-shot point tracking, where it achieves state-of-the-art performance compared to existing vision foundation and self-supervised video models. Further, we extend our findings to motion-enhanced video generation with a novel guidance method that improves temporal consistency of generated videos without additional training. We believe our work offers crucial insights into the inner workings of video DiTs and establishes a foundation for further research and applications leveraging their temporal understanding.
comment: Project page is available at https:/cvlab-kaist.github.io/DiffTrack
☆ Machine Mental Imagery: Empower Multimodal Reasoning with Latent Visual Tokens
Vision-language models (VLMs) excel at multimodal understanding, yet their text-only decoding forces them to verbalize visual reasoning, limiting performance on tasks that demand visual imagination. Recent attempts train VLMs to render explicit images, but the heavy image-generation pre-training often hinders the reasoning ability. Inspired by the way humans reason with mental imagery-the internal construction and manipulation of visual cues-we investigate whether VLMs can reason through interleaved multimodal trajectories without producing explicit images. To this end, we present a Machine Mental Imagery framework, dubbed as Mirage, which augments VLM decoding with latent visual tokens alongside ordinary text. Concretely, whenever the model chooses to ``think visually'', it recasts its hidden states as next tokens, thereby continuing a multimodal trajectory without generating pixel-level images. Begin by supervising the latent tokens through distillation from ground-truth image embeddings, we then switch to text-only supervision to make the latent trajectory align tightly with the task objective. A subsequent reinforcement learning stage further enhances the multimodal reasoning capability. Experiments on diverse benchmarks demonstrate that Mirage unlocks stronger multimodal reasoning without explicit image generation.
comment: Project page: https://vlm-mirage.github.io/
☆ Long-term Traffic Simulation with Interleaved Autoregressive Motion and Scenario Generation
An ideal traffic simulator replicates the realistic long-term point-to-point trip that a self-driving system experiences during deployment. Prior models and benchmarks focus on closed-loop motion simulation for initial agents in a scene. This is problematic for long-term simulation. Agents enter and exit the scene as the ego vehicle enters new regions. We propose InfGen, a unified next-token prediction model that performs interleaved closed-loop motion simulation and scene generation. InfGen automatically switches between closed-loop motion simulation and scene generation mode. It enables stable long-term rollout simulation. InfGen performs at the state-of-the-art in short-term (9s) traffic simulation, and significantly outperforms all other methods in long-term (30s) simulation. The code and model of InfGen will be released at https://orangesodahub.github.io/InfGen
comment: Preprint. Project page: https://orangesodahub.github.io/InfGen Code: https://github.com/OrangeSodahub/infgen
☆ Part$^{2}$GS: Part-aware Modeling of Articulated Objects using 3D Gaussian Splatting
Articulated objects are common in the real world, yet modeling their structure and motion remains a challenging task for 3D reconstruction methods. In this work, we introduce Part$^{2}$GS, a novel framework for modeling articulated digital twins of multi-part objects with high-fidelity geometry and physically consistent articulation. Part$^{2}$GS leverages a part-aware 3D Gaussian representation that encodes articulated components with learnable attributes, enabling structured, disentangled transformations that preserve high-fidelity geometry. To ensure physically consistent motion, we propose a motion-aware canonical representation guided by physics-based constraints, including contact enforcement, velocity consistency, and vector-field alignment. Furthermore, we introduce a field of repel points to prevent part collisions and maintain stable articulation paths, significantly improving motion coherence over baselines. Extensive evaluations on both synthetic and real-world datasets show that Part$^{2}$GS consistently outperforms state-of-the-art methods by up to 10$\times$ in Chamfer Distance for movable parts.
☆ DreamCube: 3D Panorama Generation via Multi-plane Synchronization
3D panorama synthesis is a promising yet challenging task that demands high-quality and diverse visual appearance and geometry of the generated omnidirectional content. Existing methods leverage rich image priors from pre-trained 2D foundation models to circumvent the scarcity of 3D panoramic data, but the incompatibility between 3D panoramas and 2D single views limits their effectiveness. In this work, we demonstrate that by applying multi-plane synchronization to the operators from 2D foundation models, their capabilities can be seamlessly extended to the omnidirectional domain. Based on this design, we further introduce DreamCube, a multi-plane RGB-D diffusion model for 3D panorama generation, which maximizes the reuse of 2D foundation model priors to achieve diverse appearances and accurate geometry while maintaining multi-view consistency. Extensive experiments demonstrate the effectiveness of our approach in panoramic image generation, panoramic depth estimation, and 3D scene generation.
comment: Project page: https://yukun-huang.github.io/DreamCube/
☆ UniFork: Exploring Modality Alignment for Unified Multimodal Understanding and Generation
Unified image understanding and generation has emerged as a promising paradigm in multimodal artificial intelligence. Despite recent progress, the optimal architectural design for such unified models remains an open challenge. In this work, we start by analyzing the modality alignment behaviors of task-specific expert models for understanding and generation, as well as current unified models. Our analysis reveals a crucial observation: understanding tasks benefit from a progressively increasing modality alignment across network depth, which helps build up semantic information for better comprehension; In contrast, generation tasks follow a different trend: modality alignment increases in the early layers but decreases in the deep layers to recover spatial details. These divergent alignment patterns create a fundamental conflict in fully shared Transformer backbones, where a uniform representational flow often leads to performance compromises across two tasks. Motivated by this finding, we introduce UniFork, a novel Y-shaped architecture that shares the shallow layers for cross-task representation learning, while employing task-specific branches in deeper layers to avoid task interference. This design effectively balances shared learning and task specialization. Through extensive ablation experiments, we demonstrate that Unifork consistently outperforms conventional fully shared Transformer architectures, and achieves performance on par with or better than task-specific models.
comment: Code: https://github.com/tliby/UniFork
☆ Hunyuan-GameCraft: High-dynamic Interactive Game Video Generation with Hybrid History Condition
Recent advances in diffusion-based and controllable video generation have enabled high-quality and temporally coherent video synthesis, laying the groundwork for immersive interactive gaming experiences. However, current methods face limitations in dynamics, generality, long-term consistency, and efficiency, which limit the ability to create various gameplay videos. To address these gaps, we introduce Hunyuan-GameCraft, a novel framework for high-dynamic interactive video generation in game environments. To achieve fine-grained action control, we unify standard keyboard and mouse inputs into a shared camera representation space, facilitating smooth interpolation between various camera and movement operations. Then we propose a hybrid history-conditioned training strategy that extends video sequences autoregressively while preserving game scene information. Additionally, to enhance inference efficiency and playability, we achieve model distillation to reduce computational overhead while maintaining consistency across long temporal sequences, making it suitable for real-time deployment in complex interactive environments. The model is trained on a large-scale dataset comprising over one million gameplay recordings across over 100 AAA games, ensuring broad coverage and diversity, then fine-tuned on a carefully annotated synthetic dataset to enhance precision and control. The curated game scene data significantly improves the visual fidelity, realism and action controllability. Extensive experiments demonstrate that Hunyuan-GameCraft significantly outperforms existing models, advancing the realism and playability of interactive game video generation.
comment: Project page: https://hunyuan-gamecraft.github.io/
☆ Dex1B: Learning with 1B Demonstrations for Dexterous Manipulation
Generating large-scale demonstrations for dexterous hand manipulation remains challenging, and several approaches have been proposed in recent years to address this. Among them, generative models have emerged as a promising paradigm, enabling the efficient creation of diverse and physically plausible demonstrations. In this paper, we introduce Dex1B, a large-scale, diverse, and high-quality demonstration dataset produced with generative models. The dataset contains one billion demonstrations for two fundamental tasks: grasping and articulation. To construct it, we propose a generative model that integrates geometric constraints to improve feasibility and applies additional conditions to enhance diversity. We validate the model on both established and newly introduced simulation benchmarks, where it significantly outperforms prior state-of-the-art methods. Furthermore, we demonstrate its effectiveness and robustness through real-world robot experiments. Our project page is at https://jianglongye.com/dex1b
comment: Accepted to RSS 2025. Project page: https://jianglongye.com/dex1b
☆ Facial Landmark Visualization and Emotion Recognition Through Neural Networks
Emotion recognition from facial images is a crucial task in human-computer interaction, enabling machines to learn human emotions through facial expressions. Previous studies have shown that facial images can be used to train deep learning models; however, most of these studies do not include a through dataset analysis. Visualizing facial landmarks can be challenging when extracting meaningful dataset insights; to address this issue, we propose facial landmark box plots, a visualization technique designed to identify outliers in facial datasets. Additionally, we compare two sets of facial landmark features: (i) the landmarks' absolute positions and (ii) their displacements from a neutral expression to the peak of an emotional expression. Our results indicate that a neural network achieves better performance than a random forest classifier.
comment: Best paper Award COMIA 2025
☆ YASMOT: Yet another stereo image multi-object tracker
There now exists many popular object detectors based on deep learning that can analyze images and extract locations and class labels for occurrences of objects. For image time series (i.e., video or sequences of stills), tracking objects over time and preserving object identity can help to improve object detection performance, and is necessary for many downstream tasks, including classifying and predicting behaviors, and estimating total abundances. Here we present yasmot, a lightweight and flexible object tracker that can process the output from popular object detectors and track objects over time from either monoscopic or stereoscopic camera configurations. In addition, it includes functionality to generate consensus detections from ensembles of object detectors.
comment: 5 pages
☆ Proportional Sensitivity in Generative Adversarial Network (GAN)-Augmented Brain Tumor Classification Using Convolutional Neural Network
Generative Adversarial Networks (GAN) have shown potential in expanding limited medical imaging datasets. This study explores how different ratios of GAN-generated and real brain tumor MRI images impact the performance of a CNN in classifying healthy vs. tumorous scans. A DCGAN was used to create synthetic images which were mixed with real ones at various ratios to train a custom CNN. The CNN was then evaluated on a separate real-world test set. Our results indicate that the model maintains high sensitivity and precision in tumor classification, even when trained predominantly on synthetic data. When only a small portion of GAN data was added, such as 900 real images and 100 GAN images, the model achieved excellent performance, with test accuracy reaching 95.2%, and precision, recall, and F1-score all exceeding 95%. However, as the proportion of GAN images increased further, performance gradually declined. This study suggests that while GANs are useful for augmenting limited datasets especially when real data is scarce, too much synthetic data can introduce artifacts that affect the model's ability to generalize to real world cases.
comment: This papaer has been submitted to The 18th International Conference on Brain Informatics (BI'25), Italy
☆ Co-Seg++: Mutual Prompt-Guided Collaborative Learning for Versatile Medical Segmentation
Medical image analysis is critical yet challenged by the need of jointly segmenting organs or tissues, and numerous instances for anatomical structures and tumor microenvironment analysis. Existing studies typically formulated different segmentation tasks in isolation, which overlooks the fundamental interdependencies between these tasks, leading to suboptimal segmentation performance and insufficient medical image understanding. To address this issue, we propose a Co-Seg++ framework for versatile medical segmentation. Specifically, we introduce a novel co-segmentation paradigm, allowing semantic and instance segmentation tasks to mutually enhance each other. We first devise a spatio-temporal prompt encoder (STP-Encoder) to capture long-range spatial and temporal relationships between segmentation regions and image embeddings as prior spatial constraints. Moreover, we devise a multi-task collaborative decoder (MTC-Decoder) that leverages cross-guidance to strengthen the contextual consistency of both tasks, jointly computing semantic and instance segmentation masks. Extensive experiments on diverse CT and histopathology datasets demonstrate that the proposed Co-Seg++ outperforms state-of-the-arts in the semantic, instance, and panoptic segmentation of dental anatomical structures, histopathology tissues, and nuclei instances. The source code is available at https://github.com/xq141839/Co-Seg-Plus.
comment: Under Review
☆ Do We Need Large VLMs for Spotting Soccer Actions?
Traditional video-based tasks like soccer action spotting rely heavily on visual inputs, often requiring complex and computationally expensive models to process dense video data. In this work, we propose a shift from this video-centric approach to a text-based task, making it lightweight and scalable by utilizing Large Language Models (LLMs) instead of Vision-Language Models (VLMs). We posit that expert commentary, which provides rich, fine-grained descriptions and contextual cues such as excitement and tactical insights, contains enough information to reliably spot key actions in a match. To demonstrate this, we use the SoccerNet Echoes dataset, which provides timestamped commentary, and employ a system of three LLMs acting as judges specializing in outcome, excitement, and tactics. Each LLM evaluates sliding windows of commentary to identify actions like goals, cards, and substitutions, generating accurate timestamps for these events. Our experiments show that this language-centric approach performs effectively in detecting critical match events, providing a lightweight and training-free alternative to traditional video-based methods for action spotting.
comment: 5 pages, 2 figures
☆ MeDi: Metadata-Guided Diffusion Models for Mitigating Biases in Tumor Classification
Deep learning models have made significant advances in histological prediction tasks in recent years. However, for adaptation in clinical practice, their lack of robustness to varying conditions such as staining, scanner, hospital, and demographics is still a limiting factor: if trained on overrepresented subpopulations, models regularly struggle with less frequent patterns, leading to shortcut learning and biased predictions. Large-scale foundation models have not fully eliminated this issue. Therefore, we propose a novel approach explicitly modeling such metadata into a Metadata-guided generative Diffusion model framework (MeDi). MeDi allows for a targeted augmentation of underrepresented subpopulations with synthetic data, which balances limited training data and mitigates biases in downstream models. We experimentally show that MeDi generates high-quality histopathology images for unseen subpopulations in TCGA, boosts the overall fidelity of the generated images, and enables improvements in performance for downstream classifiers on datasets with subpopulation shifts. Our work is a proof-of-concept towards better mitigating data biases with generative models.
☆ On the Theory of Conditional Feature Alignment for Unsupervised Domain-Adaptive Counting
Object counting models suffer when deployed across domains with differing density variety, since density shifts are inherently task-relevant and violate standard domain adaptation assumptions. To address this, we propose a theoretical framework of conditional feature alignment. We first formalize the notion of conditional divergence by partitioning each domain into subsets (e.g., object vs. background) and measuring divergences per condition. We then derive a joint error bound showing that, under discrete label spaces treated as condition sets, aligning distributions conditionally leads to tighter bounds on the combined source-target decision error than unconditional alignment. These insights motivate a general conditional adaptation principle: by preserving task-relevant variations while filtering out nuisance shifts, one can achieve superior cross-domain generalization for counting. We provide both defining conditional divergence then proving its benefit in lowering joint error and a practical adaptation strategy that preserves task-relevant information in unsupervised domain-adaptive counting. We demonstrate the effectiveness of our approach through extensive experiments on multiple counting datasets with varying density distributions. The results show that our method outperforms existing unsupervised domain adaptation methods, empirically validating the theoretical insights on conditional feature alignment.
comment: 18 pages, 5 figures, 8 tables
☆ Semi-Supervised Multi-Modal Medical Image Segmentation for Complex Situations MICCAI 2025
Semi-supervised learning addresses the issue of limited annotations in medical images effectively, but its performance is often inadequate for complex backgrounds and challenging tasks. Multi-modal fusion methods can significantly improve the accuracy of medical image segmentation by providing complementary information. However, they face challenges in achieving significant improvements under semi-supervised conditions due to the challenge of effectively leveraging unlabeled data. There is a significant need to create an effective and reliable multi-modal learning strategy for leveraging unlabeled data in semi-supervised segmentation. To address these issues, we propose a novel semi-supervised multi-modal medical image segmentation approach, which leverages complementary multi-modal information to enhance performance with limited labeled data. Our approach employs a multi-stage multi-modal fusion and enhancement strategy to fully utilize complementary multi-modal information, while reducing feature discrepancies and enhancing feature sharing and alignment. Furthermore, we effectively introduce contrastive mutual learning to constrain prediction consistency across modalities, thereby facilitating the robustness of segmentation results in semi-supervised tasks. Experimental results on two multi-modal datasets demonstrate the superior performance and robustness of the proposed framework, establishing its valuable potential for solving medical image segmentation tasks in complex scenarios.
comment: 10 pages, 2 figures, accepted at MICCAI 2025
☆ Dynamic Watermark Generation for Digital Images using Perimeter Gated SPAD Imager PUFs
Digital image watermarks as a security feature can be derived from the imager's physically unclonable functions (PUFs) by utilizing the manufacturing variations, i.e., the dark signal non-uniformity (DSNU). While a few demonstrations focused on the CMOS image sensors (CIS) and active pixel sensors (APS), single photon avalanche diode (SPAD) imagers have never been investigated for this purpose. In this work, we have proposed a novel watermarking technique using perimeter gated SPAD (pgSPAD) imagers. We utilized the DSNU of three 64 x 64 pgSPAD imager chips, fabricated in a 0.35 {\mu}m standard CMOS process and analyzed the simulated watermarks for standard test images from publicly available database. Our observation shows that both source identification and tamper detection can be achieved using the proposed source-scene-specific dynamic watermarks with a controllable sensitivity-robustness trade-off.
comment: 5 pages, 7 figures, accepted at MWSCAS 2025 Conference
☆ Robust Training with Data Augmentation for Medical Imaging Classification
Deep neural networks are increasingly being used to detect and diagnose medical conditions using medical imaging. Despite their utility, these models are highly vulnerable to adversarial attacks and distribution shifts, which can affect diagnostic reliability and undermine trust among healthcare professionals. In this study, we propose a robust training algorithm with data augmentation (RTDA) to mitigate these vulnerabilities in medical image classification. We benchmark classifier robustness against adversarial perturbations and natural variations of RTDA and six competing baseline techniques, including adversarial training and data augmentation approaches in isolation and combination, using experimental data sets with three different imaging technologies (mammograms, X-rays, and ultrasound). We demonstrate that RTDA achieves superior robustness against adversarial attacks and improved generalization performance in the presence of distribution shift in each image classification task while maintaining high clean accuracy.
☆ RGBTrack: Fast, Robust Depth-Free 6D Pose Estimation and Tracking
We introduce a robust framework, RGBTrack, for real-time 6D pose estimation and tracking that operates solely on RGB data, thereby eliminating the need for depth input for such dynamic and precise object pose tracking tasks. Building on the FoundationPose architecture, we devise a novel binary search strategy combined with a render-and-compare mechanism to efficiently infer depth and generate robust pose hypotheses from true-scale CAD models. To maintain stable tracking in dynamic scenarios, including rapid movements and occlusions, RGBTrack integrates state-of-the-art 2D object tracking (XMem) with a Kalman filter and a state machine for proactive object pose recovery. In addition, RGBTrack's scale recovery module dynamically adapts CAD models of unknown scale using an initial depth estimate, enabling seamless integration with modern generative reconstruction techniques. Extensive evaluations on benchmark datasets demonstrate that RGBTrack's novel depth-free approach achieves competitive accuracy and real-time performance, making it a promising practical solution candidate for application areas including robotics, augmented reality, and computer vision. The source code for our implementation will be made publicly available at https://github.com/GreatenAnoymous/RGBTrack.git.
comment: Accepted to IROS 2025
☆ MEXA: Towards General Multimodal Reasoning with Dynamic Multi-Expert Aggregation
Combining pre-trained expert models offers substantial potential for scalable multimodal reasoning, but building a unified framework remains challenging due to the increasing diversity of input modalities and task complexity. For instance, medical diagnosis requires precise reasoning over structured clinical tables, while financial forecasting depends on interpreting plot-based data to make informed predictions. To tackle this challenge, we introduce MEXA, a training-free framework that performs modality- and task-aware aggregation of multiple expert models to enable effective multimodal reasoning across diverse and distinct domains. MEXA dynamically selects expert models based on the input modality and the task-specific reasoning demands (i.e., skills). Each expert model, specialized in a modality task pair, generates interpretable textual reasoning outputs. MEXA then aggregates and reasons over these outputs using a Large Reasoning Model (LRM) to produce the final answer. This modular design allows flexible and transparent multimodal reasoning across diverse domains without additional training overhead. We extensively evaluate our approach on diverse multimodal benchmarks, including Video Reasoning, Audio Reasoning, 3D Understanding, and Medical QA. MEXA consistently delivers performance improvements over strong multimodal baselines, highlighting the effectiveness and broad applicability of our expert-driven selection and aggregation in diverse multimodal reasoning tasks.
comment: The first two authors contributed equally; Github link: https://github.com/Yui010206/MEXA
☆ Monocular One-Shot Metric-Depth Alignment for RGB-Based Robot Grasping
Accurate 6D object pose estimation is a prerequisite for successfully completing robotic prehensile and non-prehensile manipulation tasks. At present, 6D pose estimation for robotic manipulation generally relies on depth sensors based on, e.g., structured light, time-of-flight, and stereo-vision, which can be expensive, produce noisy output (as compared with RGB cameras), and fail to handle transparent objects. On the other hand, state-of-the-art monocular depth estimation models (MDEMs) provide only affine-invariant depths up to an unknown scale and shift. Metric MDEMs achieve some successful zero-shot results on public datasets, but fail to generalize. We propose a novel framework, Monocular One-shot Metric-depth Alignment (MOMA), to recover metric depth from a single RGB image, through a one-shot adaptation building on MDEM techniques. MOMA performs scale-rotation-shift alignments during camera calibration, guided by sparse ground-truth depth points, enabling accurate depth estimation without additional data collection or model retraining on the testing setup. MOMA supports fine-tuning the MDEM on transparent objects, demonstrating strong generalization capabilities. Real-world experiments on tabletop 2-finger grasping and suction-based bin-picking applications show MOMA achieves high success rates in diverse tasks, confirming its effectiveness.
comment: Accepted to IROS 2025
☆ Acquiring and Accumulating Knowledge from Diverse Datasets for Multi-label Driving Scene Classification
Driving scene identification, which assigns multiple non-exclusive class labels to a scene, provides the contextual awareness necessary for enhancing autonomous vehicles' ability to understand, reason about, and interact with the complex driving environment. As a multi-label classification problem, it is better tackled via multitasking learning. However, directly training a multi-label classification model for driving scene identification through multitask learning presents two main challenges: acquiring a balanced, comprehensively annotated multi-label dataset and balancing learning across different tasks. This paper introduces a novel learning system that synergizes knowledge acquisition and accumulation (KAA) with consistency-based active learning (CAL) to address those challenges. KAA acquires and accumulates knowledge about scene identification from various single-label datasets via monotask learning. Subsequently, CAL effectively resolves the knowledge gap caused by the discrepancy between the marginal distributions of individual attributes and their joint distribution. An ablation study on our Driving Scene Identification (DSI) dataset demonstrates a 56.1% performance increase over the baseline model pretrained on ImageNet. Of this, KAA accounts for 31.3% of the gain, and CAL contributes 24.8%. Moreover, KAA-CAL stands out as the best performer when compared to state-of-the-art (SOTA) multi-label models on two public datasets, BDD100K and HSD, achieving this while using 85% less data. The DSI dataset and the implementation code for KAA-CAL are available at https://github.com/KELISBU/KAA-CAL .
☆ Assembler: Scalable 3D Part Assembly via Anchor Point Diffusion
We present Assembler, a scalable and generalizable framework for 3D part assembly that reconstructs complete objects from input part meshes and a reference image. Unlike prior approaches that mostly rely on deterministic part pose prediction and category-specific training, Assembler is designed to handle diverse, in-the-wild objects with varying part counts, geometries, and structures. It addresses the core challenges of scaling to general 3D part assembly through innovations in task formulation, representation, and data. First, Assembler casts part assembly as a generative problem and employs diffusion models to sample plausible configurations, effectively capturing ambiguities arising from symmetry, repeated parts, and multiple valid assemblies. Second, we introduce a novel shape-centric representation based on sparse anchor point clouds, enabling scalable generation in Euclidean space rather than SE(3) pose prediction. Third, we construct a large-scale dataset of over 320K diverse part-object assemblies using a synthesis and filtering pipeline built on existing 3D shape repositories. Assembler achieves state-of-the-art performance on PartNet and is the first to demonstrate high-quality assembly for complex, real-world objects. Based on Assembler, we further introduce an interesting part-aware 3D modeling system that generates high-resolution, editable objects from images, demonstrating potential for interactive and compositional design. Project page: https://assembler3d.github.io
comment: Technical Report. Project page: https://assembler3d.github.io
☆ Relaxed syntax modeling in Transformers for future-proof license plate recognition
Effective license plate recognition systems are required to be resilient to constant change, as new license plates are released into traffic daily. While Transformer-based networks excel in their recognition at first sight, we observe significant performance drop over time which proves them unsuitable for tense production environments. Indeed, such systems obtain state-of-the-art results on plates whose syntax is seen during training. Yet, we show they perform similarly to random guessing on future plates where legible characters are wrongly recognized due to a shift in their syntax. After highlighting the flows of positional and contextual information in Transformer encoder-decoders, we identify several causes for their over-reliance on past syntax. Following, we devise architectural cut-offs and replacements which we integrate into SaLT, an attempt at a Syntax-Less Transformer for syntax-agnostic modeling of license plate representations. Experiments on both real and synthetic datasets show that our approach reaches top accuracy on past syntax and most importantly nearly maintains performance on future license plates. We further demonstrate the robustness of our architecture enhancements by way of various ablations.
☆ Stretching Beyond the Obvious: A Gradient-Free Framework to Unveil the Hidden Landscape of Visual Invariance
Uncovering which features' combinations high-level visual units encode is critical to understand how images are transformed into representations that support recognition. While existing feature visualization approaches typically infer a unit's most exciting images, this is insufficient to reveal the manifold of transformations under which responses remain invariant, which is key to generalization in vision. Here we introduce Stretch-and-Squeeze (SnS), an unbiased, model-agnostic, and gradient-free framework to systematically characterize a unit's invariance landscape and its vulnerability to adversarial perturbations in both biological and artificial visual systems. SnS frames these transformations as bi-objective optimization problems. To probe invariance, SnS seeks image perturbations that maximally alter the representation of a reference stimulus in a given processing stage while preserving unit activation. To probe adversarial sensitivity, SnS seeks perturbations that minimally alter the stimulus while suppressing unit activation. Applied to convolutional neural networks (CNNs), SnS revealed image variations that were further from a reference image in pixel-space than those produced by affine transformations, while more strongly preserving the target unit's response. The discovered invariant images differed dramatically depending on the choice of image representation used for optimization: pixel-level changes primarily affected luminance and contrast, while stretching mid- and late-layer CNN representations altered texture and pose respectively. Notably, the invariant images from robust networks were more recognizable by human subjects than those from standard networks, supporting the higher fidelity of robust CNNs as models of the visual system.
comment: 21 pages, 9 figures
☆ Unsupervised Image Super-Resolution Reconstruction Based on Real-World Degradation Patterns
The training of real-world super-resolution reconstruction models heavily relies on datasets that reflect real-world degradation patterns. Extracting and modeling degradation patterns for super-resolution reconstruction using only real-world low-resolution (LR) images remains a challenging task. When synthesizing datasets to simulate real-world degradation, relying solely on degradation extraction methods fails to capture both blur and diverse noise characteristics across varying LR distributions, as well as more implicit degradations such as color gamut shifts. Conversely, domain translation alone cannot accurately approximate real-world blur characteristics due to the significant degradation domain gap between synthetic and real data. To address these challenges, we propose a novel TripleGAN framework comprising two strategically designed components: The FirstGAN primarily focuses on narrowing the domain gap in blur characteristics, while the SecondGAN performs domain-specific translation to approximate target-domain blur properties and learn additional degradation patterns. The ThirdGAN is trained on pseudo-real data generated by the FirstGAN and SecondGAN to reconstruct real-world LR images. Extensive experiments on the RealSR and DRealSR datasets demonstrate that our method exhibits clear advantages in quantitative metrics while maintaining sharp reconstructions without over-smoothing artifacts. The proposed framework effectively learns real-world degradation patterns from LR observations and synthesizes aligned datasets with corresponding degradation characteristics, thereby enabling the trained network to achieve superior performance in reconstructing high-quality SR images from real-world LR inputs.
☆ A Synthetic Benchmark for Collaborative 3D Semantic Occupancy Prediction in V2X Autonomous Driving
3D semantic occupancy prediction is an emerging perception paradigm in autonomous driving, providing a voxel-level representation of both geometric details and semantic categories. However, the perception capability of a single vehicle is inherently constrained by occlusion, restricted sensor range, and narrow viewpoints. To address these limitations, collaborative perception enables the exchange of complementary information, thereby enhancing the completeness and accuracy. In the absence of a dedicated dataset for collaborative 3D semantic occupancy prediction, we augment an existing collaborative perception dataset by replaying it in CARLA with a high-resolution semantic voxel sensor to provide dense and comprehensive occupancy annotations. In addition, we establish benchmarks with varying prediction ranges designed to systematically assess the impact of spatial extent on collaborative prediction. We further develop a baseline model that performs inter-agent feature fusion via spatial alignment and attention aggregation. Experimental results demonstrate that our baseline model consistently outperforms single-agent models, with increasing gains observed as the prediction range expands.
☆ Prmpt2Adpt: Prompt-Based Zero-Shot Domain Adaptation for Resource-Constrained Environments
Unsupervised Domain Adaptation (UDA) is a critical challenge in real-world vision systems, especially in resource-constrained environments like drones, where memory and computation are limited. Existing prompt-driven UDA methods typically rely on large vision-language models and require full access to source-domain data during adaptation, limiting their applicability. In this work, we propose Prmpt2Adpt, a lightweight and efficient zero-shot domain adaptation framework built around a teacher-student paradigm guided by prompt-based feature alignment. At the core of our method is a distilled and fine-tuned CLIP model, used as the frozen backbone of a Faster R-CNN teacher. A small set of low-level source features is aligned to the target domain semantics-specified only through a natural language prompt-via Prompt-driven Instance Normalization (PIN). These semantically steered features are used to briefly fine-tune the detection head of the teacher model. The adapted teacher then generates high-quality pseudo-labels, which guide the on-the-fly adaptation of a compact student model. Experiments on the MDS-A dataset demonstrate that Prmpt2Adpt achieves competitive detection performance compared to state-of-the-art methods, while delivering up to 7x faster adaptation and 5x faster inference speed using few source images-making it a practical and scalable solution for real-time adaptation in low-resource domains.
☆ ForestFormer3D: A Unified Framework for End-to-End Segmentation of Forest LiDAR 3D Point Clouds
The segmentation of forest LiDAR 3D point clouds, including both individual tree and semantic segmentation, is fundamental for advancing forest management and ecological research. However, current approaches often struggle with the complexity and variability of natural forest environments. We present ForestFormer3D, a new unified and end-to-end framework designed for precise individual tree and semantic segmentation. ForestFormer3D incorporates ISA-guided query point selection, a score-based block merging strategy during inference, and a one-to-many association mechanism for effective training. By combining these new components, our model achieves state-of-the-art performance for individual tree segmentation on the newly introduced FOR-instanceV2 dataset, which spans diverse forest types and regions. Additionally, ForestFormer3D generalizes well to unseen test sets (Wytham woods and LAUTx), showcasing its robustness across different forest conditions and sensor modalities. The FOR-instanceV2 dataset and the ForestFormer3D code will be released soon.
☆ Enhancing Step-by-Step and Verifiable Medical Reasoning in MLLMs
Multimodal large language models (MLLMs) have begun to demonstrate robust reasoning capabilities on general tasks, yet their application in the medical domain remains in its early stages. Constructing chain-of-thought (CoT) training data is essential for bolstering the reasoning abilities of medical MLLMs. However, existing approaches exhibit a deficiency in offering a comprehensive framework for searching and evaluating effective reasoning paths towards critical diagnosis. To address this challenge, we propose Mentor-Intern Collaborative Search (MICS), a novel reasoning-path searching scheme to generate rigorous and effective medical CoT data. MICS first leverages mentor models to initialize the reasoning, one step at a time, then prompts each intern model to continue the thinking along those initiated paths, and finally selects the optimal reasoning path according to the overall reasoning performance of multiple intern models. The reasoning performance is determined by an MICS-Score, which assesses the quality of generated reasoning paths. Eventually, we construct MMRP, a multi-task medical reasoning dataset with ranked difficulty, and Chiron-o1, a new medical MLLM devised via a curriculum learning strategy, with robust visual question-answering and generalizable reasoning capabilities. Extensive experiments demonstrate that Chiron-o1, trained on our CoT dataset constructed using MICS, achieves state-of-the-art performance across a list of medical visual question answering and reasoning benchmarks. Codes are available at GitHub - manglu097/Chiron-o1: Enhancing Step-by-Step and Verifiable Medical Reasoning in MLLMs
☆ Reversing Flow for Image Restoration CVPR2025
Image restoration aims to recover high-quality (HQ) images from degraded low-quality (LQ) ones by reversing the effects of degradation. Existing generative models for image restoration, including diffusion and score-based models, often treat the degradation process as a stochastic transformation, which introduces inefficiency and complexity. In this work, we propose ResFlow, a novel image restoration framework that models the degradation process as a deterministic path using continuous normalizing flows. ResFlow augments the degradation process with an auxiliary process that disambiguates the uncertainty in HQ prediction to enable reversible modeling of the degradation process. ResFlow adopts entropy-preserving flow paths and learns the augmented degradation flow by matching the velocity field. ResFlow significantly improves the performance and speed of image restoration, completing the task in fewer than four sampling steps. Extensive experiments demonstrate that ResFlow achieves state-of-the-art results across various image restoration benchmarks, offering a practical and efficient solution for real-world applications.
comment: CVPR2025 Final Version; Corresponding Author: Bing Li
☆ Visual-Instructed Degradation Diffusion for All-in-One Image Restoration CVPR2025
Image restoration tasks like deblurring, denoising, and dehazing usually need distinct models for each degradation type, restricting their generalization in real-world scenarios with mixed or unknown degradations. In this work, we propose \textbf{Defusion}, a novel all-in-one image restoration framework that utilizes visual instruction-guided degradation diffusion. Unlike existing methods that rely on task-specific models or ambiguous text-based priors, Defusion constructs explicit \textbf{visual instructions} that align with the visual degradation patterns. These instructions are grounded by applying degradations to standardized visual elements, capturing intrinsic degradation features while agnostic to image semantics. Defusion then uses these visual instructions to guide a diffusion-based model that operates directly in the degradation space, where it reconstructs high-quality images by denoising the degradation effects with enhanced stability and generalizability. Comprehensive experiments demonstrate that Defusion outperforms state-of-the-art methods across diverse image restoration tasks, including complex and real-world degradations.
comment: CVPR2025 Final Version; Corresponding Author: Bing Li
☆ LAION-C: An Out-of-Distribution Benchmark for Web-Scale Vision Models ICML 2025
Out-of-distribution (OOD) robustness is a desired property of computer vision models. Improving model robustness requires high-quality signals from robustness benchmarks to quantify progress. While various benchmark datasets such as ImageNet-C were proposed in the ImageNet era, most ImageNet-C corruption types are no longer OOD relative to today's large, web-scraped datasets, which already contain common corruptions such as blur or JPEG compression artifacts. Consequently, these benchmarks are no longer well-suited for evaluating OOD robustness in the era of web-scale datasets. Indeed, recent models show saturating scores on ImageNet-era OOD benchmarks, indicating that it is unclear whether models trained on web-scale datasets truly become better at OOD generalization or whether they have simply been exposed to the test distortions during training. To address this, we introduce LAION-C as a benchmark alternative for ImageNet-C. LAION-C consists of six novel distortion types specifically designed to be OOD, even for web-scale datasets such as LAION. In a comprehensive evaluation of state-of-the-art models, we find that the LAION-C dataset poses significant challenges to contemporary models, including MLLMs such as Gemini and GPT-4o. We additionally conducted a psychophysical experiment to evaluate the difficulty of our corruptions for human observers, enabling a comparison of models to lab-quality human robustness data. We observe a paradigm shift in OOD generalization: from humans outperforming models, to the best models now matching or outperforming the best human observers.
comment: ICML 2025 camera ready version
☆ LunarLoc: Segment-Based Global Localization on the Moon
Global localization is necessary for autonomous operations on the lunar surface where traditional Earth-based navigation infrastructure, such as GPS, is unavailable. As NASA advances toward sustained lunar presence under the Artemis program, autonomous operations will be an essential component of tasks such as robotic exploration and infrastructure deployment. Tasks such as excavation and transport of regolith require precise pose estimation, but proposed approaches such as visual-inertial odometry (VIO) accumulate odometry drift over long traverses. Precise pose estimation is particularly important for upcoming missions such as the ISRU Pilot Excavator (IPEx) that rely on autonomous agents to operate over extended timescales and varied terrain. To help overcome odometry drift over long traverses, we propose LunarLoc, an approach to global localization that leverages instance segmentation for zero-shot extraction of boulder landmarks from onboard stereo imagery. Segment detections are used to construct a graph-based representation of the terrain, which is then aligned with a reference map of the environment captured during a previous session using graph-theoretic data association. This method enables accurate and drift-free global localization in visually ambiguous settings. LunarLoc achieves sub-cm level accuracy in multi-session global localization experiments, significantly outperforming the state of the art in lunar global localization. To encourage the development of further methods for global localization on the Moon, we release our datasets publicly with a playback module: https://github.com/mit-acl/lunarloc-data.
☆ PET Tracer Separation Using Conditional Diffusion Transformer with Multi-latent Space Learning
In clinical practice, single-radiotracer positron emission tomography (PET) is commonly used for imaging. Although multi-tracer PET imaging can provide supplementary information of radiotracers that are sensitive to physiological function changes, enabling a more comprehensive characterization of physiological and pathological states, the gamma-photon pairs generated by positron annihilation reactions of different tracers in PET imaging have the same energy, making it difficult to distinguish the tracer signals. In this study, a multi-latent space guided texture conditional diffusion transformer model (MS-CDT) is proposed for PET tracer separation. To the best of our knowledge, this is the first attempt to use texture condition and multi-latent space for tracer separation in PET imaging. The proposed model integrates diffusion and transformer architectures into a unified optimization framework, with the novel addition of texture masks as conditional inputs to enhance image details. By leveraging multi-latent space prior derived from different tracers, the model captures multi-level feature representations, aiming to balance computational efficiency and detail preservation. The texture masks, serving as conditional guidance, help the model focus on salient structural patterns, thereby improving the extraction and utilization of fine-grained image textures. When combined with the diffusion transformer backbone, this conditioning mechanism contributes to more accurate and robust tracer separation. To evaluate its effectiveness, the proposed MS-CDT is compared with several advanced methods on two types of 3D PET datasets: brain and chest scans. Experimental results indicate that MS-CDT achieved competitive performance in terms of image quality and preservation of clinically relevant information. Code is available at: https://github.com/yqx7150/MS-CDT.
☆ AI's Blind Spots: Geographic Knowledge and Diversity Deficit in Generated Urban Scenario
Image generation models are revolutionizing many domains, and urban analysis and design is no exception. While such models are widely adopted, there is a limited literature exploring their geographic knowledge, along with the biases they embed. In this work, we generated 150 synthetic images for each state in the USA and related capitals using FLUX 1 and Stable Diffusion 3.5, two state-of-the-art models for image generation. We embed each image using DINO-v2 ViT-S/14 and the Fr\'echet Inception Distances to measure the similarity between the generated images. We found that while these models have implicitly learned aspects of USA geography, if we prompt the models to generate an image for "United States" instead of specific cities or states, the models exhibit a strong representative bias toward metropolis-like areas, excluding rural states and smaller cities. {\color{black} In addition, we found that models systematically exhibit some entity-disambiguation issues with European-sounding names like Frankfort or Devon.
☆ With Limited Data for Multimodal Alignment, Let the STRUCTURE Guide You
Multimodal models have demonstrated powerful capabilities in complex tasks requiring multimodal alignment including zero-shot classification and cross-modal retrieval. However, existing models typically rely on millions of paired multimodal samples, which are prohibitively expensive or infeasible to obtain in many domains. In this work, we explore the feasibility of building multimodal models with limited amount of paired data by aligning pretrained unimodal foundation models. We show that high-quality alignment is possible with as few as tens of thousands of paired samples$\unicode{x2013}$less than $1\%$ of the data typically used in the field. To achieve this, we introduce STRUCTURE, an effective regularization technique that preserves the neighborhood geometry of the latent space of unimodal encoders. Additionally, we show that aligning last layers is often suboptimal and demonstrate the benefits of aligning the layers with the highest representational similarity across modalities. These two components can be readily incorporated into existing alignment methods, yielding substantial gains across 24 zero-shot image classification and retrieval benchmarks, with average relative improvement of $51.6\%$ in classification and $91.8\%$ in retrieval tasks. Our results highlight the effectiveness and broad applicability of our framework for limited-sample multimodal learning and offer a promising path forward for resource-constrained domains.
☆ From Lab to Factory: Pitfalls and Guidelines for Self-/Unsupervised Defect Detection on Low-Quality Industrial Images KDD '25
The detection and localization of quality-related problems in industrially mass-produced products has historically relied on manual inspection, which is costly and error-prone. Machine learning has the potential to replace manual handling. As such, the desire is to facilitate an unsupervised (or self-supervised) approach, as it is often impossible to specify all conceivable defects ahead of time. A plethora of prior works have demonstrated the aptitude of common reconstruction-, embedding-, and synthesis-based methods in laboratory settings. However, in practice, we observe that most methods do not handle low data quality well or exude low robustness in unfavorable, but typical real-world settings. For practitioners it may be very difficult to identify the actual underlying problem when such methods underperform. Worse, often-reported metrics (e.g., AUROC) are rarely suitable in practice and may give misleading results. In our setting, we attempt to identify subtle anomalies on the surface of blasted forged metal parts, using rather low-quality RGB imagery only, which is a common industrial setting. We specifically evaluate two types of state-of-the-art models that allow us to identify and improve quality issues in production data, without having to obtain new data. Our contribution is to provide guardrails for practitioners that allow them to identify problems related to, e.g., (lack of) robustness or invariance, in either the chosen model or the data reliably in similar scenarios. Furthermore, we exemplify common pitfalls in and shortcomings of likelihood-based approaches and outline a framework for proper empirical risk estimation that is more suitable for real-world scenarios.
comment: 18 pages, 7 figures, 1 table. Camera-ready version for the 2025 conference European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD '25)
☆ ParkFormer: A Transformer-Based Parking Policy with Goal Embedding and Pedestrian-Aware Control
Autonomous parking plays a vital role in intelligent vehicle systems, particularly in constrained urban environments where high-precision control is required. While traditional rule-based parking systems struggle with environmental uncertainties and lack adaptability in crowded or dynamic scenes, human drivers demonstrate the ability to park intuitively without explicit modeling. Inspired by this observation, we propose a Transformer-based end-to-end framework for autonomous parking that learns from expert demonstrations. The network takes as input surround-view camera images, goal-point representations, ego vehicle motion, and pedestrian trajectories. It outputs discrete control sequences including throttle, braking, steering, and gear selection. A novel cross-attention module integrates BEV features with target points, and a GRU-based pedestrian predictor enhances safety by modeling dynamic obstacles. We validate our method on the CARLA 0.9.14 simulator in both vertical and parallel parking scenarios. Experiments show our model achieves a high success rate of 96.57\%, with average positional and orientation errors of 0.21 meters and 0.41 degrees, respectively. The ablation studies further demonstrate the effectiveness of key modules such as pedestrian prediction and goal-point attention fusion. The code and dataset will be released at: https://github.com/little-snail-f/ParkFormer.
☆ Controllable and Expressive One-Shot Video Head Swapping
In this paper, we propose a novel diffusion-based multi-condition controllable framework for video head swapping, which seamlessly transplant a human head from a static image into a dynamic video, while preserving the original body and background of target video, and further allowing to tweak head expressions and movements during swapping as needed. Existing face-swapping methods mainly focus on localized facial replacement neglecting holistic head morphology, while head-swapping approaches struggling with hairstyle diversity and complex backgrounds, and none of these methods allow users to modify the transplanted head expressions after swapping. To tackle these challenges, our method incorporates several innovative strategies through a unified latent diffusion paradigm. 1) Identity-preserving context fusion: We propose a shape-agnostic mask strategy to explicitly disentangle foreground head identity features from background/body contexts, combining hair enhancement strategy to achieve robust holistic head identity preservation across diverse hair types and complex backgrounds. 2) Expression-aware landmark retargeting and editing: We propose a disentangled 3DMM-driven retargeting module that decouples identity, expression, and head poses, minimizing the impact of original expressions in input images and supporting expression editing. While a scale-aware retargeting strategy is further employed to minimize cross-identity expression distortion for higher transfer precision. Experimental results demonstrate that our method excels in seamless background integration while preserving the identity of the source portrait, as well as showcasing superior expression transfer capabilities applicable to both real and virtual characters.
comment: Project page: https://humanaigc.github.io/SwapAnyHead/
☆ Camera Calibration via Circular Patterns: A Comprehensive Framework with Measurement Uncertainty and Unbiased Projection Model
Camera calibration using planar targets has been widely favored, and two types of control points have been mainly considered as measurements: the corners of the checkerboard and the centroid of circles. Since a centroid is derived from numerous pixels, the circular pattern provides more precise measurements than the checkerboard. However, the existing projection model of circle centroids is biased under lens distortion, resulting in low performance. To surmount this limitation, we propose an unbiased projection model of the circular pattern and demonstrate its superior accuracy compared to the checkerboard. Complementing this, we introduce uncertainty into circular patterns to enhance calibration robustness and completeness. Defining centroid uncertainty improves the performance of calibration components, including pattern detection, optimization, and evaluation metrics. We also provide guidelines for performing good camera calibration based on the evaluation metric. The core concept of this approach is to model the boundary points of a two-dimensional shape as a Markov random field, considering its connectivity. The shape distribution is propagated to the centroid uncertainty through an appropriate shape representation based on the Green theorem. Consequently, the resulting framework achieves marked gains in calibration accuracy and robustness. The complete source code and demonstration video are available at https://github.com/chaehyeonsong/discocal.
☆ Beyond Blur: A Fluid Perspective on Generative Diffusion Models
We propose a novel PDE-driven corruption process for generative image synthesis based on advection-diffusion processes which generalizes existing PDE-based approaches. Our forward pass formulates image corruption via a physically motivated PDE that couples directional advection with isotropic diffusion and Gaussian noise, controlled by dimensionless numbers (Peclet, Fourier). We implement this PDE numerically through a GPU-accelerated custom Lattice Boltzmann solver for fast evaluation. To induce realistic turbulence, we generate stochastic velocity fields that introduce coherent motion and capture multi-scale mixing. In the generative process, a neural network learns to reverse the advection-diffusion operator thus constituting a novel generative model. We discuss how previous methods emerge as specific cases of our operator, demonstrating that our framework generalizes prior PDE-based corruption techniques. We illustrate how advection improves the diversity and quality of the generated images while keeping the overall color palette unaffected. This work bridges fluid dynamics, dimensionless PDE theory, and deep generative modeling, offering a fresh perspective on physically informed image corruption processes for diffusion-based synthesis.
comment: 11 pages, 8 figures, pre-print, supplementary pseudocode in appendix
☆ AnyTraverse: An off-road traversability framework with VLM and human operator in the loop
Off-road traversability segmentation enables autonomous navigation with applications in search-and-rescue, military operations, wildlife exploration, and agriculture. Current frameworks struggle due to significant variations in unstructured environments and uncertain scene changes, and are not adaptive to be used for different robot types. We present AnyTraverse, a framework combining natural language-based prompts with human-operator assistance to determine navigable regions for diverse robotic vehicles. The system segments scenes for a given set of prompts and calls the operator only when encountering previously unexplored scenery or unknown class not part of the prompt in its region-of-interest, thus reducing active supervision load while adapting to varying outdoor scenes. Our zero-shot learning approach eliminates the need for extensive data collection or retraining. Our experimental validation includes testing on RELLIS-3D, Freiburg Forest, and RUGD datasets and demonstrate real-world deployment on multiple robot platforms. The results show that AnyTraverse performs better than GA-NAV and Off-seg while offering a vehicle-agnostic approach to off-road traversability that balances automation with targeted human supervision.
Self-supervised Feature Extraction for Enhanced Ball Detection on Soccer Robots
Robust and accurate ball detection is a critical component for autonomous humanoid soccer robots, particularly in dynamic and challenging environments such as RoboCup outdoor fields. However, traditional supervised approaches require extensive manual annotation, which is costly and time-intensive. To overcome this problem, we present a self-supervised learning framework for domain-adaptive feature extraction to enhance ball detection performance. The proposed approach leverages a general-purpose pretrained model to generate pseudo-labels, which are then used in a suite of self-supervised pretext tasks -- including colorization, edge detection, and triplet loss -- to learn robust visual features without relying on manual annotations. Additionally, a model-agnostic meta-learning (MAML) strategy is incorporated to ensure rapid adaptation to new deployment scenarios with minimal supervision. A new dataset comprising 10,000 labeled images from outdoor RoboCup SPL matches is introduced, used to validate the method, and made available to the community. Experimental results demonstrate that the proposed pipeline outperforms baseline models in terms of accuracy, F1 score, and IoU, while also exhibiting faster convergence.
☆ Loupe: A Generalizable and Adaptive Framework for Image Forgery Detection IJCAI 2025
The proliferation of generative models has raised serious concerns about visual content forgery. Existing deepfake detection methods primarily target either image-level classification or pixel-wise localization. While some achieve high accuracy, they often suffer from limited generalization across manipulation types or rely on complex architectures. In this paper, we propose Loupe, a lightweight yet effective framework for joint deepfake detection and localization. Loupe integrates a patch-aware classifier and a segmentation module with conditional queries, allowing simultaneous global authenticity classification and fine-grained mask prediction. To enhance robustness against distribution shifts of test set, Loupe introduces a pseudo-label-guided test-time adaptation mechanism by leveraging patch-level predictions to supervise the segmentation head. Extensive experiments on the DDL dataset demonstrate that Loupe achieves state-of-the-art performance, securing the first place in the IJCAI 2025 Deepfake Detection and Localization Challenge with an overall score of 0.846. Our results validate the effectiveness of the proposed patch-level fusion and conditional query design in improving both classification accuracy and spatial localization under diverse forgery patterns. The code is available at https://github.com/Kamichanw/Loupe.
comment: 6 pages, 2 figures, accepted by IJCAI 2025 workshop
☆ FOCUS: Unified Vision-Language Modeling for Interactive Editing Driven by Referential Segmentation
Recent Large Vision Language Models (LVLMs) demonstrate promising capabilities in unifying visual understanding and generative modeling, enabling both accurate content understanding and flexible editing. However, current approaches treat "what to see" and "how to edit" separately: they either perform isolated object segmentation or utilize segmentation masks merely as conditional prompts for local edit generation tasks, often relying on multiple disjointed models. To bridge these gaps, we introduce FOCUS, a unified LVLM that integrates segmentation-aware perception and controllable object-centric generation within an end-to-end framework. FOCUS employs a dual-branch visual encoder to simultaneously capture global semantic context and fine-grained spatial details. In addition, we leverage a MoVQGAN-based visual tokenizer to produce discrete visual tokens that enhance generation quality. To enable accurate and controllable image editing, we propose a progressive multi-stage training pipeline, where segmentation masks are jointly optimized and used as spatial condition prompts to guide the diffusion decoder. This strategy aligns visual encoding, segmentation, and generation modules, effectively bridging segmentation-aware perception with fine-grained visual synthesis. Extensive experiments across three core tasks, including multimodal understanding, referring segmentation accuracy, and controllable image generation, demonstrate that FOCUS achieves strong performance by jointly optimizing visual perception and generative capabilities.
☆ Co-VisiON: Co-Visibility ReasONing on Sparse Image Sets of Indoor Scenes
Humans exhibit a remarkable ability to recognize co-visibility-the overlapping regions visible in multiple images-even when these images are sparsely distributed across a complex scene. This capability is foundational in 3D vision and robotic perception. Despite significant progress in vision learning, it remains unclear whether current vision models have reached human-level proficiency in co-visibility analysis. In this work, we introduce the Co-Visibility reasONing (Co-VisiON) benchmark, designed to directly evaluate co-visibility reasoning on sparse image sets across over 1000 indoor scenarios. Our experiments reveal that while co-visibility is typically treated as a low-level feature matching task, it poses a significant challenge for existing vision models under sparse conditions. Notably, a proprietary vision-language model outperforms all purely vision-based approaches, with all models lagging substantially behind human performance. This gap underscores the need for more than basic pairwise vision processing-it calls for a comprehensive spatial understanding through high-level reasoning across multiple views. Inspired by human visual cognition, we propose a novel multi-view baseline, Covis, which achieves top performance among pure vision models and narrows the gap to the proprietary VLM. We hope our benchmark and findings will spur further advancements in developing vision models capable of robust, high-level reasoning in challenging, sparse environments. Our dataset and source code can be found at: https://ai4ce.github.io/CoVISION
☆ Temperature calibration of surface emissivities with an improved thermal image enhancement network
Infrared thermography faces persistent challenges in temperature accuracy due to material emissivity variations, where existing methods often neglect the joint optimization of radiometric calibration and image degradation. This study introduces a physically guided neural framework that unifies temperature correction and image enhancement through a symmetric skip-CNN architecture and an emissivity-aware attention module. The pre-processing stage segments the ROIs of the image and and initially corrected the firing rate. A novel dual-constrained loss function strengthens the statistical consistency between the target and reference regions through mean-variance alignment and histogram matching based on Kullback-Leibler dispersion. The method works by dynamically fusing thermal radiation features and spatial context, and the model suppresses emissivity artifacts while recovering structural details. After validating the industrial blower system under different conditions, the improved network realizes the dynamic fusion of thermal radiation characteristics and spatial background, with accurate calibration results in various industrial conditions.
☆ Seeing What Matters: Generalizable AI-generated Video Detection with Forensic-Oriented Augmentation
Synthetic video generation is progressing very rapidly. The latest models can produce very realistic high-resolution videos that are virtually indistinguishable from real ones. Although several video forensic detectors have been recently proposed, they often exhibit poor generalization, which limits their applicability in a real-world scenario. Our key insight to overcome this issue is to guide the detector towards seeing what really matters. In fact, a well-designed forensic classifier should focus on identifying intrinsic low-level artifacts introduced by a generative architecture rather than relying on high-level semantic flaws that characterize a specific model. In this work, first, we study different generative architectures, searching and identifying discriminative features that are unbiased, robust to impairments, and shared across models. Then, we introduce a novel forensic-oriented data augmentation strategy based on the wavelet decomposition and replace specific frequency-related bands to drive the model to exploit more relevant forensic cues. Our novel training paradigm improves the generalizability of AI-generated video detectors, without the need for complex algorithms and large datasets that include multiple synthetic generators. To evaluate our approach, we train the detector using data from a single generative model and test it against videos produced by a wide range of other models. Despite its simplicity, our method achieves a significant accuracy improvement over state-of-the-art detectors and obtains excellent results even on very recent generative models, such as NOVA and FLUX. Code and data will be made publicly available.
☆ RealSR-R1: Reinforcement Learning for Real-World Image Super-Resolution with Vision-Language Chain-of-Thought
Real-World Image Super-Resolution is one of the most challenging task in image restoration. However, existing methods struggle with an accurate understanding of degraded image content, leading to reconstructed results that are both low-fidelity and unnatural. We present RealSR-R1 in this work, which empowers the RealSR models with understanding and reasoning capabilities. Inspired by the success of Chain of Thought (CoT) in large language models (LLMs), we simulate the human process of handling degraded images and propose the VLCoT framework, which integrates vision and language reasoning. The framework aims to precisely restore image details by progressively generating more comprehensive text and higher-resolution images. To overcome the challenge of traditional supervised learning CoT failing to generalize to real-world scenarios, we introduce, for the first time, Group Relative Policy Optimization (GRPO) into the Real-World Image Super-Resolution task. We propose VLCoT-GRPO as a solution, which designs four reward functions: (1) Format reward, used to standardize the CoT process; (2) Degradation reward, to incentivize accurate degradation estimation; (3) Understanding reward, to ensure the accuracy of the generated content; and (4) Generation reward, where we propose using a visual expert model to evaluate the quality of generated images, encouraging the model to generate more realistic images. Extensive experiments demonstrate that our proposed RealSR-R1 can generate realistic details and accurately understand image content, particularly in semantically rich scenes or images with severe degradation.
☆ TextBraTS: Text-Guided Volumetric Brain Tumor Segmentation with Innovative Dataset Development and Fusion Module Exploration
Deep learning has demonstrated remarkable success in medical image segmentation and computer-aided diagnosis. In particular, numerous advanced methods have achieved state-of-the-art performance in brain tumor segmentation from MRI scans. While recent studies in other medical imaging domains have revealed that integrating textual reports with visual data can enhance segmentation accuracy, the field of brain tumor analysis lacks a comprehensive dataset that combines radiological images with corresponding textual annotations. This limitation has hindered the exploration of multimodal approaches that leverage both imaging and textual data. To bridge this critical gap, we introduce the TextBraTS dataset, the first publicly available volume-level multimodal dataset that contains paired MRI volumes and rich textual annotations, derived from the widely adopted BraTS2020 benchmark. Building upon this novel dataset, we propose a novel baseline framework and sequential cross-attention method for text-guided volumetric medical image segmentation. Through extensive experiments with various text-image fusion strategies and templated text formulations, our approach demonstrates significant improvements in brain tumor segmentation accuracy, offering valuable insights into effective multimodal integration techniques. Our dataset, implementation code, and pre-trained models are publicly available at https://github.com/Jupitern52/TextBraTS.
☆ PQCAD-DM: Progressive Quantization and Calibration-Assisted Distillation for Extremely Efficient Diffusion Model
Diffusion models excel in image generation but are computational and resource-intensive due to their reliance on iterative Markov chain processes, leading to error accumulation and limiting the effectiveness of naive compression techniques. In this paper, we propose PQCAD-DM, a novel hybrid compression framework combining Progressive Quantization (PQ) and Calibration-Assisted Distillation (CAD) to address these challenges. PQ employs a two-stage quantization with adaptive bit-width transitions guided by a momentum-based mechanism, reducing excessive weight perturbations in low-precision. CAD leverages full-precision calibration datasets during distillation, enabling the student to match full-precision performance even with a quantized teacher. As a result, PQCAD-DM achieves a balance between computational efficiency and generative quality, halving inference time while maintaining competitive performance. Extensive experiments validate PQCAD-DM's superior generative capabilities and efficiency across diverse datasets, outperforming fixed-bit quantization methods.
comment: 10 pages, 6 figures
☆ Infrared and Visible Image Fusion Based on Implicit Neural Representations
Infrared and visible light image fusion aims to combine the strengths of both modalities to generate images that are rich in information and fulfill visual or computational requirements. This paper proposes an image fusion method based on Implicit Neural Representations (INR), referred to as INRFuse. This method parameterizes a continuous function through a neural network to implicitly represent the multimodal information of the image, breaking through the traditional reliance on discrete pixels or explicit features. The normalized spatial coordinates of the infrared and visible light images serve as inputs, and multi-layer perceptrons is utilized to adaptively fuse the features of both modalities, resulting in the output of the fused image. By designing multiple loss functions, the method jointly optimizes the similarity between the fused image and the original images, effectively preserving the thermal radiation information of the infrared image while maintaining the texture details of the visible light image. Furthermore, the resolution-independent characteristic of INR allows for the direct fusion of images with varying resolutions and achieves super-resolution reconstruction through high-density coordinate queries. Experimental results indicate that INRFuse outperforms existing methods in both subjective visual quality and objective evaluation metrics, producing fused images with clear structures, natural details, and rich information without the necessity for a training dataset.
☆ Cross-Modal Obfuscation for Jailbreak Attacks on Large Vision-Language Models
Large Vision-Language Models (LVLMs) demonstrate exceptional performance across multimodal tasks, yet remain vulnerable to jailbreak attacks that bypass built-in safety mechanisms to elicit restricted content generation. Existing black-box jailbreak methods primarily rely on adversarial textual prompts or image perturbations, yet these approaches are highly detectable by standard content filtering systems and exhibit low query and computational efficiency. In this work, we present Cross-modal Adversarial Multimodal Obfuscation (CAMO), a novel black-box jailbreak attack framework that decomposes malicious prompts into semantically benign visual and textual fragments. By leveraging LVLMs' cross-modal reasoning abilities, CAMO covertly reconstructs harmful instructions through multi-step reasoning, evading conventional detection mechanisms. Our approach supports adjustable reasoning complexity and requires significantly fewer queries than prior attacks, enabling both stealth and efficiency. Comprehensive evaluations conducted on leading LVLMs validate CAMO's effectiveness, showcasing robust performance and strong cross-model transferability. These results underscore significant vulnerabilities in current built-in safety mechanisms, emphasizing an urgent need for advanced, alignment-aware security and safety solutions in vision-language systems.
comment: 15 pages, 9 figures
☆ Class Agnostic Instance-level Descriptor for Visual Instance Search
Despite the great success of the deep features in content-based image retrieval, the visual instance search remains challenging due to the lack of effective instance level feature representation. Supervised or weakly supervised object detection methods are not among the options due to their poor performance on the unknown object categories. In this paper, based on the feature set output from self-supervised ViT, the instance level region discovery is modeled as detecting the compact feature subsets in a hierarchical fashion. The hierarchical decomposition results in a hierarchy of feature subsets. The non-leaf nodes and leaf nodes on the hierarchy correspond to the various instance regions in an image of different semantic scales. The hierarchical decomposition well addresses the problem of object embedding and occlusions, which are widely observed in the real scenarios. The features derived from the nodes on the hierarchy make up a comprehensive representation for the latent instances in the image. Our instance-level descriptor remains effective on both the known and unknown object categories. Empirical studies on three instance search benchmarks show that it outperforms state-of-the-art methods considerably.
☆ Noise-Informed Diffusion-Generated Image Detection with Anomaly Attention
With the rapid development of image generation technologies, especially the advancement of Diffusion Models, the quality of synthesized images has significantly improved, raising concerns among researchers about information security. To mitigate the malicious abuse of diffusion models, diffusion-generated image detection has proven to be an effective countermeasure.However, a key challenge for forgery detection is generalising to diffusion models not seen during training. In this paper, we address this problem by focusing on image noise. We observe that images from different diffusion models share similar noise patterns, distinct from genuine images. Building upon this insight, we introduce a novel Noise-Aware Self-Attention (NASA) module that focuses on noise regions to capture anomalous patterns. To implement a SOTA detection model, we incorporate NASA into Swin Transformer, forming an novel detection architecture NASA-Swin. Additionally, we employ a cross-modality fusion embedding to combine RGB and noise images, along with a channel mask strategy to enhance feature learning from both modalities. Extensive experiments demonstrate the effectiveness of our approach in enhancing detection capabilities for diffusion-generated images. When encountering unseen generation methods, our approach achieves the state-of-the-art performance.Our code is available at https://github.com/WeinanGuan/NASA-Swin.
comment: Accepted by TIFS 2025. Our code is availabel at https://github.com/WeinanGuan/NASA-Swin
☆ Uncertainty-Aware Variational Information Pursuit for Interpretable Medical Image Analysis
In medical imaging, AI decision-support systems must balance accuracy and interpretability to build user trust and support effective clinical decision-making. Recently, Variational Information Pursuit (V-IP) and its variants have emerged as interpretable-by-design modeling techniques, aiming to explain AI decisions in terms of human-understandable, clinically relevant concepts. However, existing V-IP methods overlook instance-level uncertainties in query-answer generation, which can arise from model limitations (epistemic uncertainty) or variability in expert responses (aleatoric uncertainty). This paper introduces Uncertainty-Aware V-IP (UAV-IP), a novel framework that integrates uncertainty quantification into the V-IP process. We evaluate UAV-IP across four medical imaging datasets, PH2, Derm7pt, BrEaST, and SkinCon, demonstrating an average AUC improvement of approximately 3.2% while generating 20% more concise explanations compared to baseline V-IP, without sacrificing informativeness. These findings highlight the importance of uncertainty-aware reasoning in interpretable by design models for robust and reliable medical decision-making.
☆ Cross-modal Offset-guided Dynamic Alignment and Fusion for Weakly Aligned UAV Object Detection
Unmanned aerial vehicle (UAV) object detection plays a vital role in applications such as environmental monitoring and urban security. To improve robustness, recent studies have explored multimodal detection by fusing visible (RGB) and infrared (IR) imagery. However, due to UAV platform motion and asynchronous imaging, spatial misalignment frequently occurs between modalities, leading to weak alignment. This introduces two major challenges: semantic inconsistency at corresponding spatial locations and modality conflict during feature fusion. Existing methods often address these issues in isolation, limiting their effectiveness. In this paper, we propose Cross-modal Offset-guided Dynamic Alignment and Fusion (CoDAF), a unified framework that jointly tackles both challenges in weakly aligned UAV-based object detection. CoDAF comprises two novel modules: the Offset-guided Semantic Alignment (OSA), which estimates attention-based spatial offsets and uses deformable convolution guided by a shared semantic space to align features more precisely; and the Dynamic Attention-guided Fusion Module (DAFM), which adaptively balances modality contributions through gating and refines fused features via spatial-channel dual attention. By integrating alignment and fusion in a unified design, CoDAF enables robust UAV object detection. Experiments on standard benchmarks validate the effectiveness of our approach, with CoDAF achieving a mAP of 78.6% on the DroneVehicle dataset.
☆ 3DeepRep: 3D Deep Low-rank Tensor Representation for Hyperspectral Image Inpainting
Recent approaches based on transform-based tensor nuclear norm (TNN) have demonstrated notable effectiveness in hyperspectral image (HSI) inpainting by leveraging low-rank structures in latent representations. Recent developments incorporate deep transforms to improve low-rank tensor representation; however, existing approaches typically restrict the transform to the spectral mode, neglecting low-rank properties along other tensor modes. In this paper, we propose a novel 3-directional deep low-rank tensor representation (3DeepRep) model, which performs deep nonlinear transforms along all three modes of the HSI tensor. To enforce low-rankness, the model minimizes the nuclear norms of mode-i frontal slices in the corresponding latent space for each direction (i=1,2,3), forming a 3-directional TNN regularization. The outputs from the three directional branches are subsequently fused via a learnable aggregation module to produce the final result. An efficient gradient-based optimization algorithm is developed to solve the model in a self-supervised manner. Extensive experiments on real-world HSI datasets demonstrate that the proposed method achieves superior inpainting performance compared to existing state-of-the-art techniques, both qualitatively and quantitatively.
☆ A Prior-Guided Joint Diffusion Model in Projection Domain for PET Tracer Conversion
Positron emission tomography (PET) is widely used to assess metabolic activity, but its application is limited by the availability of radiotracers. 18F-labeled fluorodeoxyglucose (18F-FDG) is the most commonly used tracer but shows limited effectiveness for certain tumors. In contrast, 6-18F-fluoro-3,4-dihydroxy-L-phenylalanine (18F-DOPA) offers higher specificity for neuroendocrine tumors and neurological disorders. However, its complex synthesis and limitations in transportation and clinical use hinder widespread adoption. During PET imaging, the sinogram represents a form of raw data acquired by the scanner. Therefore, modeling in projection domain enables more direct utilization of the original information, potentially reducing the accumulation of errors introduced during the image reconstruction process. Inspired by these factors, this study proposes a prior-guided joint diffusion model (PJDM) for transforming 18F-FDG PET images into 18F-DOPA PET images in projection domain. Specifically, a coarse estimation model and a prior refinement model are trained independently. During inference, an initial synthetic 18F-DOPA PET sinogram is generated using a higher-order hybrid sampler. This sinogram is then degraded and serves as an additional condition to guide the iterative refinement process using learned prior. Experimental results demonstrated that PJDM effectively improved both sinogram quality and synthetic outcomes. The code is available at: https://github.com/yqx7150/PJDM.
☆ TeSG: Textual Semantic Guidance for Infrared and Visible Image Fusion
Infrared and visible image fusion (IVF) aims to combine complementary information from both image modalities, producing more informative and comprehensive outputs. Recently, text-guided IVF has shown great potential due to its flexibility and versatility. However, the effective integration and utilization of textual semantic information remains insufficiently studied. To tackle these challenges, we introduce textual semantics at two levels: the mask semantic level and the text semantic level, both derived from textual descriptions extracted by large Vision-Language Models (VLMs). Building on this, we propose Textual Semantic Guidance for infrared and visible image fusion, termed TeSG, which guides the image synthesis process in a way that is optimized for downstream tasks such as detection and segmentation. Specifically, TeSG consists of three core components: a Semantic Information Generator (SIG), a Mask-Guided Cross-Attention (MGCA) module, and a Text-Driven Attentional Fusion (TDAF) module. The SIG generates mask and text semantics based on textual descriptions. The MGCA module performs initial attention-based fusion of visual features from both infrared and visible images, guided by mask semantics. Finally, the TDAF module refines the fusion process with gated attention driven by text semantics. Extensive experiments demonstrate the competitiveness of our approach, particularly in terms of performance on downstream tasks, compared to existing state-of-the-art methods.
comment: 11 pages, 6 figures
☆ Few-Shot Generalized Category Discovery With Retrieval-Guided Decision Boundary Enhancement
While existing Generalized Category Discovery (GCD) models have achieved significant success, their performance with limited labeled samples and a small number of known categories remains largely unexplored. In this work, we introduce the task of Few-shot Generalized Category Discovery (FSGCD), aiming to achieve competitive performance in GCD tasks under conditions of known information scarcity. To tackle this challenge, we propose a decision boundary enhancement framework with affinity-based retrieval. Our framework is designed to learn the decision boundaries of known categories and transfer these boundaries to unknown categories. First, we use a decision boundary pre-training module to mitigate the overfitting of pre-trained information on known category boundaries and improve the learning of these decision boundaries using labeled samples. Second, we implement a two-stage retrieval-guided decision boundary optimization strategy. Specifically, this strategy further enhances the severely limited known boundaries by using affinity-retrieved pseudo-labeled samples. Then, these refined boundaries are applied to unknown clusters via guidance from affinity-based feature retrieval. Experimental results demonstrate that our proposed method outperforms existing methods on six public GCD benchmarks under the FSGCD setting. The codes are available at: https://github.com/Ryh1218/FSGCD
comment: Accepted by ICMR 2025
♻ ☆ BreastDCEDL: Curating a Comprehensive DCE-MRI Dataset and developing a Transformer Implementation for Breast Cancer Treatment Response Prediction
Breast cancer remains a leading cause of cancer-related mortality worldwide, making early detection and accurate treatment response monitoring critical priorities. We present BreastDCEDL, a curated, deep learning-ready dataset comprising pre-treatment 3D Dynamic Contrast-Enhanced MRI (DCE-MRI) scans from 2,070 breast cancer patients drawn from the I-SPY1, I-SPY2, and Duke cohorts, all sourced from The Cancer Imaging Archive. The raw DICOM imaging data were rigorously converted into standardized 3D NIfTI volumes with preserved signal integrity, accompanied by unified tumor annotations and harmonized clinical metadata including pathologic complete response (pCR), hormone receptor (HR), and HER2 status. Although DCE-MRI provides essential diagnostic information and deep learning offers tremendous potential for analyzing such complex data, progress has been limited by lack of accessible, public, multicenter datasets. BreastDCEDL addresses this gap by enabling development of advanced models, including state-of-the-art transformer architectures that require substantial training data. To demonstrate its capacity for robust modeling, we developed the first transformer-based model for breast DCE-MRI, leveraging Vision Transformer (ViT) architecture trained on RGB-fused images from three contrast phases (pre-contrast, early post-contrast, and late post-contrast). Our ViT model achieved state-of-the-art pCR prediction performance in HR+/HER2- patients (AUC 0.94, accuracy 0.93). BreastDCEDL includes predefined benchmark splits, offering a framework for reproducible research and enabling clinically meaningful modeling in breast cancer imaging.
♻ ☆ AerialVG: A Challenging Benchmark for Aerial Visual Grounding by Exploring Positional Relations
Visual grounding (VG) aims to localize target objects in an image based on natural language descriptions. In this paper, we propose AerialVG, a new task focusing on visual grounding from aerial views. Compared to traditional VG, AerialVG poses new challenges, \emph{e.g.}, appearance-based grounding is insufficient to distinguish among multiple visually similar objects, and positional relations should be emphasized. Besides, existing VG models struggle when applied to aerial imagery, where high-resolution images cause significant difficulties. To address these challenges, we introduce the first AerialVG dataset, consisting of 5K real-world aerial images, 50K manually annotated descriptions, and 103K objects. Particularly, each annotation in AerialVG dataset contains multiple target objects annotated with relative spatial relations, requiring models to perform comprehensive spatial reasoning. Furthermore, we propose an innovative model especially for the AerialVG task, where a Hierarchical Cross-Attention is devised to focus on target regions, and a Relation-Aware Grounding module is designed to infer positional relations. Experimental results validate the effectiveness of our dataset and method, highlighting the importance of spatial reasoning in aerial visual grounding. The code and dataset will be released.
comment: 8 pages, 6 figures
♻ ☆ Improving Surgical Risk Prediction Through Integrating Automated Body Composition Analysis: a Retrospective Trial on Colectomy Surgery
Objective: To evaluate whether preoperative body composition metrics automatically extracted from CT scans can predict postoperative outcomes after colectomy, either alone or combined with clinical variables or existing risk predictors. Main outcomes and measures: The primary outcome was the predictive performance for 1-year all-cause mortality following colectomy. A Cox proportional hazards model with 1-year follow-up was used, and performance was evaluated using the concordance index (C-index) and Integrated Brier Score (IBS). Secondary outcomes included postoperative complications, unplanned readmission, blood transfusion, and severe infection, assessed using AUC and Brier Score from logistic regression. Odds ratios (OR) described associations between individual CT-derived body composition metrics and outcomes. Over 300 features were extracted from preoperative CTs across multiple vertebral levels, including skeletal muscle area, density, fat areas, and inter-tissue metrics. NSQIP scores were available for all surgeries after 2012.
comment: 32 pages, 5 figures
♻ ☆ MSCA-Net:Multi-Scale Context Aggregation Network for Infrared Small Target Detection
In complex environments, detecting tiny infrared targets has always been challenging because of the low contrast and high noise levels inherent in infrared images. These factors often lead to the loss of crucial details during feature extraction. Moreover, existing detection methods have limitations in adequately integrating global and local information, which constrains the efficiency and accuracy of infrared small target detection. To address these challenges, this paper proposes a network architecture named MSCA-Net, which integrates three key components: Multi-Scale Enhanced Dilated Attention mechanism (MSEDA), Positional Convolutional Block Attention Module (PCBAM), and Channel Aggregation Feature Fusion Block (CAB). Specifically, MSEDA employs a multi-scale feature fusion attention mechanism to adaptively aggregate information across different scales, enriching feature representation. PCBAM captures the correlation between global and local features through a correlation matrix-based strategy, enabling deep feature interaction. Moreover, CAB enhances the representation of critical features by assigning greater weights to them, integrating both low-level and high-level information, and thereby improving the models detection performance in complex backgrounds. The experimental results demonstrate that MSCA-Net achieves strong small target detection performance in complex backgrounds. Specifically, it attains mIoU scores of 78.43%, 94.56%, and 67.08% on the NUAA-SIRST, NUDT-SIRST, and IRTSD-1K datasets, respectively, underscoring its effectiveness and strong potential for real-world applications.
♻ ☆ EmoAgent: A Multi-Agent Framework for Diverse Affective Image Manipulation
Affective Image Manipulation (AIM) aims to alter visual elements within an image to evoke specific emotional responses from viewers. However, existing AIM approaches rely on rigid \emph{one-to-one} mappings between emotions and visual cues, making them ill-suited for the inherently subjective and diverse ways in which humans perceive and express emotion.To address this, we introduce a novel task setting termed \emph{Diverse AIM (D-AIM)}, aiming to generate multiple visually distinct yet emotionally consistent image edits from a single source image and target emotion. We propose \emph{EmoAgent}, the first multi-agent framework tailored specifically for D-AIM. EmoAgent explicitly decomposes the manipulation process into three specialized phases executed by collaborative agents: a Planning Agent that generates diverse emotional editing strategies, an Editing Agent that precisely executes these strategies, and a Critic Agent that iteratively refines the results to ensure emotional accuracy. This collaborative design empowers EmoAgent to model \emph{one-to-many} emotion-to-visual mappings, enabling semantically diverse and emotionally faithful edits.Extensive quantitative and qualitative evaluations demonstrate that EmoAgent substantially outperforms state-of-the-art approaches in both emotional fidelity and semantic diversity, effectively generating multiple distinct visual edits that convey the same target emotion.
♻ ☆ One-Step Diffusion for Detail-Rich and Temporally Consistent Video Super-Resolution
It is a challenging problem to reproduce rich spatial details while maintaining temporal consistency in real-world video super-resolution (Real-VSR), especially when we leverage pre-trained generative models such as stable diffusion (SD) for realistic details synthesis. Existing SD-based Real-VSR methods often compromise spatial details for temporal coherence, resulting in suboptimal visual quality. We argue that the key lies in how to effectively extract the degradation-robust temporal consistency priors from the low-quality (LQ) input video and enhance the video details while maintaining the extracted consistency priors. To achieve this, we propose a Dual LoRA Learning (DLoRAL) paradigm to train an effective SD-based one-step diffusion model, achieving realistic frame details and temporal consistency simultaneously. Specifically, we introduce a Cross-Frame Retrieval (CFR) module to aggregate complementary information across frames, and train a Consistency-LoRA (C-LoRA) to learn robust temporal representations from degraded inputs. After consistency learning, we fix the CFR and C-LoRA modules and train a Detail-LoRA (D-LoRA) to enhance spatial details while aligning with the temporal space defined by C-LoRA to keep temporal coherence. The two phases alternate iteratively for optimization, collaboratively delivering consistent and detail-rich outputs. During inference, the two LoRA branches are merged into the SD model, allowing efficient and high-quality video restoration in a single diffusion step. Experiments show that DLoRAL achieves strong performance in both accuracy and speed. Code and models are available at https://github.com/yjsunnn/DLoRAL.
♻ ☆ Perceptual-GS: Scene-adaptive Perceptual Densification for Gaussian Splatting ICML
3D Gaussian Splatting (3DGS) has emerged as a powerful technique for novel view synthesis. However, existing methods struggle to adaptively optimize the distribution of Gaussian primitives based on scene characteristics, making it challenging to balance reconstruction quality and efficiency. Inspired by human perception, we propose scene-adaptive perceptual densification for Gaussian Splatting (Perceptual-GS), a novel framework that integrates perceptual sensitivity into the 3DGS training process to address this challenge. We first introduce a perception-aware representation that models human visual sensitivity while constraining the number of Gaussian primitives. Building on this foundation, we develop a perceptual sensitivity-adaptive distribution to allocate finer Gaussian granularity to visually critical regions, enhancing reconstruction quality and robustness. Extensive evaluations on multiple datasets, including BungeeNeRF for large-scale scenes, demonstrate that Perceptual-GS achieves state-of-the-art performance in reconstruction quality, efficiency, and robustness. The code is publicly available at: https://github.com/eezkni/Perceptual-GS
comment: Accepted to International Conference on Machine Learning (ICML) 2025
♻ ☆ Genesis: Multimodal Driving Scene Generation with Spatio-Temporal and Cross-Modal Consistency
We present Genesis, a unified framework for joint generation of multi-view driving videos and LiDAR sequences with spatio-temporal and cross-modal consistency. Genesis employs a two-stage architecture that integrates a DiT-based video diffusion model with 3D-VAE encoding, and a BEV-aware LiDAR generator with NeRF-based rendering and adaptive sampling. Both modalities are directly coupled through a shared latent space, enabling coherent evolution across visual and geometric domains. To guide the generation with structured semantics, we introduce DataCrafter, a captioning module built on vision-language models that provides scene-level and instance-level supervision. Extensive experiments on the nuScenes benchmark demonstrate that Genesis achieves state-of-the-art performance across video and LiDAR metrics (FVD 16.95, FID 4.24, Chamfer 0.611), and benefits downstream tasks including segmentation and 3D detection, validating the semantic fidelity and practical utility of the generated data.
♻ ☆ DeSPITE: Exploring Contrastive Deep Skeleton-Pointcloud-IMU-Text Embeddings for Advanced Point Cloud Human Activity Understanding ICCV 2025
Despite LiDAR (Light Detection and Ranging) being an effective privacy-preserving alternative to RGB cameras to perceive human activities, it remains largely underexplored in the context of multi-modal contrastive pre-training for human activity understanding (e.g., human activity recognition (HAR), retrieval, or person re-identification (RE-ID)). To close this gap, our work explores learning the correspondence between LiDAR point clouds, human skeleton poses, IMU data, and text in a joint embedding space. More specifically, we present DeSPITE, a Deep Skeleton-Pointcloud-IMU-Text Embedding model, which effectively learns a joint embedding space across these four modalities. At the heart of our empirical exploration, we have combined the existing LIPD and Babel datasets, which enabled us to synchronize data of all four modalities, allowing us to explore the learning of a new joint embedding space. Our experiments demonstrate novel human activity understanding tasks for point cloud sequences enabled through DeSPITE, including Skeleton<->Pointcloud<->IMU matching, retrieval, and temporal moment retrieval. Furthermore, we show that DeSPITE is an effective pre-training strategy for point cloud HAR through experiments in MSR-Action3D and HMPEAR.
comment: This work is currently under review at ICCV 2025
♻ ☆ Decoupled Classifier-Free Guidance for Counterfactual Diffusion Models
Counterfactual image generation aims to simulate realistic visual outcomes under specific causal interventions. Diffusion models have recently emerged as a powerful tool for this task, combining DDIM inversion with conditional generation via classifier-free guidance (CFG). However, standard CFG applies a single global weight across all conditioning variables, which can lead to poor identity preservation and spurious attribute changes - a phenomenon known as attribute amplification. To address this, we propose Decoupled Classifier-Free Guidance (DCFG), a flexible and model-agnostic framework that introduces group-wise conditioning control. DCFG builds on an attribute-split embedding strategy that disentangles semantic inputs, enabling selective guidance on user-defined attribute groups. For counterfactual generation, we partition attributes into intervened and invariant sets based on a causal graph and apply distinct guidance to each. Experiments on CelebA-HQ, MIMIC-CXR, and EMBED show that DCFG improves intervention fidelity, mitigates unintended changes, and enhances reversibility, enabling more faithful and interpretable counterfactual image generation.
♻ ☆ Learning Joint Denoising, Demosaicing, and Compression from the Raw Natural Image Noise Dataset
This paper introduces the Raw Natural Image Noise Dataset (RawNIND), a diverse collection of paired raw images designed to support the development of denoising models that generalize across sensors, image development workflows, and styles. Two denoising methods are proposed: one operates directly on raw Bayer data, leveraging computational efficiency, while the other processes linear RGB images for improved generalization to different sensors, with both preserving flexibility for subsequent development. Both methods outperform traditional approaches which rely on developed images. Additionally, the integration of denoising and compression at the raw data level significantly enhances rate-distortion performance and computational efficiency. These findings suggest a paradigm shift toward raw data workflows for efficient and flexible image processing.
♻ ☆ Efficient Online Inference of Vision Transformers by Training-Free Tokenization
The cost of deploying vision transformers increasingly represents a barrier to wider industrial adoption. Existing compression techniques require additional end-to-end fine-tuning or incur a significant drawback to runtime, making them ill-suited for online (real-time) inference, where a prediction is made on any new input as it comes in. We introduce the $\textbf{Visual Word Tokenizer}$ (VWT), a training-free method for reducing energy costs while retaining performance and runtime. The VWT groups visual subwords (image patches) that are frequently used into visual words while infrequent ones remain intact. To do so, $\textit{intra}$-image or $\textit{inter}$-image statistics are leveraged to identify similar visual concepts for sequence compression. Experimentally, we demonstrate a reduction in wattage of up to 25% with only a 20% increase in runtime at most. Comparative approaches of 8-bit quantization and token merging achieve a lower or similar energy efficiency but exact a higher toll on runtime (up to 100% or more). Our results indicate that VWTs are well-suited for efficient online inference with a marginal compromise on performance.
♻ ☆ SHAKTI: A 2.5 Billion Parameter Small Language Model Optimized for Edge AI and Low-Resource Environments
We introduce Shakti, a 2.5 billion parameter language model specifically optimized for resource-constrained environments such as edge devices, including smartphones, wearables, and IoT systems. Shakti combines high-performance NLP with optimized efficiency and precision, making it ideal for real-time AI applications where computational resources and memory are limited. With support for vernacular languages and domain-specific tasks, Shakti excels in industries such as healthcare, finance, and customer service. Benchmark evaluations demonstrate that Shakti performs competitively against larger models while maintaining low latency and on-device efficiency, positioning it as a leading solution for edge AI.
comment: Paper in pdf format is 11 pages and contains 4 tables
♻ ☆ SR3D: Unleashing Single-view 3D Reconstruction for Transparent and Specular Object Grasping
Recent advancements in 3D robotic manipulation have improved grasping of everyday objects, but transparent and specular materials remain challenging due to depth sensing limitations. While several 3D reconstruction and depth completion approaches address these challenges, they suffer from setup complexity or limited observation information utilization. To address this, leveraging the power of single view 3D object reconstruction approaches, we propose a training free framework SR3D that enables robotic grasping of transparent and specular objects from a single view observation. Specifically, given single view RGB and depth images, SR3D first uses the external visual models to generate 3D reconstructed object mesh based on RGB image. Then, the key idea is to determine the 3D object's pose and scale to accurately localize the reconstructed object back into its original depth corrupted 3D scene. Therefore, we propose view matching and keypoint matching mechanisms,which leverage both the 2D and 3D's inherent semantic and geometric information in the observation to determine the object's 3D state within the scene, thereby reconstructing an accurate 3D depth map for effective grasp detection. Experiments in both simulation and real world show the reconstruction effectiveness of SR3D.
♻ ☆ Collaborative Perception Datasets for Autonomous Driving: A Review
Collaborative perception has attracted growing interest from academia and industry due to its potential to enhance perception accuracy, safety, and robustness in autonomous driving through multi-agent information fusion. With the advancement of Vehicle-to-Everything (V2X) communication, numerous collaborative perception datasets have emerged, varying in cooperation paradigms, sensor configurations, data sources, and application scenarios. However, the absence of systematic summarization and comparative analysis hinders effective resource utilization and standardization of model evaluation. As the first comprehensive review focused on collaborative perception datasets, this work reviews and compares existing resources from a multi-dimensional perspective. We categorize datasets based on cooperation paradigms, examine their data sources and scenarios, and analyze sensor modalities and supported tasks. A detailed comparative analysis is conducted across multiple dimensions. We also outline key challenges and future directions, including dataset scalability, diversity, domain adaptation, standardization, privacy, and the integration of large language models. To support ongoing research, we provide a continuously updated online repository of collaborative perception datasets and related literature: https://github.com/frankwnb/Collaborative-Perception-Datasets-for-Autonomous-Driving.
comment: 18pages, 7figures, journal
♻ ☆ Real-time Free-view Human Rendering from Sparse-view RGB Videos using Double Unprojected Textures CVPR 2025
Real-time free-view human rendering from sparse-view RGB inputs is a challenging task due to the sensor scarcity and the tight time budget. To ensure efficiency, recent methods leverage 2D CNNs operating in texture space to learn rendering primitives. However, they either jointly learn geometry and appearance, or completely ignore sparse image information for geometry estimation, significantly harming visual quality and robustness to unseen body poses. To address these issues, we present Double Unprojected Textures, which at the core disentangles coarse geometric deformation estimation from appearance synthesis, enabling robust and photorealistic 4K rendering in real-time. Specifically, we first introduce a novel image-conditioned template deformation network, which estimates the coarse deformation of the human template from a first unprojected texture. This updated geometry is then used to apply a second and more accurate texture unprojection. The resulting texture map has fewer artifacts and better alignment with input views, which benefits our learning of finer-level geometry and appearance represented by Gaussian splats. We validate the effectiveness and efficiency of the proposed method in quantitative and qualitative experiments, which significantly surpasses other state-of-the-art methods. Project page: https://vcai.mpi-inf.mpg.de/projects/DUT/
comment: Accepted at CVPR 2025, Project page: https://vcai.mpi-inf.mpg.de/projects/DUT/
♻ ☆ Deep Learning based Visually Rich Document Content Understanding: A Survey
Visually Rich Documents (VRDs) play a vital role in domains such as academia, finance, healthcare, and marketing, as they convey information through a combination of text, layout, and visual elements. Traditional approaches to extracting information from VRDs rely heavily on expert knowledge and manual annotation, making them labor-intensive and inefficient. Recent advances in deep learning have transformed this landscape by enabling multimodal models that integrate vision, language, and layout features through pretraining, significantly improving information extraction performance. This survey presents a comprehensive overview of deep learning-based frameworks for VRD Content Understanding (VRD-CU). We categorize existing methods based on their modeling strategies and downstream tasks, and provide a comparative analysis of key components, including feature representation, fusion techniques, model architectures, and pretraining objectives. Additionally, we highlight the strengths and limitations of each approach and discuss their suitability for different applications. The paper concludes with a discussion of current challenges and emerging trends, offering guidance for future research and practical deployment in real-world scenarios.
comment: Work in Progress
♻ ☆ Generalized Category Discovery under the Long-Tailed Distribution
This paper addresses the problem of Generalized Category Discovery (GCD) under a long-tailed distribution, which involves discovering novel categories in an unlabelled dataset using knowledge from a set of labelled categories. Existing works assume a uniform distribution for both datasets, but real-world data often exhibits a long-tailed distribution, where a few categories contain most examples, while others have only a few. While the long-tailed distribution is well-studied in supervised and semi-supervised settings, it remains unexplored in the GCD context. We identify two challenges in this setting - balancing classifier learning and estimating category numbers - and propose a framework based on confident sample selection and density-based clustering to tackle them. Our experiments on both long-tailed and conventional GCD datasets demonstrate the effectiveness of our method.
♻ ☆ GenLit: Reformulating Single-Image Relighting as Video Generation
Manipulating the illumination of a 3D scene within a single image represents a fundamental challenge in computer vision and graphics. This problem has traditionally been addressed using inverse rendering techniques, which involve explicit 3D asset reconstruction and costly ray-tracing simulations. Meanwhile, recent advancements in visual foundation models suggest that a new paradigm could soon be possible -- one that replaces explicit physical models with networks that are trained on large amounts of image and video data. In this paper, we exploit the physical world understanding of a video diffusion model, particularly Stable Video Diffusion, to relight a single image. We introduce GenLit, a framework that distills the ability of a graphics engine to perform light manipulation into a video-generation model, enabling users to directly insert and manipulate a point light in the 3D world within a given image, and generate results directly as a video sequence. We find that a model fine-tuned on only a small synthetic dataset generalizes to real-world scenes, enabling single-image relighting with plausible and convincing shadows. Our results highlight the ability of video foundation models to capture rich information about lighting, material, and, shape and our findings indicate that such models, with minimal training, can be used to perform relighting without explicit asset reconstruction or complex ray tracing. Project page: https://genlit.is.tue.mpg.de/.
♻ ☆ Training Multi-Layer Binary Neural Networks With Local Binary Error Signals
Binary Neural Networks (BNNs) significantly reduce computational complexity and memory usage in machine and deep learning by representing weights and activations with just one bit. However, most existing training algorithms for BNNs rely on quantization-aware floating-point Stochastic Gradient Descent (SGD), limiting the full exploitation of binary operations to the inference phase only. In this work, we propose, for the first time, a fully binary and gradient-free training algorithm for multi-layer BNNs, eliminating the need for back-propagated floating-point gradients. Specifically, the proposed algorithm relies on local binary error signals and binary weight updates, employing integer-valued hidden weights that serve as a synaptic metaplasticity mechanism, thereby enhancing its neurobiological plausibility. Our proposed solution enables the training of binary multi-layer perceptrons by using exclusively XNOR, Popcount, and increment/decrement operations. Experimental results on multi-class classification benchmarks show test accuracy improvements of up to +35.47% over the only existing fully binary single-layer state-of-the-art solution. Compared to full-precision SGD, our solution improves test accuracy by up to +35.30% under the same total memory demand, while also reducing computational cost by two to three orders of magnitude in terms of the total number of Boolean gates. The proposed algorithm is made available to the scientific community as a public repository.
♻ ☆ ICC: Quantifying Image Caption Concreteness for Multimodal Dataset Curation ACL 2024
Web-scale training on paired text-image data is becoming increasingly central to multimodal learning, but is challenged by the highly noisy nature of datasets in the wild. Standard data filtering approaches succeed in removing mismatched text-image pairs, but permit semantically related but highly abstract or subjective text. These approaches lack the fine-grained ability to isolate the most concrete samples that provide the strongest signal for learning in a noisy dataset. In this work, we propose a new metric, image caption concreteness, that evaluates caption text without an image reference to measure its concreteness and relevancy for use in multimodal learning. Our approach leverages strong foundation models for measuring visual-semantic information loss in multimodal representations. We demonstrate that this strongly correlates with human evaluation of concreteness in both single-word and sentence-level texts. Moreover, we show that curation using ICC complements existing approaches: It succeeds in selecting the highest quality samples from multimodal web-scale datasets to allow for efficient training in resource-constrained settings.
comment: Accepted to ACL 2024 (Finding). For Project webpage, see https://moranyanuka.github.io/icc/
♻ ☆ 360VOTS: Visual Object Tracking and Segmentation in Omnidirectional Videos
Visual object tracking and segmentation in omnidirectional videos are challenging due to the wide field-of-view and large spherical distortion brought by 360{\deg} images. To alleviate these problems, we introduce a novel representation, extended bounding field-of-view (eBFoV), for target localization and use it as the foundation of a general 360 tracking framework which is applicable for both omnidirectional visual object tracking and segmentation tasks. Building upon our previous work on omnidirectional visual object tracking (360VOT), we propose a comprehensive dataset and benchmark that incorporates a new component called omnidirectional video object segmentation (360VOS). The 360VOS dataset includes 290 sequences accompanied by dense pixel-wise masks and covers a broader range of target categories. To support both the development and evaluation of algorithms in this domain, we divide the dataset into a training subset with 170 sequences and a testing subset with 120 sequences. Furthermore, we tailor evaluation metrics for both omnidirectional tracking and segmentation to ensure rigorous assessment. Through extensive experiments, we benchmark state-of-the-art approaches and demonstrate the effectiveness of our proposed 360 tracking framework and training dataset. Homepage: https://360vots.hkustvgd.com/
comment: arXiv admin note: substantial text overlap with arXiv:2307.14630
♻ ☆ Sekai: A Video Dataset towards World Exploration
Video generation techniques have made remarkable progress, promising to be the foundation of interactive world exploration. However, existing video generation datasets are not well-suited for world exploration training as they suffer from some limitations: limited locations, short duration, static scenes, and a lack of annotations about exploration and the world. In this paper, we introduce Sekai (meaning ``world'' in Japanese), a high-quality first-person view worldwide video dataset with rich annotations for world exploration. It consists of over 5,000 hours of walking or drone view (FPV and UVA) videos from over 100 countries and regions across 750 cities. We develop an efficient and effective toolbox to collect, pre-process and annotate videos with location, scene, weather, crowd density, captions, and camera trajectories. Experiments demonstrate the quality of the dataset. And, we use a subset to train an interactive video world exploration model, named YUME (meaning ``dream'' in Japanese). We believe Sekai will benefit the area of video generation and world exploration, and motivate valuable applications. The project page is https://lixsp11.github.io/sekai-project/.
comment: 12 pages, 6 figures
♻ ☆ Bridging Domain Gaps in Agricultural Image Analysis: A Comprehensive Review From Shallow Adaptation to Deep Learning
With the growing application of computer vision in agriculture, image analysis has become essential for tasks such as crop health monitoring and pest detection. However, significant domain shifts caused by environmental variations, different crop types, and diverse data acquisition methods hinder model generalization across regions, seasons, and complex agricultural settings. This paper investigates how Domain Adaptation (DA) techniques can address these challenges by improving cross-domain transferability in agricultural image analysis. Given the limited availability of labeled data, weak model adaptability, and dynamic field conditions, DA has emerged as a promising solution. The review systematically summarizes recent advances in DA for agricultural imagery, focusing on applications such as crop health monitoring, pest detection, and fruit recognition, where DA methods have enhanced performance across diverse domains. DA approaches are categorized into shallow and deep learning methods, including supervised, semi-supervised, and unsupervised strategies, with particular attention to adversarial learning-based techniques that have demonstrated strong potential in complex scenarios. In addition, the paper reviews key public agricultural image datasets, evaluating their strengths and limitations in DA research. Overall, this work offers a comprehensive framework and critical insights to guide future research and development of domain adaptation in agricultural vision tasks.
More Thinking, Less Seeing? Assessing Amplified Hallucination in Multimodal Reasoning Models
Test-time compute has empowered multimodal large language models to generate extended reasoning chains, yielding strong performance on tasks such as multimodal math reasoning. However, this improved reasoning ability often comes with increased hallucination: as generations become longer, models tend to drift away from image-grounded content and rely more heavily on language priors. Attention analysis shows that longer reasoning chains lead to reduced focus on visual inputs, which contributes to hallucination. To systematically study this phenomenon, we introduce RH-AUC, a metric that quantifies how a model's perception accuracy changes with reasoning length, allowing us to evaluate whether the model preserves visual grounding during reasoning. We also release RH-Bench, a diagnostic benchmark that spans a variety of multimodal tasks, designed to assess the trade-off between reasoning ability and hallucination. Our analysis reveals that (i) larger models typically achieve a better balance between reasoning and perception, and (ii) this balance is influenced more by the types and domains of training data than by its overall volume. These findings underscore the importance of evaluation frameworks that jointly consider both reasoning quality and perceptual fidelity.
♻ ☆ Show-o2: Improved Native Unified Multimodal Models
This paper presents improved native unified multimodal models, \emph{i.e.,} Show-o2, that leverage autoregressive modeling and flow matching. Built upon a 3D causal variational autoencoder space, unified visual representations are constructed through a dual-path of spatial (-temporal) fusion, enabling scalability across image and video modalities while ensuring effective multimodal understanding and generation. Based on a language model, autoregressive modeling and flow matching are natively applied to the language head and flow head, respectively, to facilitate text token prediction and image/video generation. A two-stage training recipe is designed to effectively learn and scale to larger models. The resulting Show-o2 models demonstrate versatility in handling a wide range of multimodal understanding and generation tasks across diverse modalities, including text, images, and videos. Code and models are released at https://github.com/showlab/Show-o.
comment: Technical report. (v2: update references and tables)
♻ ☆ When and How Does CLIP Enable Domain and Compositional Generalization? ICML 2025
The remarkable generalization performance of contrastive vision-language models like CLIP is often attributed to the diversity of their training distributions. However, key questions remain unanswered: Can CLIP generalize to an entirely unseen domain when trained on a diverse mixture of domains (domain generalization)? Can it generalize to unseen classes within partially seen domains (compositional generalization)? What factors affect such generalization? To answer these questions, we trained CLIP models on systematically constructed training distributions with controlled domain diversity and object class exposure. Our experiments show that domain diversity is essential for both domain and compositional generalization, yet compositional generalization can be surprisingly weaker than domain generalization when the training distribution contains a suboptimal subset of the test domain. Through data-centric and mechanistic analyses, we find that successful generalization requires the learning of sufficiently shared representations in intermediate layers and circuits.
comment: ICML 2025 (Spotlight)
♻ ☆ Cost-effective Instruction Learning for Pathology Vision and Language Analysis
The advent of vision-language models fosters the interactive conversations between AI-enabled models and humans. Yet applying these models into clinics must deal with daunting challenges around large-scale training data, financial, and computational resources. Here we propose a cost-effective instruction learning framework for conversational pathology named as CLOVER. CLOVER only trains a lightweight module and uses instruction tuning while freezing the parameters of the large language model. Instead of using costly GPT-4, we propose well-designed prompts on GPT-3.5 for building generation-based instructions, emphasizing the utility of pathological knowledge derived from the Internet source. To augment the use of instructions, we construct a high-quality set of template-based instructions in the context of digital pathology. From two benchmark datasets, our findings reveal the strength of hybrid-form instructions in the visual question-answer in pathology. Extensive results show the cost-effectiveness of CLOVER in answering both open-ended and closed-ended questions, where CLOVER outperforms strong baselines that possess 37 times more training parameters and use instruction data generated from GPT-4. Through the instruction tuning, CLOVER exhibits robustness of few-shot learning in the external clinical dataset. These findings demonstrate that cost-effective modeling of CLOVER could accelerate the adoption of rapid conversational applications in the landscape of digital pathology.
♻ ☆ Memory-enhanced Retrieval Augmentation for Long Video Understanding
Efficient long-video understanding~(LVU) remains a challenging task in computer vision. Current long-context vision-language models~(LVLMs) suffer from information loss due to compression and brute-force downsampling. While retrieval-augmented generation (RAG) methods mitigate this issue, their applicability is limited due to explicit query dependency. To overcome this challenge, we introduce a novel memory-enhanced RAG-based approach called MemVid, which is inspired by the cognitive memory of human beings. Our approach operates in four basic steps: 1) memorizing holistic video information, 2) reasoning about the task's information needs based on memory, 3) retrieving critical moments based on the information needs, and 4) focusing on the retrieved moments to produce the final answer. To enhance the system's memory-grounded reasoning capabilities while achieving optimal end-to-end performance, we propose a curriculum learning strategy. This approach begins with supervised learning on well-annotated reasoning results, then progressively explores and reinforces more plausible reasoning outcomes through reinforcement learning. We perform extensive evaluations on popular LVU benchmarks, including MLVU, VideoMME and LVBench. In our experiments, MemVid demonstrates superior efficiency and effectiveness compared to both LVLMs and RAG methods.
♻ ☆ IQE-CLIP: Instance-aware Query Embedding for Zero-/Few-shot Anomaly Detection in Medical Domain
Recently, the rapid advancements of vision-language models, such as CLIP, leads to significant progress in zero-/few-shot anomaly detection (ZFSAD) tasks. However, most existing CLIP-based ZFSAD methods commonly assume prior knowledge of categories and rely on carefully crafted prompts tailored to specific scenarios. While such meticulously designed text prompts effectively capture semantic information in the textual space, they fall short of distinguishing normal and anomalous instances within the joint embedding space. Moreover, these ZFSAD methods are predominantly explored in industrial scenarios, with few efforts conducted to medical tasks. To this end, we propose an innovative framework for ZFSAD tasks in medical domain, denoted as IQE-CLIP. We reveal that query embeddings, which incorporate both textual and instance-aware visual information, are better indicators for abnormalities. Specifically, we first introduce class-based prompting tokens and learnable prompting tokens for better adaptation of CLIP to the medical domain. Then, we design an instance-aware query module (IQM) to extract region-level contextual information from both text prompts and visual features, enabling the generation of query embeddings that are more sensitive to anomalies. Extensive experiments conducted on six medical datasets demonstrate that IQE-CLIP achieves state-of-the-art performance on both zero-shot and few-shot tasks. We release our code and data at https://github.com/hongh0/IQE-CLIP/.
♻ ☆ A CLIP-Powered Framework for Robust and Generalizable Data Selection ICLR 2025
Large-scale datasets have been pivotal to the advancements of deep learning models in recent years, but training on such large datasets invariably incurs substantial storage and computational overhead. Meanwhile, real-world datasets often contain redundant and noisy data, imposing a negative impact on training efficiency and model performance. Data selection has shown promise in identifying the most representative samples from the entire dataset, which aims to minimize the performance gap with reduced training costs. Existing works typically rely on single-modality information to assign importance scores for individual samples, which may lead to inaccurate assessments, especially when dealing with noisy or corrupted samples. To address this limitation, we propose a novel CLIP-powered data selection framework that leverages multimodal information for more robust and generalizable sample selection. Specifically, our framework consists of three key modules-dataset adaptation, sample scoring, and selection optimization-that together harness extensive pre-trained multimodal knowledge to comprehensively assess sample influence and optimize the selection results through multi-objective optimization. Extensive experiments demonstrate that our approach consistently outperforms existing state-of-the-art baselines on various benchmark datasets. Notably, our method effectively removes noisy or damaged samples from the dataset, enabling it to achieve even higher performance with less data. This indicates that it is not only a way to accelerate training but can also improve overall data quality.
comment: ICLR 2025 Spotlight
♻ ☆ Efficient Depth-Guided Urban View Synthesis
Recent advances in implicit scene representation enable high-fidelity street view novel view synthesis. However, existing methods optimize a neural radiance field for each scene, relying heavily on dense training images and extensive computation resources. To mitigate this shortcoming, we introduce a new method called Efficient Depth-Guided Urban View Synthesis (EDUS) for fast feed-forward inference and efficient per-scene fine-tuning. Different from prior generalizable methods that infer geometry based on feature matching, EDUS leverages noisy predicted geometric priors as guidance to enable generalizable urban view synthesis from sparse input images. The geometric priors allow us to apply our generalizable model directly in the 3D space, gaining robustness across various sparsity levels. Through comprehensive experiments on the KITTI-360 and Waymo datasets, we demonstrate promising generalization abilities on novel street scenes. Moreover, our results indicate that EDUS achieves state-of-the-art performance in sparse view settings when combined with fast test-time optimization.
comment: ECCV2024, Project page: https://xdimlab.github.io/EDUS/
♻ ☆ Medical Artificial Intelligence for Early Detection of Lung Cancer: A Survey
Lung cancer remains one of the leading causes of morbidity and mortality worldwide, making early diagnosis critical for improving therapeutic outcomes and patient prognosis. Computer-aided diagnosis systems, which analyze computed tomography images, have proven effective in detecting and classifying pulmonary nodules, significantly enhancing the detection rate of early-stage lung cancer. Although traditional machine learning algorithms have been valuable, they exhibit limitations in handling complex sample data. The recent emergence of deep learning has revolutionized medical image analysis, driving substantial advancements in this field. This review focuses on recent progress in deep learning for pulmonary nodule detection, segmentation, and classification. Traditional machine learning methods, such as support vector machines and k-nearest neighbors, have shown limitations, paving the way for advanced approaches like Convolutional Neural Networks, Recurrent Neural Networks, and Generative Adversarial Networks. The integration of ensemble models and novel techniques is also discussed, emphasizing the latest developments in lung cancer diagnosis. Deep learning algorithms, combined with various analytical techniques, have markedly improved the accuracy and efficiency of pulmonary nodule analysis, surpassing traditional methods, particularly in nodule classification. Although challenges remain, continuous technological advancements are expected to further strengthen the role of deep learning in medical diagnostics, especially for early lung cancer detection and diagnosis. A comprehensive list of lung cancer detection models reviewed in this work is available at https://github.com/CaiGuoHui123/Awesome-Lung-Cancer-Detection.
comment: Accepted to Engineering Applications of Artificial Intelligence
♻ ☆ Label-guided Facial Retouching Reversion
With the popularity of social media platforms and retouching tools, more people are beautifying their facial photos, posing challenges for fields requiring photo authenticity. To address this issue, some work has proposed makeup removal methods, but they cannot revert images involving geometric deformations caused by retouching. To tackle the problem of facial retouching reversion, we propose a framework, dubbed Re-Face, which consists of three components: a facial retouching detector, an image reversion model named FaceR, and a color correction module called Hierarchical Adaptive Instance Normalization (H-AdaIN). FaceR can utilize labels generated by the facial retouching detector as guidance to revert the retouched facial images. Then, color correction is performed using H-AdaIN to address the issue of color shift. Extensive experiments demonstrate the effectiveness of our framework and each module.
comment: ICME2025 Oral
♻ ☆ Privacy-Preserving Chest X-ray Classification in Latent Space with Homomorphically Encrypted Neural Inference
Medical imaging data contain sensitive patient information requiring strong privacy protection. Many analytical setups require data to be sent to a server for inference purposes. Homomorphic encryption (HE) provides a solution by allowing computations to be performed on encrypted data without revealing the original information. However, HE inference is computationally expensive, particularly for large images (e.g., chest X-rays). In this study, we propose an HE inference framework for medical images that uses VQGAN to compress images into latent representations, thereby significantly reducing the computational burden while preserving image quality. We approximate the activation functions with lower-degree polynomials to balance the accuracy and efficiency in compliance with HE requirements. We observed that a downsampling factor of eight for compression achieved an optimal balance between performance and computational cost. We further adapted the squeeze and excitation module, which is known to improve traditional CNNs, to enhance the HE framework. Our method was tested on two chest X-ray datasets for multi-label classification tasks using vanilla CNN backbones. Although HE inference remains relatively slow and introduces minor performance differences compared with unencrypted inference, our approach shows strong potential for practical use in medical images
comment: 11 pages, 5 figures
♻ ☆ DopQ-ViT: Towards Distribution-Friendly and Outlier-Aware Post-Training Quantization for Vision Transformers
Vision Transformers (ViTs) have gained significant attention, but their high computing cost limits the practical applications. While post-training quantization (PTQ) reduces model size and speeds up inference, it often degrades performance, especially in low-bit settings. We identify two key reasons for the performance degradation: 1) existing quantization methods fail to align with the power-law distribution of post-Softmax activations, and 2) reparameterizing post-LayerNorm activations leads to a performance drop due to the significant influence of outliers in the scaling factors. To address these challenges, we propose DopQ-ViT, a Distribution-friendly and Outlier-aware Post-training Quantization method for ViTs. First, DopQ-ViT introduces the Tan Quantizer (TanQ), which better preserves the power-law distribution of post-Softmax activations by focusing more on values near 1. Second, DopQ-ViT presents the MAD-guided Optimal Scaling Factor (MOSF), which selects the optimal scaling factor without introducing additional calculations. Extensive experiments across various ViT models and quantization settings demonstrate that DopQ-ViT, with the help of TanQ and MOSF, outperforms previous PTQ methods on both classification and detection tasks.
♻ ☆ MaPPER: Multimodal Prior-guided Parameter Efficient Tuning for Referring Expression Comprehension EMNLP 2024
Referring Expression Comprehension (REC), which aims to ground a local visual region via natural language, is a task that heavily relies on multimodal alignment. Most existing methods utilize powerful pre-trained models to transfer visual/linguistic knowledge by full fine-tuning. However, full fine-tuning the entire backbone not only breaks the rich prior knowledge embedded in the pre-training, but also incurs significant computational costs. Motivated by the recent emergence of Parameter-Efficient Transfer Learning (PETL) methods, we aim to solve the REC task in an effective and efficient manner. Directly applying these PETL methods to the REC task is inappropriate, as they lack the specific-domain abilities for precise local visual perception and visual-language alignment. Therefore, we propose a novel framework of Multimodal Prior-guided Parameter Efficient Tuning, namely MaPPER. Specifically, MaPPER comprises Dynamic Prior Adapters guided by an aligned prior, and Local Convolution Adapters to extract precise local semantics for better visual perception. Moreover, the Prior-Guided Text module is proposed to further utilize the prior for facilitating the cross-modal alignment. Experimental results on three widely-used benchmarks demonstrate that MaPPER achieves the best accuracy compared to the full fine-tuning and other PETL methods with only 1.41% tunable backbone parameters. Our code is available at https://github.com/liuting20/MaPPER.
comment: EMNLP 2024 main
Machine Learning 138
☆ No Free Lunch: Rethinking Internal Feedback for LLM Reasoning
Reinforcement learning has emerged as a powerful paradigm for post-training large language models (LLMs) to improve reasoning. Approaches like Reinforcement Learning from Human Feedback (RLHF) and Reinforcement Learning with Verifiable Rewards (RLVR) have shown strong results, but they require extensive external supervision. We investigate an alternative class of methods, Reinforcement Learning from Internal Feedback (RLIF), which relies solely on intrinsic model-derived signals instead of external rewards. In particular, we leverage unsupervised reward proxies such as token-level entropy, trajectory-level entropy, and self-certainty. Our theoretical analysis shows these internal objectives are partially equivalent, and we empirically evaluate various RLIF strategies on challenging math reasoning benchmarks. Experimental results demonstrate that RLIF can boost the reasoning performance of base LLMs at the beginning phase of the training, matching or surpassing RLVR techniques on these tasks. However, when training progresses, performance degrades even below the model before training. Moreover, we find that RLIF yields little improvement for instruction-tuned models, indicating diminishing returns of intrinsic feedback once an LLM is already instruction-tuned. We further analyze this limitation by mixing model weights and explain the reason of RLIF's training behaviors, providing practical guidelines for integrating internal feedback signals into LLM training. We hope our analysis of internal feedback will inform more principled and effective strategies for LLM post-training.
☆ Part$^{2}$GS: Part-aware Modeling of Articulated Objects using 3D Gaussian Splatting
Articulated objects are common in the real world, yet modeling their structure and motion remains a challenging task for 3D reconstruction methods. In this work, we introduce Part$^{2}$GS, a novel framework for modeling articulated digital twins of multi-part objects with high-fidelity geometry and physically consistent articulation. Part$^{2}$GS leverages a part-aware 3D Gaussian representation that encodes articulated components with learnable attributes, enabling structured, disentangled transformations that preserve high-fidelity geometry. To ensure physically consistent motion, we propose a motion-aware canonical representation guided by physics-based constraints, including contact enforcement, velocity consistency, and vector-field alignment. Furthermore, we introduce a field of repel points to prevent part collisions and maintain stable articulation paths, significantly improving motion coherence over baselines. Extensive evaluations on both synthetic and real-world datasets show that Part$^{2}$GS consistently outperforms state-of-the-art methods by up to 10$\times$ in Chamfer Distance for movable parts.
☆ BREAD: Branched Rollouts from Expert Anchors Bridge SFT & RL for Reasoning
Small language models (SLMs) struggle to learn complex reasoning behaviors, especially when high-quality traces are scarce or difficult to learn from. The standard training approach combines a supervised fine-tuning (SFT) stage, often to distill capabilities of a larger model, followed by a reinforcement learning (RL)stage such as Group Relative Policy Optimization (GRPO). In this paper, we investigate the fundamental limitations of this SFT + RL paradigm and propose methods to overcome them. Under a suitable theoretical model, we demonstrate that the SFT + RL strategy can fail completely when (1) the expert's traces are too difficult for the small model to express, or (2) the small model's initialization has exponentially small likelihood of success. To address these, we introduce BREAD: a GRPO variant that unifies the SFT and RL stages via partial expert guidance and branched rollouts. When self-generated traces fail, BREAD adaptively inserts short expert prefixes/hints, allowing the small model to complete the rest of the reasoning path, and ensuring that each update includes at least one successful trace. This mechanism both densifies the reward signal and induces a natural learning curriculum. BREAD requires fewer than 40% of ground-truth traces, consistently outperforming standard GRPO while speeding up the training by about 3 times. Importantly, we demonstrate that BREAD helps the model solve problems that are otherwise unsolvable by the SFT + RL strategy, highlighting how branched rollouts and expert guidance can substantially boost SLM reasoning.
☆ DreamCube: 3D Panorama Generation via Multi-plane Synchronization
3D panorama synthesis is a promising yet challenging task that demands high-quality and diverse visual appearance and geometry of the generated omnidirectional content. Existing methods leverage rich image priors from pre-trained 2D foundation models to circumvent the scarcity of 3D panoramic data, but the incompatibility between 3D panoramas and 2D single views limits their effectiveness. In this work, we demonstrate that by applying multi-plane synchronization to the operators from 2D foundation models, their capabilities can be seamlessly extended to the omnidirectional domain. Based on this design, we further introduce DreamCube, a multi-plane RGB-D diffusion model for 3D panorama generation, which maximizes the reuse of 2D foundation model priors to achieve diverse appearances and accurate geometry while maintaining multi-view consistency. Extensive experiments demonstrate the effectiveness of our approach in panoramic image generation, panoramic depth estimation, and 3D scene generation.
comment: Project page: https://yukun-huang.github.io/DreamCube/
☆ Network Sparsity Unlocks the Scaling Potential of Deep Reinforcement Learning ICML 2025
Effectively scaling up deep reinforcement learning models has proven notoriously difficult due to network pathologies during training, motivating various targeted interventions such as periodic reset and architectural advances such as layer normalization. Instead of pursuing more complex modifications, we show that introducing static network sparsity alone can unlock further scaling potential beyond their dense counterparts with state-of-the-art architectures. This is achieved through simple one-shot random pruning, where a predetermined percentage of network weights are randomly removed once before training. Our analysis reveals that, in contrast to naively scaling up dense DRL networks, such sparse networks achieve both higher parameter efficiency for network expressivity and stronger resistance to optimization challenges like plasticity loss and gradient interference. We further extend our evaluation to visual and streaming RL scenarios, demonstrating the consistent benefits of network sparsity.
comment: Accepted to ICML 2025
☆ Schrödinger Bridge Matching for Tree-Structured Costs and Entropic Wasserstein Barycentres
Recent advances in flow-based generative modelling have provided scalable methods for computing the Schr\"odinger Bridge (SB) between distributions, a dynamic form of entropy-regularised Optimal Transport (OT) for the quadratic cost. The successful Iterative Markovian Fitting (IMF) procedure solves the SB problem via sequential bridge-matching steps, presenting an elegant and practical approach with many favourable properties over the more traditional Iterative Proportional Fitting (IPF) procedure. Beyond the standard setting, optimal transport can be generalised to the multi-marginal case in which the objective is to minimise a cost defined over several marginal distributions. Of particular importance are costs defined over a tree structure, from which Wasserstein barycentres can be recovered as a special case. In this work, we extend the IMF procedure to solve for the tree-structured SB problem. Our resulting algorithm inherits the many advantages of IMF over IPF approaches in the tree-based setting. In the specific case of Wasserstein barycentres, our approach can be viewed as extending fixed-point approaches for barycentre computation to the case of flow-based entropic OT solvers.
comment: Preprint
☆ Optimal Implicit Bias in Linear Regression
Most modern learning problems are over-parameterized, where the number of learnable parameters is much greater than the number of training data points. In this over-parameterized regime, the training loss typically has infinitely many global optima that completely interpolate the data with varying generalization performance. The particular global optimum we converge to depends on the implicit bias of the optimization algorithm. The question we address in this paper is, ``What is the implicit bias that leads to the best generalization performance?". To find the optimal implicit bias, we provide a precise asymptotic analysis of the generalization performance of interpolators obtained from the minimization of convex functions/potentials for over-parameterized linear regression with non-isotropic Gaussian data. In particular, we obtain a tight lower bound on the best generalization error possible among this class of interpolators in terms of the over-parameterization ratio, the variance of the noise in the labels, the eigenspectrum of the data covariance, and the underlying distribution of the parameter to be estimated. Finally, we find the optimal convex implicit bias that achieves this lower bound under certain sufficient conditions involving the log-concavity of the distribution of a Gaussian convolved with the prior of the true underlying parameter.
☆ Variational Learning of Disentangled Representations
Disentangled representations enable models to separate factors of variation that are shared across experimental conditions from those that are condition-specific. This separation is essential in domains such as biomedical data analysis, where generalization to new treatments, patients, or species depends on isolating stable biological signals from context-dependent effects. While extensions of the variational autoencoder (VAE) framework have been proposed to address this problem, they frequently suffer from leakage between latent representations, limiting their ability to generalize to unseen conditions. Here, we introduce DISCoVeR, a new variational framework that explicitly separates condition-invariant and condition-specific factors. DISCoVeR integrates three key components: (i) a dual-latent architecture that models shared and specific factors separately; (ii) two parallel reconstructions that ensure both representations remain informative; and (iii) a novel max-min objective that encourages clean separation without relying on handcrafted priors, while making only minimal assumptions. Theoretically, we show that this objective maximizes data likelihood while promoting disentanglement, and that it admits a unique equilibrium. Empirically, we demonstrate that DISCoVeR achieves improved disentanglement on synthetic datasets, natural images, and single-cell RNA-seq data. Together, these results establish DISCoVeR as a principled approach for learning disentangled representations in multi-condition settings.
☆ Deep generative models as the probability transformation functions
This paper introduces a unified theoretical perspective that views deep generative models as probability transformation functions. Despite the apparent differences in architecture and training methodologies among various types of generative models - autoencoders, autoregressive models, generative adversarial networks, normalizing flows, diffusion models, and flow matching - we demonstrate that they all fundamentally operate by transforming simple predefined distributions into complex target data distributions. This unifying perspective facilitates the transfer of methodological improvements between model architectures and provides a foundation for developing universal theoretical approaches, potentially leading to more efficient and effective generative modeling techniques.
comment: 12 pages, 6 figures, accepted for publication in "ICIST 2025 Springer Proceedings"
☆ Sparse-Reg: Improving Sample Complexity in Offline Reinforcement Learning using Sparsity
In this paper, we investigate the use of small datasets in the context of offline reinforcement learning (RL). While many common offline RL benchmarks employ datasets with over a million data points, many offline RL applications rely on considerably smaller datasets. We show that offline RL algorithms can overfit on small datasets, resulting in poor performance. To address this challenge, we introduce "Sparse-Reg": a regularization technique based on sparsity to mitigate overfitting in offline reinforcement learning, enabling effective learning in limited data settings and outperforming state-of-the-art baselines in continuous control.
☆ Do We Need Large VLMs for Spotting Soccer Actions?
Traditional video-based tasks like soccer action spotting rely heavily on visual inputs, often requiring complex and computationally expensive models to process dense video data. In this work, we propose a shift from this video-centric approach to a text-based task, making it lightweight and scalable by utilizing Large Language Models (LLMs) instead of Vision-Language Models (VLMs). We posit that expert commentary, which provides rich, fine-grained descriptions and contextual cues such as excitement and tactical insights, contains enough information to reliably spot key actions in a match. To demonstrate this, we use the SoccerNet Echoes dataset, which provides timestamped commentary, and employ a system of three LLMs acting as judges specializing in outcome, excitement, and tactics. Each LLM evaluates sliding windows of commentary to identify actions like goals, cards, and substitutions, generating accurate timestamps for these events. Our experiments show that this language-centric approach performs effectively in detecting critical match events, providing a lightweight and training-free alternative to traditional video-based methods for action spotting.
comment: 5 pages, 2 figures
☆ Consistent Sampling and Simulation: Molecular Dynamics with Energy-Based Diffusion Models
Diffusion models have recently gained significant attention due to their effectiveness in various scientific domains, including biochemistry. When trained on equilibrium molecular distributions, diffusion models provide both: a generative procedure to sample equilibrium conformations and associated forces derived from the model's scores. However, using the forces for coarse-grained molecular dynamics simulations uncovers inconsistencies in the samples generated via classical diffusion inference and simulation, despite both originating from the same model. Particularly at the small diffusion timesteps required for simulations, diffusion models fail to satisfy the Fokker-Planck equation, which governs how the score should evolve over time. We interpret this deviation as an indication of the observed inconsistencies and propose an energy-based diffusion model with a Fokker-Planck-derived regularization term enforcing consistency. We demonstrate the effectiveness of our approach on toy systems, alanine dipeptide, and introduce a state-of-the-art transferable Boltzmann emulator for dipeptides that supports simulation and demonstrates enhanced consistency and efficient sampling.
☆ Robust Training with Data Augmentation for Medical Imaging Classification
Deep neural networks are increasingly being used to detect and diagnose medical conditions using medical imaging. Despite their utility, these models are highly vulnerable to adversarial attacks and distribution shifts, which can affect diagnostic reliability and undermine trust among healthcare professionals. In this study, we propose a robust training algorithm with data augmentation (RTDA) to mitigate these vulnerabilities in medical image classification. We benchmark classifier robustness against adversarial perturbations and natural variations of RTDA and six competing baseline techniques, including adversarial training and data augmentation approaches in isolation and combination, using experimental data sets with three different imaging technologies (mammograms, X-rays, and ultrasound). We demonstrate that RTDA achieves superior robustness against adversarial attacks and improved generalization performance in the presence of distribution shift in each image classification task while maintaining high clean accuracy.
☆ Rapid and Continuous Trust Evaluation for Effective Task Collaboration Through Siamese Model
Trust is emerging as an effective tool to ensure the successful completion of collaborative tasks within collaborative systems. However, rapidly and continuously evaluating the trustworthiness of collaborators during task execution is a significant challenge due to distributed devices, complex operational environments, and dynamically changing resources. To tackle this challenge, this paper proposes a Siamese-enabled rapid and continuous trust evaluation framework (SRCTE) to facilitate effective task collaboration. First, the communication and computing resource attributes of the collaborator in a trusted state, along with historical collaboration data, are collected and represented using an attributed control flow graph (ACFG) that captures trust-related semantic information and serves as a reference for comparison with data collected during task execution. At each time slot of task execution, the collaborator's communication and computing resource attributes, as well as task completion effectiveness, are collected in real time and represented with an ACFG to convey their trust-related semantic information. A Siamese model, consisting of two shared-parameter Structure2vec networks, is then employed to learn the deep semantics of each pair of ACFGs and generate their embeddings. Finally, the similarity between the embeddings of each pair of ACFGs is calculated to determine the collaborator's trust value at each time slot. A real system is built using two Dell EMC 5200 servers and a Google Pixel 8 to test the effectiveness of the proposed SRCTE framework. Experimental results demonstrate that SRCTE converges rapidly with only a small amount of data and achieves a high anomaly trust detection rate compared to the baseline algorithm.
☆ TransDreamerV3: Implanting Transformer In DreamerV3
This paper introduces TransDreamerV3, a reinforcement learning model that enhances the DreamerV3 architecture by integrating a transformer encoder. The model is designed to improve memory and decision-making capabilities in complex environments. We conducted experiments on Atari-Boxing, Atari-Freeway, Atari-Pong, and Crafter tasks, where TransDreamerV3 demonstrated improved performance over DreamerV3, particularly in the Atari-Freeway and Crafter tasks. While issues in the Minecraft task and limited training across all tasks were noted, TransDreamerV3 displays advancement in world model-based reinforcement learning, leveraging transformer architectures.
☆ Identifiability of Deep Polynomial Neural Networks
Polynomial Neural Networks (PNNs) possess a rich algebraic and geometric structure. However, their identifiability -- a key property for ensuring interpretability -- remains poorly understood. In this work, we present a comprehensive analysis of the identifiability of deep PNNs, including architectures with and without bias terms. Our results reveal an intricate interplay between activation degrees and layer widths in achieving identifiability. As special cases, we show that architectures with non-increasing layer widths are generically identifiable under mild conditions, while encoder-decoder networks are identifiable when the decoder widths do not grow too rapidly. Our proofs are constructive and center on a connection between deep PNNs and low-rank tensor decompositions, and Kruskal-type uniqueness theorems. This yields both generic conditions determined by the architecture, and effective conditions that depend on the network's parameters. We also settle an open conjecture on the expected dimension of PNN's neurovarieties, and provide new bounds on the activation degrees required for it to reach its maximum.
comment: 1 figure
☆ Neural Polar Decoders for DNA Data Storage
Synchronization errors, such as insertions and deletions, present a fundamental challenge in DNA-based data storage systems, arising from both synthesis and sequencing noise. These channels are often modeled as insertion-deletion-substitution (IDS) channels, for which designing maximum-likelihood decoders is computationally expensive. In this work, we propose a data-driven approach based on neural polar decoders (NPDs) to design low-complexity decoders for channels with synchronization errors. The proposed architecture enables decoding over IDS channels with reduced complexity $O(AN log N )$, where $A$ is a tunable parameter independent of the channel. NPDs require only sample access to the channel and can be trained without an explicit channel model. Additionally, NPDs provide mutual information (MI) estimates that can be used to optimize input distributions and code design. We demonstrate the effectiveness of NPDs on both synthetic deletion and IDS channels. For deletion channels, we show that NPDs achieve near-optimal decoding performance and accurate MI estimation, with significantly lower complexity than trellis-based decoders. We also provide numerical estimates of the channel capacity for the deletion channel. We extend our evaluation to realistic DNA storage settings, including channels with multiple noisy reads and real-world Nanopore sequencing data. Our results show that NPDs match or surpass the performance of existing methods while using significantly fewer parameters than the state-of-the-art. These findings highlight the promise of NPDs for robust and efficient decoding in DNA data storage systems.
☆ Empowering Near-Field Communications in Low-Altitude Economy with LLM: Fundamentals, Potentials, Solutions, and Future Directions
The low-altitude economy (LAE) is gaining significant attention from academia and industry. Fortunately, LAE naturally aligns with near-field communications in extremely large-scale MIMO (XL-MIMO) systems. By leveraging near-field beamfocusing, LAE can precisely direct beam energy to unmanned aerial vehicles, while the additional distance dimension boosts overall spectrum efficiency. However, near-field communications in LAE still face several challenges, such as the increase in signal processing complexity and the necessity of distinguishing between far and near-field users. Inspired by the large language models (LLM) with powerful ability to handle complex problems, we apply LLM to solve challenges of near-field communications in LAE. The objective of this article is to provide a comprehensive analysis and discussion on LLM-empowered near-field communications in LAE. Specifically, we first introduce fundamentals of LLM and near-field communications, including the key advantages of LLM and key characteristics of near-field communications. Then, we reveal the opportunities and challenges of near-field communications in LAE. To address these challenges, we present a LLM-based scheme for near-field communications in LAE, and provide a case study which jointly distinguishes far and near-field users and designs multi-user precoding matrix. Finally, we outline and highlight several future research directions and open issues.
☆ Flow-Based Non-stationary Temporal Regime Causal Structure Learning
Understanding causal relationships in multivariate time series is crucial in many scenarios, such as those dealing with financial or neurological data. Many such time series exhibit multiple regimes, i.e., consecutive temporal segments with a priori unknown boundaries, with each regime having its own causal structure. Inferring causal dependencies and regime shifts is critical for analyzing the underlying processes. However, causal structure learning in this setting is challenging due to (1) non stationarity, i.e., each regime can have its own causal graph and mixing function, and (2) complex noise distributions, which may be non Gaussian or heteroscedastic. Existing causal discovery approaches cannot address these challenges, since generally assume stationarity or Gaussian noise with constant variance. Hence, we introduce FANTOM, a unified framework for causal discovery that handles non stationary processes along with non Gaussian and heteroscedastic noises. FANTOM simultaneously infers the number of regimes and their corresponding indices and learns each regime's Directed Acyclic Graph. It uses a Bayesian Expectation Maximization algorithm that maximizes the evidence lower bound of the data log likelihood. On the theoretical side, we prove, under mild assumptions, that temporal heteroscedastic causal models, introduced in FANTOM's formulation, are identifiable in both stationary and non stationary settings. In addition, extensive experiments on synthetic and real data show that FANTOM outperforms existing methods.
☆ Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings NeurIPS 2025
Generating diverse, all-atom conformational ensembles of dynamic proteins such as G-protein-coupled receptors (GPCRs) is critical for understanding their function, yet most generative models simplify atomic detail or ignore conformational diversity altogether. We present latent diffusion for full protein generation (LD-FPG), a framework that constructs complete all-atom protein structures, including every side-chain heavy atom, directly from molecular dynamics (MD) trajectories. LD-FPG employs a Chebyshev graph neural network (ChebNet) to obtain low-dimensional latent embeddings of protein conformations, which are processed using three pooling strategies: blind, sequential and residue-based. A diffusion model trained on these latent representations generates new samples that a decoder, optionally regularized by dihedral-angle losses, maps back to Cartesian coordinates. Using D2R-MD, a 2-microsecond MD trajectory (12 000 frames) of the human dopamine D2 receptor in a membrane environment, the sequential and residue-based pooling strategy reproduces the reference ensemble with high structural fidelity (all-atom lDDT of approximately 0.7; C-alpha-lDDT of approximately 0.8) and recovers backbone and side-chain dihedral-angle distributions with a Jensen-Shannon divergence of less than 0.03 compared to the MD data. LD-FPG thereby offers a practical route to system-specific, all-atom ensemble generation for large proteins, providing a promising tool for structure-based therapeutic design on complex, dynamic targets. The D2R-MD dataset and our implementation are freely available to facilitate further research.
comment: 10 pages (main text), 4 figures, 2 tables. Submitted to NeurIPS 2025. Code and data are publicly available
☆ Client Selection Strategies for Federated Semantic Communications in Heterogeneous IoT Networks
The exponential growth of IoT devices presents critical challenges in bandwidth-constrained wireless networks, particularly regarding efficient data transmission and privacy preservation. This paper presents a novel federated semantic communication (SC) framework that enables collaborative training of bandwidth-efficient models for image reconstruction across heterogeneous IoT devices. By leveraging SC principles to transmit only semantic features, our approach dramatically reduces communication overhead while preserving reconstruction quality. We address the fundamental challenge of client selection in federated learning environments where devices exhibit significant disparities in dataset sizes and data distributions. Our framework implements three distinct client selection strategies that explore different trade-offs between system performance and fairness in resource allocation. The system employs an end-to-end SC architecture with semantic bottlenecks, coupled with a loss-based aggregation mechanism that naturally adapts to client heterogeneity. Experimental evaluation on image data demonstrates that while Utilitarian selection achieves the highest reconstruction quality, Proportional Fairness maintains competitive performance while significantly reducing participation inequality and improving computational efficiency. These results establish that federated SC can successfully balance reconstruction quality, resource efficiency, and fairness in heterogeneous IoT deployments, paving the way for sustainable and privacy-preserving edge intelligence applications.
☆ Universal Music Representations? Evaluating Foundation Models on World Music Corpora
Foundation models have revolutionized music information retrieval, but questions remain about their ability to generalize across diverse musical traditions. This paper presents a comprehensive evaluation of five state-of-the-art audio foundation models across six musical corpora spanning Western popular, Greek, Turkish, and Indian classical traditions. We employ three complementary methodologies to investigate these models' cross-cultural capabilities: probing to assess inherent representations, targeted supervised fine-tuning of 1-2 layers, and multi-label few-shot learning for low-resource scenarios. Our analysis shows varying cross-cultural generalization, with larger models typically outperforming on non-Western music, though results decline for culturally distant traditions. Notably, our approaches achieve state-of-the-art performance on five out of six evaluated datasets, demonstrating the effectiveness of foundation models for world music understanding. We also find that our targeted fine-tuning approach does not consistently outperform probing across all settings, suggesting foundation models already encode substantial musical knowledge. Our evaluation framework and benchmarking results contribute to understanding how far current models are from achieving universal music representations while establishing metrics for future progress.
comment: Accepted at ISMIR 2025
☆ From Concepts to Components: Concept-Agnostic Attention Module Discovery in Transformers
Transformers have achieved state-of-the-art performance across language and vision tasks. This success drives the imperative to interpret their internal mechanisms with the dual goals of enhancing performance and improving behavioral control. Attribution methods help advance interpretability by assigning model outputs associated with a target concept to specific model components. Current attribution research primarily studies multi-layer perceptron neurons and addresses relatively simple concepts such as factual associations (e.g., Paris is located in France). This focus tends to overlook the impact of the attention mechanism and lacks a unified approach for analyzing more complex concepts. To fill these gaps, we introduce Scalable Attention Module Discovery (SAMD), a concept-agnostic method for mapping arbitrary, complex concepts to specific attention heads of general transformer models. We accomplish this by representing each concept as a vector, calculating its cosine similarity with each attention head, and selecting the TopK-scoring heads to construct the concept-associated attention module. We then propose Scalar Attention Module Intervention (SAMI), a simple strategy to diminish or amplify the effects of a concept by adjusting the attention module using only a single scalar parameter. Empirically, we demonstrate SAMD on concepts of varying complexity, and visualize the locations of their corresponding modules. Our results demonstrate that module locations remain stable before and after LLM post-training, and confirm prior work on the mechanics of LLM multilingualism. Through SAMI, we facilitate jailbreaking on HarmBench (+72.7%) by diminishing "safety" and improve performance on the GSM8K benchmark (+1.6%) by amplifying "reasoning". Lastly, we highlight the domain-agnostic nature of our approach by suppressing the image classification accuracy of vision transformers on ImageNet.
☆ Navigating the Deep: Signature Extraction on Deep Neural Networks
Neural network model extraction has emerged in recent years as an important security concern, as adversaries attempt to recover a network's parameters via black-box queries. A key step in this process is signature extraction, which aims to recover the absolute values of the network's weights layer by layer. Prior work, notably by Carlini et al. (2020), introduced a technique inspired by differential cryptanalysis to extract neural network parameters. However, their method suffers from several limitations that restrict its applicability to networks with a few layers only. Later works focused on improving sign extraction, but largely relied on the assumption that signature extraction itself was feasible. In this work, we revisit and refine the signature extraction process by systematically identifying and addressing for the first time critical limitations of Carlini et al.'s signature extraction method. These limitations include rank deficiency and noise propagation from deeper layers. To overcome these challenges, we propose efficient algorithmic solutions for each of the identified issues, greatly improving the efficiency of signature extraction. Our approach permits the extraction of much deeper networks than was previously possible. We validate our method through extensive experiments on ReLU-based neural networks, demonstrating significant improvements in extraction depth and accuracy. For instance, our extracted network matches the target network on at least 95% of the input space for each of the eight layers of a neural network trained on the CIFAR-10 dataset, while previous works could barely extract the first three layers. Our results represent a crucial step toward practical attacks on larger and more complex neural network architectures.
comment: 26 pages
☆ MUCAR: Benchmarking Multilingual Cross-Modal Ambiguity Resolution for Multimodal Large Language Models
Multimodal Large Language Models (MLLMs) have demonstrated significant advances across numerous vision-language tasks. Due to their strong image-text alignment capability, MLLMs can effectively understand image-text pairs with clear meanings. However, effectively resolving the inherent ambiguities in natural language and visual contexts remains challenging. Existing multimodal benchmarks typically overlook linguistic and visual ambiguities, relying mainly on unimodal context for disambiguation and thus failing to exploit the mutual clarification potential between modalities. To bridge this gap, we introduce MUCAR, a novel and challenging benchmark designed explicitly for evaluating multimodal ambiguity resolution across multilingual and cross-modal scenarios. MUCAR includes: (1) a multilingual dataset where ambiguous textual expressions are uniquely resolved by corresponding visual contexts, and (2) a dual-ambiguity dataset that systematically pairs ambiguous images with ambiguous textual contexts, with each combination carefully constructed to yield a single, clear interpretation through mutual disambiguation. Extensive evaluations involving 19 state-of-the-art multimodal models--encompassing both open-source and proprietary architectures--reveal substantial gaps compared to human-level performance, highlighting the need for future research into more sophisticated cross-modal ambiguity comprehension methods, further pushing the boundaries of multimodal reasoning.
☆ MAWIFlow Benchmark: Realistic Flow-Based Evaluation for Network Intrusion Detection
Benchmark datasets for network intrusion detection commonly rely on synthetically generated traffic, which fails to reflect the statistical variability and temporal drift encountered in operational environments. This paper introduces MAWIFlow, a flow-based benchmark derived from the MAWILAB v1.1 dataset, designed to enable realistic and reproducible evaluation of anomaly detection methods. A reproducible preprocessing pipeline is presented that transforms raw packet captures into flow representations conforming to the CICFlowMeter format, while preserving MAWILab's original anomaly labels. The resulting datasets comprise temporally distinct samples from January 2011, 2016, and 2021, drawn from trans-Pacific backbone traffic. To establish reference baselines, traditional machine learning methods, including Decision Trees, Random Forests, XGBoost, and Logistic Regression, are compared to a deep learning model based on a CNN-BiLSTM architecture. Empirical results demonstrate that tree-based classifiers perform well on temporally static data but experience significant performance degradation over time. In contrast, the CNN-BiLSTM model maintains better performance, thus showing improved generalization. These findings underscore the limitations of synthetic benchmarks and static models, and motivate the adoption of realistic datasets with explicit temporal structure. All datasets, pipeline code, and model implementations are made publicly available to foster transparency and reproducibility.
comment: 11 pages, 3 figures
☆ LSCD: Lomb-Scargle Conditioned Diffusion for Time series Imputation ICML 2025
Time series with missing or irregularly sampled data are a persistent challenge in machine learning. Many methods operate on the frequency-domain, relying on the Fast Fourier Transform (FFT) which assumes uniform sampling, therefore requiring prior interpolation that can distort the spectra. To address this limitation, we introduce a differentiable Lomb--Scargle layer that enables a reliable computation of the power spectrum of irregularly sampled data. We integrate this layer into a novel score-based diffusion model (LSCD) for time series imputation conditioned on the entire signal spectrum. Experiments on synthetic and real-world benchmarks demonstrate that our method recovers missing data more accurately than purely time-domain baselines, while simultaneously producing consistent frequency estimates. Crucially, our method can be easily integrated into learning frameworks, enabling broader adoption of spectral guidance in machine learning approaches involving incomplete or irregular data.
comment: In ICML 2025
☆ Bayesian Joint Model of Multi-Sensor and Failure Event Data for Multi-Mode Failure Prediction
Modern industrial systems are often subject to multiple failure modes, and their conditions are monitored by multiple sensors, generating multiple time-series signals. Additionally, time-to-failure data are commonly available. Accurately predicting a system's remaining useful life (RUL) requires effectively leveraging multi-sensor time-series data alongside multi-mode failure event data. In most existing models, failure modes and RUL prediction are performed independently, ignoring the inherent relationship between these two tasks. Some models integrate multiple failure modes and event prediction using black-box machine learning approaches, which lack statistical rigor and cannot characterize the inherent uncertainty in the model and data. This paper introduces a unified approach to jointly model the multi-sensor time-series data and failure time concerning multiple failure modes. This proposed model integrate a Cox proportional hazards model, a Convolved Multi-output Gaussian Process, and multinomial failure mode distributions in a hierarchical Bayesian framework with corresponding priors, enabling accurate prediction with robust uncertainty quantification. Posterior distributions are effectively obtained by Variational Bayes, and prediction is performed with Monte Carlo sampling. The advantages of the proposed model is validated through extensive numerical and case studies with jet-engine dataset.
☆ Critical Appraisal of Fairness Metrics in Clinical Predictive AI
Predictive artificial intelligence (AI) offers an opportunity to improve clinical practice and patient outcomes, but risks perpetuating biases if fairness is inadequately addressed. However, the definition of "fairness" remains unclear. We conducted a scoping review to identify and critically appraise fairness metrics for clinical predictive AI. We defined a "fairness metric" as a measure quantifying whether a model discriminates (societally) against individuals or groups defined by sensitive attributes. We searched five databases (2014-2024), screening 820 records, to include 41 studies, and extracted 62 fairness metrics. Metrics were classified by performance-dependency, model output level, and base performance metric, revealing a fragmented landscape with limited clinical validation and overreliance on threshold-dependent measures. Eighteen metrics were explicitly developed for healthcare, including only one clinical utility metric. Our findings highlight conceptual challenges in defining and quantifying fairness and identify gaps in uncertainty quantification, intersectionality, and real-world applicability. Future work should prioritise clinically meaningful metrics.
comment: 32 pages, 1 figure, 2 tables, 5 boxes, 4 linked supplementary materials
☆ Scalable and Reliable Multi-agent Reinforcement Learning for Traffic Assignment
The evolution of metropolitan cities and the increase in travel demands impose stringent requirements on traffic assignment methods. Multi-agent reinforcement learning (MARL) approaches outperform traditional methods in modeling adaptive routing behavior without requiring explicit system dynamics, which is beneficial for real-world deployment. However, MARL frameworks face challenges in scalability and reliability when managing extensive networks with substantial travel demand, which limiting their practical applicability in solving large-scale traffic assignment problems. To address these challenges, this study introduces MARL-OD-DA, a new MARL framework for the traffic assignment problem, which redefines agents as origin-destination (OD) pair routers rather than individual travelers, significantly enhancing scalability. Additionally, a Dirichlet-based action space with action pruning and a reward function based on the local relative gap are designed to enhance solution reliability and improve convergence efficiency. Experiments demonstrate that the proposed MARL framework effectively handles medium-sized networks with extensive and varied city-level OD demand, surpassing existing MARL methods. When implemented in the SiouxFalls network, MARL-OD-DA achieves better assignment solutions in 10 steps, with a relative gap that is 94.99% lower than that of conventional methods.
☆ A Quantile Regression Approach for Remaining Useful Life Estimation with State Space Models
Predictive Maintenance (PdM) is pivotal in Industry 4.0 and 5.0, proactively enhancing efficiency through accurate equipment Remaining Useful Life (RUL) prediction, thus optimizing maintenance scheduling and reducing unexpected failures and premature interventions. This paper introduces a novel RUL estimation approach leveraging State Space Models (SSM) for efficient long-term sequence modeling. To handle model uncertainty, Simoultaneous Quantile Regression (SQR) is integrated into the SSM, enabling multiple quantile estimations. The proposed method is benchmarked against traditional sequence modelling techniques (LSTM, Transformer, Informer) using the C-MAPSS dataset. Results demonstrate superior accuracy and computational efficiency of SSM models, underscoring their potential for high-stakes industrial applications.
comment: Submitted to IFAC Joint Conference on Computers, Cognition, and Communication (J3C) 2025
☆ The Hidden Cost of an Image: Quantifying the Energy Consumption of AI Image Generation
With the growing adoption of AI image generation, in conjunction with the ever-increasing environmental resources demanded by AI, we are urged to answer a fundamental question: What is the environmental impact hidden behind each image we generate? In this research, we present a comprehensive empirical experiment designed to assess the energy consumption of AI image generation. Our experiment compares 17 state-of-the-art image generation models by considering multiple factors that could affect their energy consumption, such as model quantization, image resolution, and prompt length. Additionally, we consider established image quality metrics to study potential trade-offs between energy consumption and generated image quality. Results show that image generation models vary drastically in terms of the energy they consume, with up to a 46x difference. Image resolution affects energy consumption inconsistently, ranging from a 1.3x to 4.7x increase when doubling resolution. U-Net-based models tend to consume less than Transformer-based one. Model quantization instead results to deteriorate the energy efficiency of most models, while prompt length and content have no statistically significant impact. Improving image quality does not always come at the cost of a higher energy consumption, with some of the models producing the highest quality images also being among the most energy efficient ones.
☆ Simulating Correlated Electrons with Symmetry-Enforced Normalizing Flows
We present the first proof of principle that normalizing flows can accurately learn the Boltzmann distribution of the fermionic Hubbard model - a key framework for describing the electronic structure of graphene and related materials. State-of-the-art methods like Hybrid Monte Carlo often suffer from ergodicity issues near the time-continuum limit, leading to biased estimates. Leveraging symmetry-aware architectures as well as independent and identically distributed sampling, our approach resolves these issues and achieves significant speed-ups over traditional methods.
comment: 9 pages, 7 figures
☆ Robust Reinforcement Learning for Discrete Compositional Generation via General Soft Operators
A major bottleneck in scientific discovery involves narrowing a large combinatorial set of objects, such as proteins or molecules, to a small set of promising candidates. While this process largely relies on expert knowledge, recent methods leverage reinforcement learning (RL) to enhance this filtering. They achieve this by estimating proxy reward functions from available datasets and using regularization to generate more diverse candidates. These reward functions are inherently uncertain, raising a particularly salient challenge for scientific discovery. In this work, we show that existing methods, often framed as sampling proportional to a reward function, are inadequate and yield suboptimal candidates, especially in large search spaces. To remedy this issue, we take a robust RL approach and introduce a unified operator that seeks robustness to the uncertainty of the proxy reward function. This general operator targets peakier sampling distributions while encompassing known soft RL operators. It also leads us to a novel algorithm that identifies higher-quality, diverse candidates in both synthetic and real-world tasks. Ultimately, our work offers a new, flexible perspective on discrete compositional generation tasks. Code: https://github.com/marcojira/tgm.
☆ Prmpt2Adpt: Prompt-Based Zero-Shot Domain Adaptation for Resource-Constrained Environments
Unsupervised Domain Adaptation (UDA) is a critical challenge in real-world vision systems, especially in resource-constrained environments like drones, where memory and computation are limited. Existing prompt-driven UDA methods typically rely on large vision-language models and require full access to source-domain data during adaptation, limiting their applicability. In this work, we propose Prmpt2Adpt, a lightweight and efficient zero-shot domain adaptation framework built around a teacher-student paradigm guided by prompt-based feature alignment. At the core of our method is a distilled and fine-tuned CLIP model, used as the frozen backbone of a Faster R-CNN teacher. A small set of low-level source features is aligned to the target domain semantics-specified only through a natural language prompt-via Prompt-driven Instance Normalization (PIN). These semantically steered features are used to briefly fine-tune the detection head of the teacher model. The adapted teacher then generates high-quality pseudo-labels, which guide the on-the-fly adaptation of a compact student model. Experiments on the MDS-A dataset demonstrate that Prmpt2Adpt achieves competitive detection performance compared to state-of-the-art methods, while delivering up to 7x faster adaptation and 5x faster inference speed using few source images-making it a practical and scalable solution for real-time adaptation in low-resource domains.
☆ Language Bottleneck Models: A Framework for Interpretable Knowledge Tracing and Beyond
Accurately assessing student knowledge is critical for effective education, yet traditional Knowledge Tracing (KT) methods rely on opaque latent embeddings, limiting interpretability. Even LLM-based approaches generate direct predictions or summaries that may hallucinate without any accuracy guarantees. We recast KT as an inverse problem: learning the minimum natural-language summary that makes past answers explainable and future answers predictable. Our Language Bottleneck Model (LBM) consists of an encoder LLM that writes an interpretable knowledge summary and a frozen decoder LLM that must reconstruct and predict student responses using only that summary text. By constraining all predictive information to pass through a short natural-language bottleneck, LBMs ensure that the summary contains accurate information while remaining human-interpretable. Experiments on synthetic arithmetic benchmarks and the large-scale Eedi dataset show that LBMs rival the accuracy of state-of-the-art KT and direct LLM methods while requiring orders-of-magnitude fewer student trajectories. We demonstrate that training the encoder with group-relative policy optimization, using downstream decoding accuracy as a reward signal, effectively improves summary quality.
☆ Latent Concept Disentanglement in Transformer-based Language Models
When large language models (LLMs) use in-context learning (ICL) to solve a new task, they seem to grasp not only the goal of the task but also core, latent concepts in the demonstration examples. This begs the question of whether transformers represent latent structures as part of their computation or whether they take shortcuts to solve the problem. Prior mechanistic work on ICL does not address this question because it does not sufficiently examine the relationship between the learned representation and the latent concept, and the considered problem settings often involve only single-step reasoning. In this work, we examine how transformers disentangle and use latent concepts. We show that in 2-hop reasoning tasks with a latent, discrete concept, the model successfully identifies the latent concept and does step-by-step concept composition. In tasks parameterized by a continuous latent concept, we find low-dimensional subspaces in the representation space where the geometry mimics the underlying parameterization. Together, these results refine our understanding of ICL and the representation of transformers, and they provide evidence for highly localized structures in the model that disentangle latent concepts in ICL tasks.
☆ RocketStack: A level-aware deep recursive ensemble learning framework with exploratory feature fusion and model pruning dynamics
Ensemble learning remains a cornerstone of machine learning, with stacking used to integrate predictions from multiple base learners through a meta-model. However, deep stacking remains rare, as most designs prioritize horizontal diversity over recursive depth due to model complexity, feature redundancy, and computational burden. To address these challenges, RocketStack, a level-aware recursive ensemble framework, is introduced and explored up to ten stacking levels, extending beyond prior architectures. The framework incrementally prunes weaker learners at each level, enabling deeper stacking without excessive complexity. To mitigate early performance saturation, mild Gaussian noise is added to out-of-fold (OOF) scores before pruning, and compared against strict OOF pruning. Further both per-level and periodic feature compressions are explored using attention-based selection, Simple, Fast, Efficient (SFE) filter, and autoencoders. Across 33 datasets (23 binary, 10 multi-class), linear-trend tests confirmed rising accuracy with depth in most variants, and the top performing meta-model at each level increasingly outperformed the strongest standalone ensemble. In the binary subset, periodic SFE with mild OOF-score randomization reached 97.08% at level 10, 5.14% above the strict-pruning configuration and cut runtime by 10.5% relative to no compression. In the multi-class subset, periodic attention selection reached 98.60% at level 10, exceeding the strongest baseline by 6.11%, while reducing runtime by 56.1% and feature dimensionality by 74% compared to no compression. These findings highlight mild randomization as an effective regularizer and periodic compression as a stabilizer. Echoing the design of multistage rockets in aerospace (prune, compress, propel) RocketStack achieves deep recursive ensembling with tractable complexity.
comment: 32 pages, 1 graphical abstract, 7 figures, 9 tables, 2 supplementary figures
☆ LAION-C: An Out-of-Distribution Benchmark for Web-Scale Vision Models ICML 2025
Out-of-distribution (OOD) robustness is a desired property of computer vision models. Improving model robustness requires high-quality signals from robustness benchmarks to quantify progress. While various benchmark datasets such as ImageNet-C were proposed in the ImageNet era, most ImageNet-C corruption types are no longer OOD relative to today's large, web-scraped datasets, which already contain common corruptions such as blur or JPEG compression artifacts. Consequently, these benchmarks are no longer well-suited for evaluating OOD robustness in the era of web-scale datasets. Indeed, recent models show saturating scores on ImageNet-era OOD benchmarks, indicating that it is unclear whether models trained on web-scale datasets truly become better at OOD generalization or whether they have simply been exposed to the test distortions during training. To address this, we introduce LAION-C as a benchmark alternative for ImageNet-C. LAION-C consists of six novel distortion types specifically designed to be OOD, even for web-scale datasets such as LAION. In a comprehensive evaluation of state-of-the-art models, we find that the LAION-C dataset poses significant challenges to contemporary models, including MLLMs such as Gemini and GPT-4o. We additionally conducted a psychophysical experiment to evaluate the difficulty of our corruptions for human observers, enabling a comparison of models to lab-quality human robustness data. We observe a paradigm shift in OOD generalization: from humans outperforming models, to the best models now matching or outperforming the best human observers.
comment: ICML 2025 camera ready version
☆ Enhancing Expressivity of Quantum Neural Networks Based on the SWAP test
Parameterized quantum circuits represent promising architectures for machine learning applications, yet many lack clear connections to classical models, potentially limiting their ability to translate the wide success of classical neural networks to the quantum realm. We examine a specific type of quantum neural network (QNN) built exclusively from SWAP test circuits, and discuss its mathematical equivalence to a classical two-layer feedforward network with quadratic activation functions under amplitude encoding. Our analysis across classical real-world and synthetic datasets reveals that while this architecture can successfully learn many practical tasks, it exhibits fundamental expressivity limitations due to violating the universal approximation theorem, particularly failing on harder problems like the parity check function. To address this limitation, we introduce a circuit modification using generalized SWAP test circuits that effectively implements classical neural networks with product layers. This enhancement enables successful learning of parity check functions in arbitrary dimensions which we analytically argue to be impossible for the original architecture beyond two dimensions regardless of network size. Our results establish a framework for enhancing QNN expressivity through classical task analysis and demonstrate that our SWAP test-based architecture offers broad representational capacity, suggesting potential promise also for quantum learning tasks.
comment: 15 pages, 7 figures
☆ A deep learning and machine learning approach to predict neonatal death in the context of São Paulo
Neonatal death is still a concerning reality for underdeveloped and even some developed countries. Worldwide data indicate that 26.693 babies out of 1,000 births die, according to Macro Trades. To reduce this number, early prediction of endangered babies is crucial. Such prediction enables the opportunity to take ample care of the child and mother so that early child death can be avoided. In this context, machine learning was used to determine whether a newborn baby is at risk. To train the predictive model, historical data of 1.4 million newborns was used. Machine learning and deep learning techniques such as logical regression, K-nearest neighbor, random forest classifier, extreme gradient boosting (XGBoost), convolutional neural network, and long short-term memory (LSTM) were implemented using the dataset to identify the most accurate model for predicting neonatal mortality. Among the machine learning algorithms, XGBoost and random forest classifier achieved the best accuracy with 94%, while among the deep learning models, LSTM delivered the highest accuracy with 99%. Therefore, using LSTM appears to be the most suitable approach to predict whether precautionary measures for a child are necessary.
☆ A Neural Operator based Hybrid Microscale Model for Multiscale Simulation of Rate-Dependent Materials
The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential. Numerical methods, such as the $\text{FE}^2$ approach, account for micro-macro interactions to predict the global response in a concurrent manner. However, these methods are computationally intensive due to the repeated evaluations of the microscale. This challenge has led to the integration of deep learning techniques into computational homogenization frameworks to accelerate multiscale simulations. In this work, we employ neural operators to predict the microscale physics, resulting in a hybrid model that combines data-driven and physics-based approaches. This allows for physics-guided learning and provides flexibility for different materials and spatial discretizations. We apply this method to time-dependent solid mechanics problems involving viscoelastic material behavior, where the state is represented by internal variables only at the microscale. The constitutive relations of the microscale are incorporated into the model architecture and the internal variables are computed based on established physical principles. The results for homogenized stresses ($<6\%$ error) show that the approach is computationally efficient ($\sim 100 \times$ faster).
☆ From Data to Knowledge: Evaluating How Efficiently Language Models Learn Facts ACL 2025
Sample efficiency is a crucial property of language models with practical implications for training efficiency. In real-world text, information follows a long-tailed distribution. Yet, we expect models to learn and recall frequent and infrequent facts. Sample-efficient models are better equipped to handle this challenge of learning and retaining rare information without requiring excessive exposure. This study analyzes multiple models of varying architectures and sizes, all trained on the same pre-training data. By annotating relational facts with their frequencies in the training corpus, we examine how model performance varies with fact frequency. Our findings show that most models perform similarly on high-frequency facts but differ notably on low-frequency facts. This analysis provides new insights into the relationship between model architecture, size, and factual learning efficiency.
comment: Accepted to the First Workshop on Large Language Model Memorization (L2M2), co-located with ACL 2025 in Vienna
☆ RCNet: $ΔΣ$ IADCs as Recurrent AutoEncoders
This paper proposes a deep learning model (RCNet) for Delta-Sigma ($\Delta\Sigma$) ADCs. Recurrent Neural Networks (RNNs) allow to describe both modulators and filters. This analogy is applied to Incremental ADCs (IADC). High-end optimizers combined with full-custom losses are used to define additional hardware design constraints: quantized weights, signal saturation, temporal noise injection, devices area. Focusing on DC conversion, our early results demonstrate that $SNR$ defined as an Effective Number Of Bits (ENOB) can be optimized under a certain hardware mapping complexity. The proposed RCNet succeeded to provide design tradeoffs in terms of $SNR$ ($>$13bit) versus area constraints ($<$14pF total capacitor) at a given $OSR$ (80 samples). Interestingly, it appears that the best RCNet architectures do not necessarily rely on high-order modulators, leveraging additional topology exploration degrees of freedom.
☆ With Limited Data for Multimodal Alignment, Let the STRUCTURE Guide You
Multimodal models have demonstrated powerful capabilities in complex tasks requiring multimodal alignment including zero-shot classification and cross-modal retrieval. However, existing models typically rely on millions of paired multimodal samples, which are prohibitively expensive or infeasible to obtain in many domains. In this work, we explore the feasibility of building multimodal models with limited amount of paired data by aligning pretrained unimodal foundation models. We show that high-quality alignment is possible with as few as tens of thousands of paired samples$\unicode{x2013}$less than $1\%$ of the data typically used in the field. To achieve this, we introduce STRUCTURE, an effective regularization technique that preserves the neighborhood geometry of the latent space of unimodal encoders. Additionally, we show that aligning last layers is often suboptimal and demonstrate the benefits of aligning the layers with the highest representational similarity across modalities. These two components can be readily incorporated into existing alignment methods, yielding substantial gains across 24 zero-shot image classification and retrieval benchmarks, with average relative improvement of $51.6\%$ in classification and $91.8\%$ in retrieval tasks. Our results highlight the effectiveness and broad applicability of our framework for limited-sample multimodal learning and offer a promising path forward for resource-constrained domains.
☆ From Lab to Factory: Pitfalls and Guidelines for Self-/Unsupervised Defect Detection on Low-Quality Industrial Images KDD '25
The detection and localization of quality-related problems in industrially mass-produced products has historically relied on manual inspection, which is costly and error-prone. Machine learning has the potential to replace manual handling. As such, the desire is to facilitate an unsupervised (or self-supervised) approach, as it is often impossible to specify all conceivable defects ahead of time. A plethora of prior works have demonstrated the aptitude of common reconstruction-, embedding-, and synthesis-based methods in laboratory settings. However, in practice, we observe that most methods do not handle low data quality well or exude low robustness in unfavorable, but typical real-world settings. For practitioners it may be very difficult to identify the actual underlying problem when such methods underperform. Worse, often-reported metrics (e.g., AUROC) are rarely suitable in practice and may give misleading results. In our setting, we attempt to identify subtle anomalies on the surface of blasted forged metal parts, using rather low-quality RGB imagery only, which is a common industrial setting. We specifically evaluate two types of state-of-the-art models that allow us to identify and improve quality issues in production data, without having to obtain new data. Our contribution is to provide guardrails for practitioners that allow them to identify problems related to, e.g., (lack of) robustness or invariance, in either the chosen model or the data reliably in similar scenarios. Furthermore, we exemplify common pitfalls in and shortcomings of likelihood-based approaches and outline a framework for proper empirical risk estimation that is more suitable for real-world scenarios.
comment: 18 pages, 7 figures, 1 table. Camera-ready version for the 2025 conference European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD '25)
☆ The Importance of Being Lazy: Scaling Limits of Continual Learning
Despite recent efforts, neural networks still struggle to learn in non-stationary environments, and our understanding of catastrophic forgetting (CF) is far from complete. In this work, we perform a systematic study on the impact of model scale and the degree of feature learning in continual learning. We reconcile existing contradictory observations on scale in the literature, by differentiating between lazy and rich training regimes through a variable parameterization of the architecture. We show that increasing model width is only beneficial when it reduces the amount of feature learning, yielding more laziness. Using the framework of dynamical mean field theory, we then study the infinite width dynamics of the model in the feature learning regime and characterize CF, extending prior theoretical results limited to the lazy regime. We study the intricate relationship between feature learning, task non-stationarity, and forgetting, finding that high feature learning is only beneficial with highly similar tasks. We identify a transition modulated by task similarity where the model exits an effectively lazy regime with low forgetting to enter a rich regime with significant forgetting. Finally, our findings reveal that neural networks achieve optimal performance at a critical level of feature learning, which depends on task non-stationarity and transfers across model scales. This work provides a unified perspective on the role of scale and feature learning in continual learning.
comment: Proceedings of the 42nd International Conference on Machine Learning (2025). JG and AB contributed equally to this work
☆ Optimal Depth of Neural Networks
Determining the optimal depth of a neural network is a fundamental yet challenging problem, typically resolved through resource-intensive experimentation. This paper introduces a formal theoretical framework to address this question by recasting the forward pass of a deep network, specifically a Residual Network (ResNet), as an optimal stopping problem. We model the layer-by-layer evolution of hidden representations as a sequential decision process where, at each layer, a choice is made between halting computation to make a prediction or continuing to a deeper layer for a potentially more refined representation. This formulation captures the intrinsic trade-off between accuracy and computational cost. Our primary theoretical contribution is a proof that, under a plausible condition of diminishing returns on the residual functions, the expected optimal stopping depth is provably finite, even in an infinite-horizon setting. We leverage this insight to propose a novel and practical regularization term, $\mathcal{L}_{\rm depth}$, that encourages the network to learn representations amenable to efficient, early exiting. We demonstrate the generality of our framework by extending it to the Transformer architecture and exploring its connection to continuous-depth models via free-boundary problems. Empirical validation on ImageNet confirms that our regularizer successfully induces the theoretically predicted behavior, leading to significant gains in computational efficiency without compromising, and in some cases improving, final model accuracy.
☆ Anomaly Detection in Event-triggered Traffic Time Series via Similarity Learning
Time series analysis has achieved great success in cyber security such as intrusion detection and device identification. Learning similarities among multiple time series is a crucial problem since it serves as the foundation for downstream analysis. Due to the complex temporal dynamics of the event-triggered time series, it often remains unclear which similarity metric is appropriate for security-related tasks, such as anomaly detection and clustering. The overarching goal of this paper is to develop an unsupervised learning framework that is capable of learning similarities among a set of event-triggered time series. From the machine learning vantage point, the proposed framework harnesses the power of both hierarchical multi-resolution sequential autoencoders and the Gaussian Mixture Model (GMM) to effectively learn the low-dimensional representations from the time series. Finally, the obtained similarity measure can be easily visualized for the explanation. The proposed framework aspires to offer a stepping stone that gives rise to a systematic approach to model and learn similarities among a multitude of event-triggered time series. Through extensive qualitative and quantitative experiments, it is revealed that the proposed method outperforms state-of-the-art methods considerably.
comment: 16 pages, 14 figures. Published in IEEE Transactions on Dependable and Secure Computing. arXiv admin note: substantial text overlap with arXiv:2207.08159
☆ Reward-Agnostic Prompt Optimization for Text-to-Image Diffusion Models
We investigate a general approach for improving user prompts in text-to-image (T2I) diffusion models by finding prompts that maximize a reward function specified at test-time. Although diverse reward models are used for evaluating image generation, existing automated prompt engineering methods typically target specific reward configurations. Consequently, these specialized designs exhibit suboptimal performance when applied to new prompt engineering scenarios involving different reward models. To address this limitation, we introduce RATTPO (Reward-Agnostic Test-Time Prompt Optimization), a flexible test-time optimization method applicable across various reward scenarios without modification. RATTPO iteratively searches for optimized prompts by querying large language models (LLMs) \textit{without} requiring reward-specific task descriptions. Instead, it uses the optimization trajectory and a novel reward-aware feedback signal (termed a "hint") as context. Empirical results demonstrate the versatility of RATTPO, effectively enhancing user prompts across diverse reward setups that assess various generation aspects, such as aesthetics, general human preference, or spatial relationships between objects. RATTPO surpasses other test-time search baselines in search efficiency, using up to 3.5 times less inference budget, and, given sufficient inference budget, achieves performance comparable to learning-based baselines that require reward-specific fine-tuning. The code is available at https://github.com/seminkim/RATTPO.
comment: 28 pages, Under review
☆ Soft decision trees for survival analysis
Decision trees are popular in survival analysis for their interpretability and ability to model complex relationships. Survival trees, which predict the timing of singular events using censored historical data, are typically built through heuristic approaches. Recently, there has been growing interest in globally optimized trees, where the overall tree is trained by minimizing the error function over all its parameters. We propose a new soft survival tree model (SST), with a soft splitting rule at each branch node, trained via a nonlinear optimization formulation amenable to decomposition. Since SSTs provide for every input vector a specific survival function associated to a single leaf node, they satisfy the conditional computation property and inherit the related benefits. SST and the training formulation combine flexibility with interpretability: any smooth survival function (parametric, semiparametric, or nonparametric) estimated through maximum likelihood can be used, and each leaf node of an SST yields a cluster of distinct survival functions which are associated to the data points routed to it. Numerical experiments on 15 well-known datasets show that SSTs, with parametric and spline-based semiparametric survival functions, trained using an adaptation of the node-based decomposition algorithm proposed by Consolo et al. (2024) for soft regression trees, outperform three benchmark survival trees in terms of four widely-used discrimination and calibration measures. SSTs can also be extended to consider group fairness.
☆ Bandwidth Selectors on Semiparametric Bayesian Networks
Semiparametric Bayesian networks (SPBNs) integrate parametric and non-parametric probabilistic models, offering flexibility in learning complex data distributions from samples. In particular, kernel density estimators (KDEs) are employed for the non-parametric component. Under the assumption of data normality, the normal rule is used to learn the bandwidth matrix for the KDEs in SPBNs. This matrix is the key hyperparameter that controls the trade-off between bias and variance. However, real-world data often deviates from normality, potentially leading to suboptimal density estimation and reduced predictive performance. This paper first establishes the theoretical framework for the application of state-of-the-art bandwidth selectors and subsequently evaluates their impact on SPBN performance. We explore the approaches of cross-validation and plug-in selectors, assessing their effectiveness in enhancing the learning capability and applicability of SPBNs. To support this investigation, we have extended the open-source package PyBNesian for SPBNs with the additional bandwidth selection techniques and conducted extensive experimental analyses. Our results demonstrate that the proposed bandwidth selectors leverage increasing information more effectively than the normal rule, which, despite its robustness, stagnates with more data. In particular, unbiased cross-validation generally outperforms the normal rule, highlighting its advantage in high sample size scenarios.
comment: 37 pages, 15 figures. Submitted to Information Sciences
☆ FedFitTech: A Baseline in Federated Learning for Fitness Tracking
Rapid evolution of sensors and resource-efficient machine learning models have spurred the widespread adoption of wearable fitness tracking devices. Equipped with inertial sensors, such devices can continuously capture physical movements for fitness technology (FitTech), enabling applications from sports optimization to preventive healthcare. Traditional centralized learning approaches to detect fitness activities struggle with privacy concerns, regulatory constraints, and communication inefficiencies. In contrast, Federated Learning (FL) enables a decentralized model training by communicating model updates rather than private wearable sensor data. Applying FL to FitTech presents unique challenges, such as data imbalance, lack of labelled data, heterogeneous user activity patterns, and trade-offs between personalization and generalization. To simplify research on FitTech in FL, we present the FedFitTech baseline, under the Flower framework, which is publicly available and widely used by both industry and academic researchers. Additionally, to illustrate its usage, this paper presents a case study that implements a system based on the FedFitTech baseline, incorporating a client-side early stopping strategy and comparing the results. For instance, this system allows wearable devices to optimize the trade-off between capturing common fitness activity patterns and preserving individuals' nuances, thereby enhancing both the scalability and efficiency of privacy-aware fitness tracking applications. Results show that this reduces overall redundant communications by 13 percent, while maintaining the overall recognition performance at a negligible recognition cost by 1 percent. Thus, FedFitTech baseline creates a foundation for a wide range of new research and development opportunities in FitTech, and it is available as open-source at: https://github.com/adap/flower/tree/main/baselines/fedfittech
comment: This submission includes a total of 7 pages and 6 figures
☆ Beyond Blur: A Fluid Perspective on Generative Diffusion Models
We propose a novel PDE-driven corruption process for generative image synthesis based on advection-diffusion processes which generalizes existing PDE-based approaches. Our forward pass formulates image corruption via a physically motivated PDE that couples directional advection with isotropic diffusion and Gaussian noise, controlled by dimensionless numbers (Peclet, Fourier). We implement this PDE numerically through a GPU-accelerated custom Lattice Boltzmann solver for fast evaluation. To induce realistic turbulence, we generate stochastic velocity fields that introduce coherent motion and capture multi-scale mixing. In the generative process, a neural network learns to reverse the advection-diffusion operator thus constituting a novel generative model. We discuss how previous methods emerge as specific cases of our operator, demonstrating that our framework generalizes prior PDE-based corruption techniques. We illustrate how advection improves the diversity and quality of the generated images while keeping the overall color palette unaffected. This work bridges fluid dynamics, dimensionless PDE theory, and deep generative modeling, offering a fresh perspective on physically informed image corruption processes for diffusion-based synthesis.
comment: 11 pages, 8 figures, pre-print, supplementary pseudocode in appendix
☆ Predicting New Research Directions in Materials Science using Large Language Models and Concept Graphs
Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs) for the purpose of extracting the main concepts and semantic information from scientific abstracts in the domain of materials science to find links that were not noticed by humans and thus to suggest inspiring near/mid-term future research directions. We show that LLMs can extract concepts more efficiently than automated keyword extraction methods to build a concept graph as an abstraction of the scientific literature. A machine learning model is trained to predict emerging combinations of concepts, i.e. new research ideas, based on historical data. We demonstrate that integrating semantic concept information leads to an increased prediction performance. The applicability of our model is demonstrated in qualitative interviews with domain experts based on individualized model suggestions. We show that the model can inspire materials scientists in their creative thinking process by predicting innovative combinations of topics that have not yet been investigated.
☆ Robust Group Anomaly Detection for Quasi-Periodic Network Time Series
Many real-world multivariate time series are collected from a network of physical objects embedded with software, electronics, and sensors. The quasi-periodic signals generated by these objects often follow a similar repetitive and periodic pattern, but have variations in the period, and come in different lengths caused by timing (synchronization) errors. Given a multitude of such quasi-periodic time series, can we build machine learning models to identify those time series that behave differently from the majority of the observations? In addition, can the models help human experts to understand how the decision was made? We propose a sequence to Gaussian Mixture Model (seq2GMM) framework. The overarching goal of this framework is to identify unusual and interesting time series within a network time series database. We further develop a surrogate-based optimization algorithm that can efficiently train the seq2GMM model. Seq2GMM exhibits strong empirical performance on a plurality of public benchmark datasets, outperforming state-of-the-art anomaly detection techniques by a significant margin. We also theoretically analyze the convergence property of the proposed training algorithm and provide numerical results to substantiate our theoretical claims.
comment: Published in IEEE Transactions on Network Science and Engineering
☆ TabArena: A Living Benchmark for Machine Learning on Tabular Data
With the growing popularity of deep learning and foundation models for tabular data, the need for standardized and reliable benchmarks is higher than ever. However, current benchmarks are static. Their design is not updated even if flaws are discovered, model versions are updated, or new models are released. To address this, we introduce TabArena, the first continuously maintained living tabular benchmarking system. To launch TabArena, we manually curate a representative collection of datasets and well-implemented models, conduct a large-scale benchmarking study to initialize a public leaderboard, and assemble a team of experienced maintainers. Our results highlight the influence of validation method and ensembling of hyperparameter configurations to benchmark models at their full potential. While gradient-boosted trees are still strong contenders on practical tabular datasets, we observe that deep learning methods have caught up under larger time budgets with ensembling. At the same time, foundation models excel on smaller datasets. Finally, we show that ensembles across models advance the state-of-the-art in tabular machine learning and investigate the contributions of individual models. We launch TabArena with a public leaderboard, reproducible code, and maintenance protocols to create a living benchmark available at https://tabarena.ai.
comment: 51 pages. Code available at https://tabarena.ai/code; examples at https://tabarena.ai/code-examples; dataset curation at https://tabarena.ai/data-tabular-ml-iid-study and https://tabarena.ai/dataset-curation
☆ Exploring and Improving Initialization for Deep Graph Neural Networks: A Signal Propagation Perspective
Graph Neural Networks (GNNs) often suffer from performance degradation as the network depth increases. This paper addresses this issue by introducing initialization methods that enhance signal propagation (SP) within GNNs. We propose three key metrics for effective SP in GNNs: forward propagation, backward propagation, and graph embedding variation (GEV). While the first two metrics derive from classical SP theory, the third is specifically designed for GNNs. We theoretically demonstrate that a broad range of commonly used initialization methods for GNNs, which exhibit performance degradation with increasing depth, fail to control these three metrics simultaneously. To deal with this limitation, a direct exploitation of the SP analysis--searching for weight initialization variances that optimize the three metrics--is shown to significantly enhance the SP in deep GCNs. This approach is called Signal Propagation on Graph-guided Initialization (SPoGInit). Our experiments demonstrate that SPoGInit outperforms commonly used initialization methods on various tasks and architectures. Notably, SPoGInit enables performance improvements as GNNs deepen, which represents a significant advancement in addressing depth-related challenges and highlights the validity and effectiveness of the SP analysis framework.
comment: Published in TMLR (2025)
☆ Revisiting LoRA through the Lens of Parameter Redundancy: Spectral Encoding Helps ACL 2025
Low-Rank Adaptation (LoRA) has emerged as a prominent technique for fine-tuning large foundation models. Despite its successes, the substantial parameter redundancy, which limits the capacity and efficiency of LoRA, has been recognized as a bottleneck. In this work, we systematically investigate the impact of redundancy in fine-tuning LoRA and reveal that reducing density redundancy does not degrade expressiveness. Based on this insight, we introduce \underline{S}pectral-\underline{e}ncoding \underline{L}ow-\underline{R}ank \underline{A}daptation (SeLoRA), which harnesses the robust expressiveness of spectral bases to re-parameterize LoRA from a sparse spectral subspace. Designed with simplicity, SeLoRA enables seamless integration with various LoRA variants for performance boosting, serving as a scalable plug-and-play framework. Extensive experiments substantiate that SeLoRA achieves greater efficiency with fewer parameters, delivering superior performance enhancements over strong baselines on various downstream tasks, including commonsense reasoning, math reasoning, and code generation.
comment: 18 pages; Accepted to ACL 2025 Findings
☆ What Is the Point of Equality in Machine Learning Fairness? Beyond Equality of Opportunity
Fairness in machine learning (ML) has become a rapidly growing area of research. But why, in the first place, is unfairness in ML morally wrong? And why should we care about improving fairness? Most fair-ML research implicitly appeals to distributive equality: the idea that desirable goods and benefits, such as opportunities (e.g., Barocas et al., 2023), should be equally distributed across society. Unfair ML models, then, are seen as wrong because they unequally distribute such benefits. This paper argues that this exclusive focus on distributive equality offers an incomplete and potentially misleading ethical foundation. Grounding ML fairness in egalitarianism -- the view that equality is a fundamental moral and social ideal -- requires challenging structural inequality: systematic, institutional, and durable arrangements that privilege some groups while disadvantaging others. Structural inequality manifests through ML systems in two primary forms: allocative harms (e.g., economic loss) and representational harms (e.g., stereotypes, erasure). While distributive equality helps address allocative harms, it fails to explain why representational harms are wrong -- why it is wrong for ML systems to reinforce social hierarchies that stratify people into superior and inferior groups -- and why ML systems should aim to foster a society where people relate as equals (i.e., relational equality). To address these limitations, the paper proposes a multifaceted egalitarian framework for ML fairness that integrates both distributive and relational equality. Drawing on critical social and political philosophy, this framework offers a more comprehensive ethical foundation for tackling the full spectrum of harms perpetuated by ML systems. The paper also outlines practical pathways for implementing the framework across the ML pipeline.
comment: Accepted for presentation at ACM FAccT 2025; under final review (minor revision) at an ACM journal
☆ Metapath-based Hyperbolic Contrastive Learning for Heterogeneous Graph Embedding
The hyperbolic space, characterized by a constant negative curvature and exponentially expanding space, aligns well with the structural properties of heterogeneous graphs. However, although heterogeneous graphs inherently possess diverse power-law structures, most hyperbolic heterogeneous graph embedding models rely on a single hyperbolic space. This approach may fail to effectively capture the diverse power-law structures within heterogeneous graphs. To address this limitation, we propose a Metapath-based Hyperbolic Contrastive Learning framework (MHCL), which uses multiple hyperbolic spaces to capture diverse complex structures within heterogeneous graphs. Specifically, by learning each hyperbolic space to describe the distribution of complex structures corresponding to each metapath, it is possible to capture semantic information effectively. Since metapath embeddings represent distinct semantic information, preserving their discriminability is important when aggregating them to obtain node representations. Therefore, we use a contrastive learning approach to optimize MHCL and improve the discriminability of metapath embeddings. In particular, our contrastive learning method minimizes the distance between embeddings of the same metapath and maximizes the distance between those of different metapaths in hyperbolic space, thereby improving the separability of metapath embeddings with distinct semantic information. We conduct comprehensive experiments to evaluate the effectiveness of MHCL. The experimental results demonstrate that MHCL outperforms state-of-the-art baselines in various graph machine learning tasks, effectively capturing the complex structures of heterogeneous graphs.
comment: 14 pages, 9 figures
☆ Off-Policy Actor-Critic for Adversarial Observation Robustness: Virtual Alternative Training via Symmetric Policy Evaluation ICML2025
Recently, robust reinforcement learning (RL) methods designed to handle adversarial input observations have received significant attention, motivated by RL's inherent vulnerabilities. While existing approaches have demonstrated reasonable success, addressing worst-case scenarios over long time horizons requires both minimizing the agent's cumulative rewards for adversaries and training agents to counteract them through alternating learning. However, this process introduces mutual dependencies between the agent and the adversary, making interactions with the environment inefficient and hindering the development of off-policy methods. In this work, we propose a novel off-policy method that eliminates the need for additional environmental interactions by reformulating adversarial learning as a soft-constrained optimization problem. Our approach is theoretically supported by the symmetric property of policy evaluation between the agent and the adversary. The implementation is available at https://github.com/nakanakakosuke/VALT_SAC.
comment: ICML2025 poster, 39 pages, 6 figures, 13 tables. arXiv admin note: text overlap with arXiv:2409.00418
☆ IsoNet: Causal Analysis of Multimodal Transformers for Neuromuscular Gesture Classification
Hand gestures are a primary output of the human motor system, yet the decoding of their neuromuscular signatures remains a bottleneck for basic neuroscience and assistive technologies such as prosthetics. Traditional human-machine interface pipelines rely on a single biosignal modality, but multimodal fusion can exploit complementary information from sensors. We systematically compare linear and attention-based fusion strategies across three architectures: a Multimodal MLP, a Multimodal Transformer, and a Hierarchical Transformer, evaluating performance on scenarios with unimodal and multimodal inputs. Experiments use two publicly available datasets: NinaPro DB2 (sEMG and accelerometer) and HD-sEMG 65-Gesture (high-density sEMG and force). Across both datasets, the Hierarchical Transformer with attention-based fusion consistently achieved the highest accuracy, surpassing the multimodal and best single-modality linear-fusion MLP baseline by over 10% on NinaPro DB2 and 3.7% on HD-sEMG. To investigate how modalities interact, we introduce an Isolation Network that selectively silences unimodal or cross-modal attention pathways, quantifying each group of token interactions' contribution to downstream decisions. Ablations reveal that cross-modal interactions contribute approximately 30% of the decision signal across transformer layers, highlighting the importance of attention-driven fusion in harnessing complementary modality information. Together, these findings reveal when and how multimodal fusion would enhance biosignal classification and also provides mechanistic insights of human muscle activities. The study would be beneficial in the design of sensor arrays for neurorobotic systems.
☆ Optimism Without Regularization: Constant Regret in Zero-Sum Games
This paper studies the optimistic variant of Fictitious Play for learning in two-player zero-sum games. While it is known that Optimistic FTRL -- a regularized algorithm with a bounded stepsize parameter -- obtains constant regret in this setting, we show for the first time that similar, optimal rates are also achievable without regularization: we prove for two-strategy games that Optimistic Fictitious Play (using any tiebreaking rule) obtains only constant regret, providing surprising new evidence on the ability of non-no-regret algorithms for fast learning in games. Our proof technique leverages a geometric view of Optimistic Fictitious Play in the dual space of payoff vectors, where we show a certain energy function of the iterates remains bounded over time. Additionally, we also prove a regret lower bound of $\Omega(\sqrt{T})$ for Alternating Fictitious Play. In the unregularized regime, this separates the ability of optimism and alternation in achieving $o(\sqrt{T})$ regret.
☆ On Training-Test (Mis)alignment in Unsupervised Combinatorial Optimization: Observation, Empirical Exploration, and Analysis ICML 2025
In unsupervised combinatorial optimization (UCO), during training, one aims to have continuous decisions that are promising in a probabilistic sense for each training instance, which enables end-to-end training on initially discrete and non-differentiable problems. At the test time, for each test instance, starting from continuous decisions, derandomization is typically applied to obtain the final deterministic decisions. Researchers have developed more and more powerful test-time derandomization schemes to enhance the empirical performance and the theoretical guarantee of UCO methods. However, we notice a misalignment between training and testing in the existing UCO methods. Consequently, lower training losses do not necessarily entail better post-derandomization performance, even for the training instances without any data distribution shift. Empirically, we indeed observe such undesirable cases. We explore a preliminary idea to better align training and testing in UCO by including a differentiable version of derandomization into training. Our empirical exploration shows that such an idea indeed improves training-test alignment, but also introduces nontrivial challenges into training.
comment: 2nd Workshop on Test-Time Adaptation: Putting Updates to the Test @ ICML 2025
☆ Incentivizing High-quality Participation From Federated Learning Agents
Federated learning (FL) provides a promising paradigm for facilitating collaboration between multiple clients that jointly learn a global model without directly sharing their local data. However, existing research suffers from two caveats: 1) From the perspective of agents, voluntary and unselfish participation is often assumed. But self-interested agents may opt out of the system or provide low-quality contributions without proper incentives; 2) From the mechanism designer's perspective, the aggregated models can be unsatisfactory as the existing game-theoretical federated learning approach for data collection ignores the potential heterogeneous effort caused by contributed data. To alleviate above challenges, we propose an incentive-aware framework for agent participation that considers data heterogeneity to accelerate the convergence process. Specifically, we first introduce the notion of Wasserstein distance to explicitly illustrate the heterogeneous effort and reformulate the existing upper bound of convergence. To induce truthful reporting from agents, we analyze and measure the generalization error gap of any two agents by leveraging the peer prediction mechanism to develop score functions. We further present a two-stage Stackelberg game model that formalizes the process and examines the existence of equilibrium. Extensive experiments on real-world datasets demonstrate the effectiveness of our proposed mechanism.
☆ TriCon-SF: A Triple-Shuffle and Contribution-Aware Serial Federated Learning Framework for Heterogeneous Healthcare Data
Serial pipeline training is an efficient paradigm for handling data heterogeneity in cross-silo federated learning with low communication overhead. However, even without centralized aggregation, direct transfer of models between clients can violate privacy regulations and remain susceptible to gradient leakage and linkage attacks. Additionally, ensuring resilience against semi-honest or malicious clients who may manipulate or misuse received models remains a grand challenge, particularly in privacy-sensitive domains such as healthcare. To address these challenges, we propose TriCon-SF, a novel serial federated learning framework that integrates triple shuffling and contribution awareness. TriCon-SF introduces three levels of randomization by shuffling model layers, data segments, and training sequences to break deterministic learning patterns and disrupt potential attack vectors, thereby enhancing privacy and robustness. In parallel, it leverages Shapley value methods to dynamically evaluate client contributions during training, enabling the detection of dishonest behavior and enhancing system accountability. Extensive experiments on non-IID healthcare datasets demonstrate that TriCon-SF outperforms standard serial and parallel federated learning in both accuracy and communication efficiency. Security analysis further supports its resilience against client-side privacy attacks.
☆ How Many Domains Suffice for Domain Generalization? A Tight Characterization via the Domain Shattering Dimension
We study a fundamental question of domain generalization: given a family of domains (i.e., data distributions), how many randomly sampled domains do we need to collect data from in order to learn a model that performs reasonably well on every seen and unseen domain in the family? We model this problem in the PAC framework and introduce a new combinatorial measure, which we call the domain shattering dimension. We show that this dimension characterizes the domain sample complexity. Furthermore, we establish a tight quantitative relationship between the domain shattering dimension and the classic VC dimension, demonstrating that every hypothesis class that is learnable in the standard PAC setting is also learnable in our setting.
☆ SIDE: Semantic ID Embedding for effective learning from sequences
Sequence-based recommendations models are driving the state-of-the-art for industrial ad-recommendation systems. Such systems typically deal with user histories or sequence lengths ranging in the order of O(10^3) to O(10^4) events. While adding embeddings at this scale is manageable in pre-trained models, incorporating them into real-time prediction models is challenging due to both storage and inference costs. To address this scaling challenge, we propose a novel approach that leverages vector quantization (VQ) to inject a compact Semantic ID (SID) as input to the recommendation models instead of a collection of embeddings. Our method builds on recent works of SIDs by introducing three key innovations: (i) a multi-task VQ-VAE framework, called VQ fusion that fuses multiple content embeddings and categorical predictions into a single Semantic ID; (ii) a parameter-free, highly granular SID-to-embedding conversion technique, called SIDE, that is validated with two content embedding collections, thereby eliminating the need for a large parameterized lookup table; and (iii) a novel quantization method called Discrete-PCA (DPCA) which generalizes and enhances residual quantization techniques. The proposed enhancements when applied to a large-scale industrial ads-recommendation system achieves 2.4X improvement in normalized entropy (NE) gain and 3X reduction in data footprint compared to traditional SID methods.
comment: 7 pages, 4 images, 6 tables
☆ Fast and Stable Diffusion Planning through Variational Adaptive Weighting
Diffusion models have recently shown promise in offline RL. However, these methods often suffer from high training costs and slow convergence, particularly when using transformer-based denoising backbones. While several optimization strategies have been proposed -- such as modified noise schedules, auxiliary prediction targets, and adaptive loss weighting -- challenges remain in achieving stable and efficient training. In particular, existing loss weighting functions typically rely on neural network approximators, which can be ineffective in early training phases due to limited generalization capacity of MLPs when exposed to sparse feedback in the early training stages. In this work, we derive a variationally optimal uncertainty-aware weighting function and introduce a closed-form polynomial approximation method for its online estimation under the flow-based generative modeling framework. We integrate our method into a diffusion planning pipeline and evaluate it on standard offline RL benchmarks. Experimental results on Maze2D and Kitchen tasks show that our method achieves competitive performance with up to 10 times fewer training steps, highlighting its practical effectiveness.
☆ How to Train your Text-to-Image Model: Evaluating Design Choices for Synthetic Training Captions
Training data is at the core of any successful text-to-image models. The quality and descriptiveness of image text are crucial to a model's performance. Given the noisiness and inconsistency in web-scraped datasets, recent works shifted towards synthetic training captions. While this setup is generally believed to produce more capable models, current literature does not provide any insights into its design choices. This study closes this gap by systematically investigating how different synthetic captioning strategies impact the downstream performance of text-to-image models. Our experiments demonstrate that dense, high-quality captions enhance text alignment but may introduce trade-offs in output aesthetics and diversity. Conversely, captions of randomized lengths yield balanced improvements across aesthetics and alignment without compromising sample diversity. We also demonstrate that varying caption distributions introduce significant shifts in the output bias of a trained model. Our findings underscore the importance of caption design in achieving optimal model performance and provide practical insights for more effective training data strategies in text-to-image generation.
☆ The Hitchhiker's Guide to Efficient, End-to-End, and Tight DP Auditing
This paper systematizes research on auditing Differential Privacy (DP) techniques, aiming to identify key insights into the current state of the art and open challenges. First, we introduce a comprehensive framework for reviewing work in the field and establish three cross-contextual desiderata that DP audits should target--namely, efficiency, end-to-end-ness, and tightness. Then, we systematize the modes of operation of state-of-the-art DP auditing techniques, including threat models, attacks, and evaluation functions. This allows us to highlight key details overlooked by prior work, analyze the limiting factors to achieving the three desiderata, and identify open research problems. Overall, our work provides a reusable and systematic methodology geared to assess progress in the field and identify friction points and future directions for our community to focus on.
☆ Private Training & Data Generation by Clustering Embeddings
Deep neural networks often use large, high-quality datasets to achieve high performance on many machine learning tasks. When training involves potentially sensitive data, this process can raise privacy concerns, as large models have been shown to unintentionally memorize and reveal sensitive information, including reconstructing entire training samples. Differential privacy (DP) provides a robust framework for protecting individual data and in particular, a new approach to privately training deep neural networks is to approximate the input dataset with a privately generated synthetic dataset, before any subsequent training algorithm. We introduce a novel principled method for DP synthetic image embedding generation, based on fitting a Gaussian Mixture Model (GMM) in an appropriate embedding space using DP clustering. Our method provably learns a GMM under separation conditions. Empirically, a simple two-layer neural network trained on synthetically generated embeddings achieves state-of-the-art (SOTA) classification accuracy on standard benchmark datasets. Additionally, we demonstrate that our method can generate realistic synthetic images that achieve downstream classification accuracy comparable to SOTA methods. Our method is quite general, as the encoder and decoder modules can be freely substituted to suit different tasks. It is also highly scalable, consisting only of subroutines that scale linearly with the number of samples and/or can be implemented efficiently in distributed systems.
☆ A Minimalist Optimizer Design for LLM Pretraining
Training large language models (LLMs) typically relies on adaptive optimizers such as Adam, which require significant memory to maintain first- and second-moment matrices, known as optimizer states. While recent works such as GaLore, Fira, and APOLLO have proposed state-compressed variants to reduce memory consumption, a fundamental question remains: What is the minimal amount of optimizer state that is truly necessary to retain state-of-the-art performance in LLM pretraining? In this work, we systematically investigate this question using a bottom-up approach. We find that two memory- and compute-efficient optimization techniques are particularly effective: (1) column-wise gradient normalization significantly boosts the performance of plain SGD without requiring momentum; and (2) adding first-order momentum only to the output layer - where gradient variance is highest - yields performance competitive with fully adaptive methods such as Muon. Based on these insights, we propose SCALE (Stochastic Column-normalized Last-layer Momentum), a new optimizer that combines column-normalized SGD with last-layer momentum, where column normalization refers to normalizing the gradient along the output dimension. Across multiple LLaMA models (60M-1B), SCALE matches or exceeds the performance of Adam while using only 35-45% of the total memory. It also consistently outperforms memory-efficient optimizers such as GaLore, Fira, and APOLLO, making it a strong candidate for large-scale pretraining under memory constraints. For the LLaMA 7B model, SCALE outperforms the state-of-the-art method APOLLO in terms of both perplexity and memory consumption. In addition, our method serves as a minimalist baseline for more sophisticated optimizer design.
☆ Multi-Armed Bandits With Machine Learning-Generated Surrogate Rewards
Multi-armed bandit (MAB) is a widely adopted framework for sequential decision-making under uncertainty. Traditional bandit algorithms rely solely on online data, which tends to be scarce as it must be gathered during the online phase when the arms are actively pulled. However, in many practical settings, rich auxiliary data, such as covariates of past users, is available prior to deploying any arms. We introduce a new setting for MAB where pre-trained machine learning (ML) models are applied to convert side information and historical data into \emph{surrogate rewards}. A prominent feature of this setting is that the surrogate rewards may exhibit substantial bias, as true reward data is typically unavailable in the offline phase, forcing ML predictions to heavily rely on extrapolation. To address the issue, we propose the Machine Learning-Assisted Upper Confidence Bound (MLA-UCB) algorithm, which can be applied to any reward prediction model and any form of auxiliary data. When the predicted and true rewards are jointly Gaussian, it provably improves the cumulative regret, provided that the correlation is non-zero -- even in cases where the mean surrogate reward completely misaligns with the true mean rewards. Notably, our method requires no prior knowledge of the covariance matrix between true and surrogate rewards. We compare MLA-UCB with the standard UCB on a range of numerical studies and show a sizable efficiency gain even when the size of the offline data and the correlation between predicted and true rewards are moderate.
☆ Mesh-Informed Neural Operator : A Transformer Generative Approach
Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While functional generative models are theoretically domain- and discretization-agnostic, current implementations heavily rely on the Fourier Neural Operator (FNO), limiting their applicability to regular grids and rectangular domains. To overcome these critical limitations, we introduce the Mesh-Informed Neural Operator (MINO). By leveraging graph neural operators and cross-attention mechanisms, MINO offers a principled, domain- and discretization-agnostic backbone for generative modeling in function spaces. This advancement significantly expands the scope of such models to more diverse applications in generative, inverse, and regression tasks. Furthermore, MINO provides a unified perspective on integrating neural operators with general advanced deep learning architectures. Finally, we introduce a suite of standardized evaluation metrics that enable objective comparison of functional generative models, addressing another critical gap in the field.
♻ ☆ AQA-Bench: An Interactive Benchmark for Evaluating LLMs' Sequential Reasoning Ability
This paper introduces AQA-Bench, a novel benchmark to assess the sequential reasoning capabilities of large language models (LLMs) in algorithmic contexts, such as depth-first search (DFS). The key feature of our evaluation benchmark lies in its interactive evaluation protocol - for example, in DFS, the availability of each node's connected edge is contingent upon the model's traversal to that node, thereby necessitating the LLM's ability to effectively remember visited nodes and strategize subsequent moves considering the possible environmental feedback in the future steps. We comprehensively build AQA-Bench with three different algorithms, namely binary search, depth-first search, and breadth-first search, and to evaluate the sequential reasoning ability of 14 different LLMs. Our investigations reveal several interesting findings: (1) Closed-source models like GPT-4 and Gemini generally show much stronger sequential reasoning ability, significantly outperforming open-source LLMs. (2) Naively providing in-context examples may inadvertently hurt few-shot performance in an interactive environment due to over-fitting to examples. (3) Instead of using optimal steps from another test case as the in-context example, a very limited number of predecessor steps in the current test case following the optimal policy can substantially boost small models' performance. (4) The performance gap between weak models and strong models is greatly due to the incapability of weak models to start well. (5) The scaling correlation between performance and model size is not always significant, sometimes even showcasing an inverse trend. We hope our study can catalyze future work on advancing the understanding and enhancement of LLMs' capabilities in sequential reasoning. The code is available at https://github.com/UCSC-VLAA/AQA-Bench.
♻ ☆ DAL: A Practical Prior-Free Black-Box Framework for Non-Stationary Bandit Environments
We introduce a practical, black-box framework termed Detection Augmenting Learning (DAL) for the problem of non-stationary bandits without prior knowledge of the underlying non-stationarity. DAL is modular, accepting any stationary bandit algorithm as input and augmenting it with a change detector. Our approach is applicable to all common parametric and non-parametric bandit variants. Extensive experimentation demonstrates that DAL consistently surpasses current state-of-the-art methods across diverse non-stationary scenarios, including synthetic benchmarks and real-world datasets, underscoring its versatility and scalability. We provide theoretical insights into DAL's strong empirical performance on piecewise stationary and drift settings, complemented by thorough experimental validation.
comment: 20 pages, 8 figures, added Acknowledgments
♻ ☆ Convergent Linear Representations of Emergent Misalignment
Fine-tuning large language models on narrow datasets can cause them to develop broadly misaligned behaviours: a phenomena known as emergent misalignment. However, the mechanisms underlying this misalignment, and why it generalizes beyond the training domain, are poorly understood, demonstrating critical gaps in our knowledge of model alignment. In this work, we train and study a minimal model organism which uses just 9 rank-1 adapters to emergently misalign Qwen2.5-14B-Instruct. Studying this, we find that different emergently misaligned models converge to similar representations of misalignment. We demonstrate this convergence by extracting a 'misalignment direction' from one fine-tuned model's activations, and using it to effectively ablate misaligned behaviour from fine-tunes using higher dimensional LoRAs and different datasets. Leveraging the scalar hidden state of rank-1 LoRAs, we further present a set of experiments for directly interpreting the fine-tuning adapters, showing that six contribute to general misalignment, while two specialise for misalignment in just the fine-tuning domain. Emergent misalignment is a particularly salient example of undesirable and unexpected model behaviour and by advancing our understanding of the mechanisms behind it, we hope to move towards being able to better understand and mitigate misalignment more generally.
♻ ☆ A Minimalist Method for Fine-tuning Text-to-Image Diffusion Models
Recent work uses reinforcement learning (RL) to fine-tune text-to-image diffusion models, improving text-image alignment and sample quality. However, existing approaches introduce unnecessary complexity: they cache the full sampling trajectory, depend on differentiable reward models or large preference datasets, or require specialized guidance techniques. Motivated by the "golden noise" hypothesis -- that certain initial noise samples can consistently yield superior alignment -- we introduce Noise PPO, a minimalist RL algorithm that leaves the pre-trained diffusion model entirely frozen and learns a prompt-conditioned initial noise generator. Our approach requires no trajectory storage, reward backpropagation, or complex guidance tricks. Extensive experiments show that optimizing the initial noise distribution consistently improves alignment and sample quality over the original model, with the most significant gains at low inference steps. As the number of inference steps increases, the benefit of noise optimization diminishes but remains present. These findings clarify the scope and limitations of the golden noise hypothesis and reinforce the practical value of minimalist RL fine-tuning for diffusion models.
comment: 17 pages, 6 figures
♻ ☆ Watermarking Language Models through Language Models
Watermarking the outputs of large language models (LLMs) is critical for provenance tracing, content regulation, and model accountability. Existing approaches often rely on access to model internals or are constrained by static rules and token-level perturbations. Moreover, the idea of steering generative behavior via prompt-based instruction control remains largely underexplored. We introduce a prompt-guided watermarking framework that operates entirely at the input level and requires no access to model parameters or decoding logits. The framework comprises three cooperating components: a Prompting LM that synthesizes watermarking instructions from user prompts, a Marking LM that generates watermarked outputs conditioned on these instructions, and a Detecting LM trained to classify whether a response carries an embedded watermark. This modular design enables dynamic watermarking that adapts to individual prompts while remaining compatible with diverse LLM architectures, including both proprietary and open-weight models. We evaluate the framework over 25 combinations of Prompting and Marking LMs, such as GPT-4o, Mistral, LLaMA3, and DeepSeek. Experimental results show that watermark signals generalize across architectures and remain robust under fine-tuning, model distillation, and prompt-based adversarial attacks, demonstrating the effectiveness and robustness of the proposed approach.
♻ ☆ Domain Specific Benchmarks for Evaluating Multimodal Large Language Models
Large language models (LLMs) are increasingly being deployed across disciplines due to their advanced reasoning and problem solving capabilities. To measure their effectiveness, various benchmarks have been developed that measure aspects of LLM reasoning, comprehension, and problem-solving. While several surveys address LLM evaluation and benchmarks, a domain-specific analysis remains underexplored in the literature. This paper introduces a taxonomy of seven key disciplines, encompassing various domains and application areas where LLMs are extensively utilized. Additionally, we provide a comprehensive review of LLM benchmarks and survey papers within each domain, highlighting the unique capabilities of LLMs and the challenges faced in their application. Finally, we compile and categorize these benchmarks by domain to create an accessible resource for researchers, aiming to pave the way for advancements toward artificial general intelligence (AGI)
♻ ☆ Diffusion & Adversarial Schrödinger Bridges via Iterative Proportional Markovian Fitting
The Iterative Markovian Fitting (IMF) procedure, which iteratively projects onto the space of Markov processes and the reciprocal class, successfully solves the Schr\"odinger Bridge (SB) problem. However, an efficient practical implementation requires a heuristic modification - alternating between fitting forward and backward time diffusion at each iteration. This modification is crucial for stabilizing training and achieving reliable results in applications such as unpaired domain translation. Our work reveals a close connection between the modified version of IMF and the Iterative Proportional Fitting (IPF) procedure - a foundational method for the SB problem, also known as Sinkhorn's algorithm. Specifically, we demonstrate that the heuristic modification of the IMF effectively integrates both IMF and IPF procedures. We refer to this combined approach as the Iterative Proportional Markovian Fitting (IPMF) procedure. Through theoretical and empirical analysis, we establish the convergence of IPMF procedure under various settings, contributing to developing a unified framework for solving SB problems. Moreover, from a practical standpoint, the IPMF procedure enables a flexible trade-off between image similarity and generation quality, offering a new mechanism for tailoring models to specific tasks.
♻ ☆ Al-Khwarizmi: Discovering Physical Laws with Foundation Models
Inferring physical laws from data is a central challenge in science and engineering, including but not limited to healthcare, physical sciences, biosciences, social sciences, sustainability, climate, and robotics. Deep networks offer high-accuracy results but lack interpretability, prompting interest in models built from simple components. The Sparse Identification of Nonlinear Dynamics (SINDy) method has become the go-to approach for building such modular and interpretable models. SINDy leverages sparse regression with L1 regularization to identify key terms from a library of candidate functions. However, SINDy's choice of candidate library and optimization method requires significant technical expertise, limiting its widespread applicability. This work introduces Al-Khwarizmi, a novel agentic framework for physical law discovery from data, which integrates foundational models with SINDy. Leveraging LLMs, VLMs, and Retrieval-Augmented Generation (RAG), our approach automates physical law discovery, incorporating prior knowledge and iteratively refining candidate solutions via reflection. Al-Khwarizmi operates in two steps: it summarizes system observations-comprising textual descriptions, raw data, and plots-followed by a secondary step that generates candidate feature libraries and optimizer configurations to identify hidden physics laws correctly. Evaluating our algorithm on over 198 models, we demonstrate state-of-the-art performance compared to alternatives, reaching a 20 percent increase against the best-performing alternative.
♻ ☆ Safe Guaranteed Exploration for Non-linear Systems
Safely exploring environments with a-priori unknown constraints is a fundamental challenge that restricts the autonomy of robots. While safety is paramount, guarantees on sufficient exploration are also crucial for ensuring autonomous task completion. To address these challenges, we propose a novel safe guaranteed exploration framework using optimal control, which achieves first-of-its-kind results: guaranteed exploration for non-linear systems with finite time sample complexity bounds, while being provably safe with arbitrarily high probability. The framework is general and applicable to many real-world scenarios with complex non-linear dynamics and unknown domains. We improve the efficiency of this general framework by proposing an algorithm, SageMPC, SAfe Guaranteed Exploration using Model Predictive Control. SageMPC leverages three key techniques: i) exploiting a Lipschitz bound, ii) goal-directed exploration, and iii) receding horizon style re-planning, all while maintaining the desired sample complexity, safety and exploration guarantees of the framework. Lastly, we demonstrate safe efficient exploration in challenging unknown environments using SageMPC with a car model.
comment: Accepted paper in IEEE Transactions on Automatic Control, 2025
♻ ☆ Problem Space Transformations for Out-of-Distribution Generalisation in Behavioural Cloning
The combination of behavioural cloning and neural networks has driven significant progress in robotic manipulation. As these algorithms may require a large number of demonstrations for each task of interest, they remain fundamentally inefficient in complex scenarios, in which finite datasets can hardly cover the state space. One of the remaining challenges is thus out-of-distribution (OOD) generalisation, i.e. the ability to predict correct actions for states with a low likelihood with respect to the state occupancy induced by the dataset. This issue is aggravated when the system to control is treated as a black-box, ignoring its physical properties. This work characterises widespread properties of robotic manipulation, specifically pose equivariance and locality. We investigate the effect of the choice of problem space on OOD performance of BC policies and how transformations arising from characteristic properties of manipulation could be employed for its improvement. We empirically demonstrate that these transformations allow behaviour cloning policies, using either standard MLP-based one-step action prediction or diffusion-based action-sequence prediction, to generalise better to OOD problem instances.
♻ ☆ COS-DPO: Conditioned One-Shot Multi-Objective Fine-Tuning Framework
In LLM alignment and many other ML applications, one often faces the Multi-Objective Fine-Tuning (MOFT) problem, i.e., fine-tuning an existing model with datasets labeled w.r.t. different objectives simultaneously. To address the challenge, we propose a Conditioned One-Shot fine-tuning framework (COS-DPO) that extends the Direct Preference Optimization technique, originally developed for efficient LLM alignment with preference data, to accommodate the MOFT settings. By direct conditioning on the weight across auxiliary objectives, our Weight-COS-DPO method enjoys an efficient one-shot training process for profiling the Pareto front and is capable of achieving comprehensive trade-off solutions even in the post-training stage. Based on our theoretical findings on the linear transformation properties of the loss function, we further propose the Temperature-COS-DPO method that augments the temperature parameter to the model input, enhancing the flexibility of post-training control over the trade-offs between the main and auxiliary objectives. We demonstrate the effectiveness and efficiency of the COS-DPO framework through its applications to various tasks, including the Learning-to-Rank (LTR) and LLM alignment tasks, highlighting its viability for large-scale ML deployments.
comment: Published at UAI 2025
♻ ☆ Conditional Front-door Adjustment for Heterogeneous Treatment Assignment Effect Estimation Under Non-adherence
Estimates of heterogeneous treatment assignment effects can inform treatment decisions. Under the presence of non-adherence (e.g., patients do not adhere to their assigned treatment), both the standard backdoor adjustment (SBD) and the conditional front-door adjustment (CFD) can recover unbiased estimates of the treatment assignment effects. However, the estimation variance of these approaches may vary widely across settings, which remains underexplored in the literature. In this work, we demonstrate theoretically and empirically that CFD yields lower-variance estimates than SBD when the true effect of treatment assignment is small (i.e., assigning an intervention leads to small changes in patients' future outcome). Additionally, since CFD requires estimating multiple nuisance parameters, we introduce LobsterNet, a multi-task neural network that implements CFD with joint modeling of the nuisance parameters. Empirically, LobsterNet reduces estimation error across several semi-synthetic and real-world datasets compared to baselines. Our findings suggest CFD with shared nuisance parameter modeling can improve treatment assignment effect estimation under non-adherence.
comment: Conference on Health, Inference, and Learning (CHIL) 2025
♻ ☆ Zero-shot Class Unlearning via Layer-wise Relevance Analysis and Neuronal Path Perturbation
In the rapid advancement of artificial intelligence, privacy protection has become crucial, giving rise to machine unlearning. Machine unlearning is a technique that removes specific data influences from trained models without the need for extensive retraining. However, it faces several key challenges, including accurately implementing unlearning, ensuring privacy protection during the unlearning process, and achieving effective unlearning without significantly compromising model performance. This paper presents a novel approach to machine unlearning by employing Layer-wise Relevance Analysis and Neuronal Path Perturbation. We address three primary challenges: the lack of detailed unlearning principles, privacy guarantees in zero-shot unlearning scenario, and the balance between unlearning effectiveness and model utility. Our method balances machine unlearning performance and model utility by identifying and perturbing highly relevant neurons, thereby achieving effective unlearning. By using data not present in the original training set during the unlearning process, we satisfy the zero-shot unlearning scenario and ensure robust privacy protection. Experimental results demonstrate that our approach effectively removes targeted data from the target unlearning model while maintaining the model's utility, offering a practical solution for privacy-preserving machine learning.
comment: 17 pages, 5 figures
♻ ☆ Eau De $Q$-Network: Adaptive Distillation of Neural Networks in Deep Reinforcement Learning
Recent works have successfully demonstrated that sparse deep reinforcement learning agents can be competitive against their dense counterparts. This opens up opportunities for reinforcement learning applications in fields where inference time and memory requirements are cost-sensitive or limited by hardware. Until now, dense-to-sparse methods have relied on hand-designed sparsity schedules that are not synchronized with the agent's learning pace. Crucially, the final sparsity level is chosen as a hyperparameter, which requires careful tuning as setting it too high might lead to poor performances. In this work, we address these shortcomings by crafting a dense-to-sparse algorithm that we name Eau De $Q$-Network (EauDeQN). To increase sparsity at the agent's learning pace, we consider multiple online networks with different sparsity levels, where each online network is trained from a shared target network. At each target update, the online network with the smallest loss is chosen as the next target network, while the other networks are replaced by a pruned version of the chosen network. We evaluate the proposed approach on the Atari $2600$ benchmark and the MuJoCo physics simulator, showing that EauDeQN reaches high sparsity levels while keeping performances high.
comment: Published at RLC 2025: https://openreview.net/forum?id=Bb84iBj4wU#discussion
♻ ☆ CoIFNet: A Unified Framework for Multivariate Time Series Forecasting with Missing Values
Multivariate time series forecasting (MTSF) is a critical task with broad applications in domains such as meteorology, transportation, and economics. Nevertheless, pervasive missing values caused by sensor failures or human errors significantly degrade forecasting accuracy. Prior efforts usually employ an impute-then-forecast paradigm, leading to suboptimal predictions due to error accumulation and misaligned objectives between the two stages. To address this challenge, we propose the Collaborative Imputation-Forecasting Network (CoIFNet), a novel framework that unifies imputation and forecasting to achieve robust MTSF in the presence of missing values. Specifically, CoIFNet takes the observed values, mask matrix and timestamp embeddings as input, processing them sequentially through the Cross-Timestep Fusion (CTF) and Cross-Variate Fusion (CVF) modules to capture temporal dependencies that are robust to missing values. We provide theoretical justifications on how our CoIFNet learning objective improves the performance bound of MTSF with missing values. Through extensive experiments on challenging MSTF benchmarks, we demonstrate the effectiveness and computational efficiency of our proposed approach across diverse missing-data scenarios, e.g., CoIFNet outperforms the state-of-the-art method by $\underline{\textbf{24.40}}$% ($\underline{\textbf{23.81}}$%) at a point (block) missing rate of 0.6, while improving memory and time efficiency by $\underline{\boldsymbol{4.3\times}}$ and $\underline{\boldsymbol{2.1\times}}$, respectively. Our code is available at: https://github.com/KaiTang-eng/CoIFNet.
♻ ☆ SHAKTI: A 2.5 Billion Parameter Small Language Model Optimized for Edge AI and Low-Resource Environments
We introduce Shakti, a 2.5 billion parameter language model specifically optimized for resource-constrained environments such as edge devices, including smartphones, wearables, and IoT systems. Shakti combines high-performance NLP with optimized efficiency and precision, making it ideal for real-time AI applications where computational resources and memory are limited. With support for vernacular languages and domain-specific tasks, Shakti excels in industries such as healthcare, finance, and customer service. Benchmark evaluations demonstrate that Shakti performs competitively against larger models while maintaining low latency and on-device efficiency, positioning it as a leading solution for edge AI.
comment: Paper in pdf format is 11 pages and contains 4 tables
♻ ☆ The learned range test method for the inverse inclusion problem
We consider the inverse problem consisting of the reconstruction of an inclusion $B$ contained in a bounded domain $\Omega\subset\mathbb{R}^d$ from a single pair of Cauchy data $(u|_{\partial\Omega},\partial_\nu u|_{\partial\Omega})$, where $\Delta u=0$ in $\Omega\setminus\overline B$ and $u=0$ on $\partial B$. We show that the reconstruction algorithm based on the range test, a domain sampling method, can be written as a neural network with a specific architecture. We propose to learn the weights of this network in the framework of supervised learning, and to combine it with a pre-trained classifier, with the purpose of distinguishing the inclusions based on their distance from the boundary. The numerical simulations show that this learned range test method provides accurate and stable reconstructions of polygonal inclusions. Furthermore, the results are superior to those obtained with the standard range test method (without learning) and with an end-to-end fully connected deep neural network, a purely data-driven method.
comment: 27 pages, 13 figures
♻ ☆ Belted and Ensembled Neural Network for Linear and Nonlinear Sufficient Dimension Reduction
We introduce a unified, flexible, and easy-to-implement framework of sufficient dimension reduction that can accommodate both linear and nonlinear dimension reduction, and both the conditional distribution and the conditional mean as the targets of estimation. This unified framework is achieved by a specially structured neural network -- the Belted and Ensembled Neural Network (BENN) -- that consists of a narrow latent layer, which we call the belt, and a family of transformations of the response, which we call the ensemble. By strategically placing the belt at different layers of the neural network, we can achieve linear or nonlinear sufficient dimension reduction, and by choosing the appropriate transformation families, we can achieve dimension reduction for the conditional distribution or the conditional mean. Moreover, thanks to the advantage of the neural network, the method is very fast to compute, overcoming a computation bottleneck of the traditional sufficient dimension reduction estimators, which involves the inversion of a matrix of dimension either p or n. We develop the algorithm and convergence rate of our method, compare it with existing sufficient dimension reduction methods, and apply it to two data examples.
comment: 35 pages, 4 figures, 1 table
♻ ☆ Capturing Polysemanticity with PRISM: A Multi-Concept Feature Description Framework
Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Current feature description methods face two critical challenges: limited robustness and the flawed assumption that each neuron encodes only a single concept (monosemanticity), despite growing evidence that neurons are often polysemantic. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework that captures the inherent complexity of neural network features. Unlike prior approaches that assign a single description per feature, PRISM provides more nuanced descriptions for both polysemantic and monosemantic features. We apply PRISM to language models and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).
♻ ☆ Mask-PINNs: Regulating Feature Distributions in Physics-Informed Neural Networks
Physics-Informed Neural Networks (PINNs) have emerged as a powerful framework for solving partial differential equations (PDEs) by embedding physical laws directly into the loss function. However, effective training of PINNs remains challenging due to internal covariate shift, which destabilizes feature distributions and impairs model expressiveness. While normalization techniques like Batch Normalization and Layer Normalization are standard remedies in deep learning, they disrupt the pointwise input-output mappings critical to preserving the physical consistency in PINNs. In this work, we introduce Mask-PINNs, a novel architecture that regulates internal feature distributions through a smooth, learnable mask function applied pointwise across hidden layers. Unlike conventional normalization methods, the proposed mask function preserves the deterministic nature of input-output relationships while suppressing activation drift and saturation. Theoretically, we demonstrate that Mask-PINNs control feature spread near initialization by attenuating gradient variance growth through a tailored modulation mechanism. Empirically, we validate the method on multiple PDE benchmarks across diverse activation functions. Our results show consistent improvements in prediction accuracy, convergence stability, and robustness, with relative L2 errors reduced by up to two orders of magnitude over baseline models. Furthermore, we demonstrate that Mask-PINNs enable the effective use of wider networks, overcoming a key limitation in existing PINN frameworks.
♻ ☆ PromptDSI: Prompt-based Rehearsal-free Instance-wise Incremental Learning for Document Retrieval KDD 2025
Differentiable Search Index (DSI) utilizes pre-trained language models to perform indexing and document retrieval via end-to-end learning without relying on external indexes. However, DSI requires full re-training to index new documents, causing significant computational inefficiencies. Continual learning (CL) offers a solution by enabling the model to incrementally update without full re-training. Existing CL solutions in document retrieval rely on memory buffers or generative models for rehearsal, which is infeasible when accessing previous training data is restricted due to privacy concerns. To this end, we introduce PromptDSI, a prompt-based, rehearsal-free continual learning approach for document retrieval. PromptDSI follows the Prompt-based Continual Learning (PCL) framework, using learnable prompts to efficiently index new documents without accessing previous documents or queries. To improve retrieval latency, we remove the initial forward pass of PCL, which otherwise greatly increases training and inference time, with a negligible trade-off in performance. Additionally, we introduce a novel topic-aware prompt pool that employs neural topic embeddings as fixed keys, eliminating the instability of prompt key optimization while maintaining competitive performance with existing PCL prompt pools. In a challenging rehearsal-free continual learning setup, we demonstrate that PromptDSI variants outperform rehearsal-based baselines, match the strong cache-based baseline in mitigating forgetting, and significantly improving retrieval performance on new corpora.
comment: ECML PKDD 2025 Research track. Camera-ready version. Code is available at https://github.com/LouisDo2108/PromptDSI
♻ ☆ LogProber: Disentangling confidence from contamination in LLM responses
In machine learning, contamination refers to situations where testing data leak into the training set. The issue is particularly relevant for the evaluation of the performance of Large Language Models (LLMs), which are generally trained on gargantuan, and generally opaque, corpora of text scraped from the world wide web. Developing tools to detect contamination is therefore crucial to be able to fairly and properly track the evolution of the performance of LLMs. To date, only a few recent studies have attempted to address the issue of quantifying and detecting contamination in short text sequences, such as those commonly found in benchmarks. However, these methods have limitations that can sometimes render them impractical. In the present paper, we introduce LogProber, a novel, efficient algorithm that we show to be able to detect contamination in a black box setting that tries to tackle some of these drawbacks by focusing on the familiarity with the question rather than the answer. Here, we explore the properties of the proposed method in comparison with concurrent approaches, identify its advantages and limitations, and illustrate how different forms of contamination can go undetected depending on the design of the detection algorithm.
♻ ☆ Machine Learning Methods for Small Data and Upstream Bioprocessing Applications: A Comprehensive Review
Data is crucial for machine learning (ML) applications, yet acquiring large datasets can be costly and time-consuming, especially in complex, resource-intensive fields like biopharmaceuticals. A key process in this industry is upstream bioprocessing, where living cells are cultivated and optimised to produce therapeutic proteins and biologics. The intricate nature of these processes, combined with high resource demands, often limits data collection, resulting in smaller datasets. This comprehensive review explores ML methods designed to address the challenges posed by small data and classifies them into a taxonomy to guide practical applications. Furthermore, each method in the taxonomy was thoroughly analysed, with a detailed discussion of its core concepts and an evaluation of its effectiveness in tackling small data challenges, as demonstrated by application results in the upstream bioprocessing and other related domains. By analysing how these methods tackle small data challenges from different perspectives, this review provides actionable insights, identifies current research gaps, and offers guidance for leveraging ML in data-constrained environments.
♻ ☆ Solving a class of stochastic optimal control problems by physics-informed neural networks
The aim of this work is to develop a deep learning method for solving high-dimensional stochastic control problems based on the Hamilton--Jacobi--Bellman (HJB) equation and physics-informed learning. Our approach is to parameterize the feedback control and the value function using a decoupled neural network with multiple outputs. We train this network by using a loss function with penalty terms that enforce the HJB equation along the sampled trajectories generated by the controlled system. More significantly, numerical results on various applications are carried out to demonstrate that the proposed approach is efficient and applicable.
comment: 8 pages
♻ ☆ Calibrated Predictive Lower Bounds on Time-to-Unsafe-Sampling in LLMs
We develop a framework to quantify the time-to-unsafe-sampling - the number of large language model (LLM) generations required to trigger an unsafe (e.g., toxic) response. Estimating this quantity is challenging, since unsafe responses are exceedingly rare in well-aligned LLMs, potentially occurring only once in thousands of generations. As a result, directly estimating time-to-unsafe-sampling would require collecting training data with a prohibitively large number of generations per prompt. However, with realistic sampling budgets, we often cannot generate enough responses to observe an unsafe outcome for every prompt, leaving the time-to-unsafe-sampling unobserved in many cases, making the estimation and evaluation tasks particularly challenging. To address this, we frame this estimation problem as one of survival analysis and develop a provably calibrated lower predictive bound (LPB) on the time-to-unsafe-sampling of a given prompt, leveraging recent advances in conformal prediction. Our key innovation is designing an adaptive, per-prompt sampling strategy, formulated as a convex optimization problem. The objective function guiding this optimized sampling allocation is designed to reduce the variance of the estimators used to construct the LPB, leading to improved statistical efficiency over naive methods that use a fixed sampling budget per prompt. Experiments on both synthetic and real data support our theoretical results and demonstrate the practical utility of our method for safety risk assessment in generative AI models.
♻ ☆ Robust Finite-Memory Policy Gradients for Hidden-Model POMDPs IJCAI 2025
Partially observable Markov decision processes (POMDPs) model specific environments in sequential decision-making under uncertainty. Critically, optimal policies for POMDPs may not be robust against perturbations in the environment. Hidden-model POMDPs (HM-POMDPs) capture sets of different environment models, that is, POMDPs with a shared action and observation space. The intuition is that the true model is hidden among a set of potential models, and it is unknown which model will be the environment at execution time. A policy is robust for a given HM-POMDP if it achieves sufficient performance for each of its POMDPs.We compute such robust policies by combining two orthogonal techniques: (1) a deductive formal verification technique that supports tractable robust policy evaluation by computing a worst-case POMDP within the HM-POMDP, and (2) subgradient ascent to optimize the candidate policy for a worst-case POMDP. The empirical evaluation shows that, compared to various baselines, our approach (1) produces policies that are more robust and generalize better to unseen POMDPs, and (2) scales to HM-POMDPs that consist of over a hundred thousand environments.
comment: Accepted for publication at IJCAI 2025
♻ ☆ Graph is all you need? Lightweight data-agnostic neural architecture search without training
Neural architecture search (NAS) enables the automatic design of neural network models. However, training the candidates generated by the search algorithm for performance evaluation incurs considerable computational overhead. Our method, dubbed nasgraph, remarkably reduces the computational costs by converting neural architectures to graphs and using the average degree, a graph measure, as the proxy in lieu of the evaluation metric. Our training-free NAS method is data-agnostic and light-weight. It can find the best architecture among 200 randomly sampled architectures from NAS-Bench201 in 217 CPU seconds. Besides, our method is able to achieve competitive performance on various datasets including NASBench-101, NASBench-201, and NDS search spaces. We also demonstrate that nasgraph generalizes to more challenging tasks on Micro TransNAS-Bench-101.
♻ ☆ On Almost Surely Safe Alignment of Large Language Models at Inference-Time
We introduce a novel inference-time alignment approach for LLMs that aims to generate safe responses almost surely, i.e., with probability approaching one. Our approach models the generation of safe responses as a constrained Markov Decision Process (MDP) within the LLM's latent space. We augment a safety state that tracks the evolution of safety constraints and dynamically penalize unsafe generations to ensure the generation of safe responses. Consequently, we demonstrate formal safety guarantees w.r.t. the given cost model upon solving the MDP in the latent space with sufficiently large penalties. Building on this foundation, we propose InferenceGuard, a practical implementation that safely aligns LLMs without modifying the model weights. Empirically, we demonstrate that InferenceGuard effectively balances safety and task performance, outperforming existing inference-time alignment methods in generating safe and aligned responses. Our findings contribute to the advancement of safer LLM deployment through alignment at inference-time, thus presenting a promising alternative to resource-intensive, overfitting-prone alignment techniques like RLHF.
♻ ☆ LearnAlign: Reasoning Data Selection for Reinforcement Learning in Large Language Models Based on Improved Gradient Alignment
Reinforcement learning (RL) has become a key technique for enhancing LLMs' reasoning abilities, yet its data inefficiency remains a major bottleneck. To address this critical yet challenging issue, we present a novel gradient-alignment-based method, named LearnAlign, which intelligently selects the learnable and representative training reasoning data for RL post-training. To overcome the issue of response-length bias in gradient norms, we introduce the data learnability based on the success rate, which can indicate the learning potential of each data point. Experiments across three mathematical reasoning benchmarks demonstrate that our method significantly reduces training data requirements while achieving minor performance degradation or even improving performance compared to full-data training. For example, it reduces data requirements by up to 1,000 data points with better performance (77.53%) than that on the full dataset on GSM8K benchmark (77.04%). Furthermore, we show its effectiveness in the staged RL setting. This work provides valuable insights into data-efficient RL post-training and establishes a foundation for future research in optimizing reasoning data selection. To facilitate future work, we will release code.
♻ ☆ Stable Learning Using Spiking Neural Networks Equipped With Affine Encoders and Decoders
We study the learning problem associated with spiking neural networks. Specifically, we focus on spiking neural networks composed of simple spiking neurons having only positive synaptic weights, equipped with an affine encoder and decoder; we refer to these as affine spiking neural networks. These neural networks are shown to depend continuously on their parameters, which facilitates classical covering number-based generalization statements and supports stable gradient-based training. We demonstrate that the positivity of the weights enables a wide range of expressivity results, including rate-optimal approximation of smooth functions and dimension-independent approximation of Barron regular functions. In particular, we show in theory and simulations that affine spiking neural networks are capable of approximating shallow ReLU neural networks. Furthermore, we apply these affine spiking neural networks to standard machine learning benchmarks and reach competitive results. Finally, we observe that from a generalization perspective, contrary to feedforward neural networks or previous results for general spiking neural networks, the depth has little to no adverse effect on the generalization capabilities.
♻ ☆ Discrepancies are Virtue: Weak-to-Strong Generalization through Lens of Intrinsic Dimension ICML 2025
Weak-to-strong (W2S) generalization is a type of finetuning (FT) where a strong (large) student model is trained on pseudo-labels generated by a weak teacher. Surprisingly, W2S FT often outperforms the weak teacher. We seek to understand this phenomenon through the observation that FT often occurs in intrinsically low-dimensional spaces. Leveraging the low intrinsic dimensionality of FT, we analyze W2S in the ridgeless regression setting from a variance reduction perspective. For a strong student-weak teacher pair with sufficiently expressive low-dimensional feature subspaces $\mathcal{V}_s, \mathcal{V}_w$, we provide an exact characterization of the variance that dominates the generalization error of W2S. This unveils a virtue of discrepancy between the strong and weak models in W2S: the variance of the weak teacher is inherited by the strong student in $\mathcal{V}_s \cap \mathcal{V}_w$, while reduced by a factor of $\mathrm{dim}(\mathcal{V}_s)/N$ in the subspace of discrepancy $\mathcal{V}_w \setminus \mathcal{V}_s$ with $N$ pseudo-labels for W2S. Our analysis further casts light on the sample complexities and the scaling of performance gap recovery in W2S. The analysis is supported by experiments on synthetic regression problems, as well as real vision and NLP tasks.
comment: ICML 2025
♻ ☆ A Statistical Evaluation of Indoor LoRaWAN Environment-Aware Propagation for 6G: MLR, ANOVA, and Residual Distribution Analysis
Modeling path loss in indoor LoRaWAN technology deployments is inherently challenging due to structural obstructions, occupant density and activities, and fluctuating environmental conditions. This study proposes a two-stage approach to capture and analyze these complexities using an extensive dataset of 1,328,334 field measurements collected over six months in a single-floor office at the University of Siegen's Hoelderlinstrasse Campus, Germany. First, we implement a multiple linear regression model that includes traditional propagation metrics (distance, structural walls) and an extension with proposed environmental variables (relative humidity, temperature, carbon dioxide, particulate matter, and barometric pressure). Using analysis of variance, we demonstrate that adding these environmental factors can reduce unexplained variance by 42.32 percent. Secondly, we examine residual distributions by fitting five candidate probability distributions: Normal, Skew-Normal, Cauchy, Student's t, and Gaussian Mixture Models (GMMs) with 2 to 5 components. Our results show that a four-component Gaussian Mixture Model captures the residual heterogeneity of indoor signal propagation most accurately, significantly outperforming single-distribution approaches. Given the push toward ultra-reliable, context-aware communications in 6G networks, our analysis shows that environment-aware modeling can substantially improve LoRaWAN network design in dynamic indoor IoT deployments.
comment: \c{opyright} 2025 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media. This is the accepted version of the article: To appear in the 2025 Joint European Conference on Networks and Communications & 6G Summit (EuCNC/6G Summit)
♻ ☆ Training Multi-Layer Binary Neural Networks With Local Binary Error Signals
Binary Neural Networks (BNNs) significantly reduce computational complexity and memory usage in machine and deep learning by representing weights and activations with just one bit. However, most existing training algorithms for BNNs rely on quantization-aware floating-point Stochastic Gradient Descent (SGD), limiting the full exploitation of binary operations to the inference phase only. In this work, we propose, for the first time, a fully binary and gradient-free training algorithm for multi-layer BNNs, eliminating the need for back-propagated floating-point gradients. Specifically, the proposed algorithm relies on local binary error signals and binary weight updates, employing integer-valued hidden weights that serve as a synaptic metaplasticity mechanism, thereby enhancing its neurobiological plausibility. Our proposed solution enables the training of binary multi-layer perceptrons by using exclusively XNOR, Popcount, and increment/decrement operations. Experimental results on multi-class classification benchmarks show test accuracy improvements of up to +35.47% over the only existing fully binary single-layer state-of-the-art solution. Compared to full-precision SGD, our solution improves test accuracy by up to +35.30% under the same total memory demand, while also reducing computational cost by two to three orders of magnitude in terms of the total number of Boolean gates. The proposed algorithm is made available to the scientific community as a public repository.
♻ ☆ Optimizing Sensory Neurons: Nonlinear Attention Mechanisms for Accelerated Convergence in Permutation-Invariant Neural Networks for Reinforcement Learning
Training reinforcement learning (RL) agents often requires significant computational resources and prolonged training durations. To address this challenge, we build upon prior work that introduced a neural architecture with permutation-invariant sensory processing. We propose a modified attention mechanism that applies a non-linear transformation to the key vectors (K), producing enriched representations (K') through a custom mapping function. This Nonlinear Attention (NLA) mechanism enhances the representational capacity of the attention layer, enabling the agent to learn more expressive feature interactions. As a result, our model achieves significantly faster convergence and improved training efficiency, while maintaining performance on par with the baseline. These results highlight the potential of nonlinear attention mechanisms to accelerate reinforcement learning without sacrificing effectiveness.
♻ ☆ Towards Efficient Few-shot Graph Neural Architecture Search via Partitioning Gradient Contribution KDD 2025
To address the weight coupling problem, certain studies introduced few-shot Neural Architecture Search (NAS) methods, which partition the supernet into multiple sub-supernets. However, these methods often suffer from computational inefficiency and tend to provide suboptimal partitioning schemes. To address this problem more effectively, we analyze the weight coupling problem from a novel perspective, which primarily stems from distinct modules in succeeding layers imposing conflicting gradient directions on the preceding layer modules. Based on this perspective, we propose the Gradient Contribution (GC) method that efficiently computes the cosine similarity of gradient directions among modules by decomposing the Vector-Jacobian Product during supernet backpropagation. Subsequently, the modules with conflicting gradient directions are allocated to distinct sub-supernets while similar ones are grouped together. To assess the advantages of GC and address the limitations of existing Graph Neural Architecture Search methods, which are limited to searching a single type of Graph Neural Networks (Message Passing Neural Networks (MPNNs) or Graph Transformers (GTs)), we propose the Unified Graph Neural Architecture Search (UGAS) framework, which explores optimal combinations of MPNNs and GTs. The experimental results demonstrate that GC achieves state-of-the-art (SOTA) performance in supernet partitioning quality and time efficiency. In addition, the architectures searched by UGAS+GC outperform both the manually designed GNNs and those obtained by existing NAS methods. Finally, ablation studies further demonstrate the effectiveness of all proposed methods.
comment: Accepted by SIGKDD 2025
♻ ☆ ICC: Quantifying Image Caption Concreteness for Multimodal Dataset Curation ACL 2024
Web-scale training on paired text-image data is becoming increasingly central to multimodal learning, but is challenged by the highly noisy nature of datasets in the wild. Standard data filtering approaches succeed in removing mismatched text-image pairs, but permit semantically related but highly abstract or subjective text. These approaches lack the fine-grained ability to isolate the most concrete samples that provide the strongest signal for learning in a noisy dataset. In this work, we propose a new metric, image caption concreteness, that evaluates caption text without an image reference to measure its concreteness and relevancy for use in multimodal learning. Our approach leverages strong foundation models for measuring visual-semantic information loss in multimodal representations. We demonstrate that this strongly correlates with human evaluation of concreteness in both single-word and sentence-level texts. Moreover, we show that curation using ICC complements existing approaches: It succeeds in selecting the highest quality samples from multimodal web-scale datasets to allow for efficient training in resource-constrained settings.
comment: Accepted to ACL 2024 (Finding). For Project webpage, see https://moranyanuka.github.io/icc/
♻ ☆ Adapting While Learning: Grounding LLMs for Scientific Problems with Intelligent Tool Usage Adaptation
Large Language Models (LLMs) demonstrate promising capabilities in solving scientific problems but often suffer from the issue of hallucination. While integrating LLMs with tools can mitigate this issue, models fine-tuned on tool usage become overreliant on them and incur unnecessary costs. Inspired by how human experts assess problem complexity before selecting solutions, we propose a novel two-component fine-tuning method, Adapting While Learning (AWL). In the first component, World Knowledge Learning (WKL), LLMs internalize scientific knowledge by learning from tool-generated solutions. In the second component, Tool Usage Adaptation (TUA), we categorize problems as easy or hard based on the model's accuracy, and train it to maintain direct reasoning for easy problems while switching to tools for hard ones. We validate our method on six scientific benchmark datasets across climate science, epidemiology, physics, and other domains. Compared to the original instruct model (8B), models post-trained with AWL achieve 29.11% higher answer accuracy and 12.72% better tool usage accuracy, even surpassing state-of-the-art models including GPT-4o and Claude-3.5 on four custom-created datasets. Our code is open-source at https://github.com/Rose-STL-Lab/Adapting-While-Learning.
comment: 37 pages, 16 figures
♻ ☆ When and How Does CLIP Enable Domain and Compositional Generalization? ICML 2025
The remarkable generalization performance of contrastive vision-language models like CLIP is often attributed to the diversity of their training distributions. However, key questions remain unanswered: Can CLIP generalize to an entirely unseen domain when trained on a diverse mixture of domains (domain generalization)? Can it generalize to unseen classes within partially seen domains (compositional generalization)? What factors affect such generalization? To answer these questions, we trained CLIP models on systematically constructed training distributions with controlled domain diversity and object class exposure. Our experiments show that domain diversity is essential for both domain and compositional generalization, yet compositional generalization can be surprisingly weaker than domain generalization when the training distribution contains a suboptimal subset of the test domain. Through data-centric and mechanistic analyses, we find that successful generalization requires the learning of sufficiently shared representations in intermediate layers and circuits.
comment: ICML 2025 (Spotlight)
♻ ☆ Boltzmann Classifier: A Thermodynamic-Inspired Approach to Supervised Learning
We present the Boltzmann classifier, a novel distance based probabilistic classification algorithm inspired by the Boltzmann distribution. Unlike traditional classifiers that produce hard decisions or uncalibrated probabilities, the Boltzmann classifier assigns class probabilities based on the average distance to the nearest neighbors within each class, providing interpretable, physically meaningful outputs. We evaluate the performance of the method across three application domains: molecular activity prediction, oxidation state classification of transition metal complexes, and breast cancer diagnosis. In the molecular activity task, the classifier achieved the highest accuracy in predicting active compounds against two protein targets, with strong correlations observed between the predicted probabilities and experimental pIC50 values. For metal complexes, the classifier accurately distinguished between oxidation states II and III for Fe, Mn, and Co, using only metal-ligand bond lengths extracted from crystallographic data, and demonstrated high consistency with known chemical trends. In the breast cancer dataset, the classifier achieved 97% accuracy, with low confidence predictions concentrated in inherently ambiguous cases. Across all tasks, the Boltzmann classifier performed competitively or better than standard models such as logistic regression, support vector machines, random forests, and k-nearest neighbors. Its probabilistic outputs were found to correlate with continuous physical or biological properties, highlighting its potential utility in both classification and regression contexts. The results suggest that the Boltzmann classifier is a robust and interpretable alternative to conventional machine learning approaches, particularly in scientific domains where underlying structure property relationships are important.
♻ ☆ CINNAMON: A hybrid approach to change point detection and parameter estimation in single-particle tracking data
Change point detection has become an important part of the analysis of the single-particle tracking data, as it allows one to identify moments, in which the motion patterns of observed particles undergo significant changes. The segmentation of diffusive trajectories based on those moments may provide insight into various phenomena in soft condensed matter and biological physics. In this paper, we propose CINNAMON, a hybrid approach to classifying single-particle tracking trajectories, detecting change points within them, and estimating diffusion parameters in the segments between the change points. Our method is based on a combination of neural networks, feature-based machine learning, and statistical techniques. It has been benchmarked in the second Anomalous Diffusion Challenge. The method offers a high level of interpretability due to its analytical and feature-based components. A potential use of features from topological data analysis is also discussed.
♻ ☆ DVFS-Aware DNN Inference on GPUs: Latency Modeling and Performance Analysis
The rapid development of deep neural networks (DNNs) is inherently accompanied by the problem of high computational costs. To tackle this challenge, dynamic voltage frequency scaling (DVFS) is emerging as a promising technology for balancing the latency and energy consumption of DNN inference by adjusting the computing frequency of processors. However, most existing models of DNN inference time are based on the CPU-DVFS technique, and directly applying the CPU-DVFS model to DNN inference on GPUs will lead to significant errors in optimizing latency and energy consumption. In this paper, we propose a DVFS-aware latency model to precisely characterize DNN inference time on GPUs. We first formulate the DNN inference time based on extensive experiment results for different devices and analyze the impact of fitting parameters. Then by dividing DNNs into multiple blocks and obtaining the actual inference time, the proposed model is further verified. Finally, we compare our proposed model with the CPU-DVFS model in two specific cases. Evaluation results demonstrate that local inference optimization with our proposed model achieves a reduction of no less than 66% and 69% in inference time and energy consumption respectively. In addition, cooperative inference with our proposed model can improve the partition policy and reduce the energy consumption compared to the CPU-DVFS model.
♻ ☆ Efficient but Vulnerable: Benchmarking and Defending LLM Batch Prompting Attack ACL
Batch prompting, which combines a batch of multiple queries sharing the same context in one inference, has emerged as a promising solution to reduce inference costs. However, our study reveals a significant security vulnerability in batch prompting: malicious users can inject attack instructions into a batch, leading to unwanted interference across all queries, which can result in the inclusion of harmful content, such as phishing links, or the disruption of logical reasoning. In this paper, we construct BATCHSAFEBENCH, a comprehensive benchmark comprising 150 attack instructions of two types and 8k batch instances, to study the batch prompting vulnerability systematically. Our evaluation of both closed-source and open-weight LLMs demonstrates that all LLMs are susceptible to batch-prompting attacks. We then explore multiple defending approaches. While the prompting-based defense shows limited effectiveness for smaller LLMs, the probing-based approach achieves about 95% accuracy in detecting attacks. Additionally, we perform a mechanistic analysis to understand the attack and identify attention heads that are responsible for it.
comment: Accepted to ACL Findings, 2025
♻ ☆ CodeV-R1: Reasoning-Enhanced Verilog Generation
Large language models (LLMs) trained via reinforcement learning with verifiable reward (RLVR) have achieved breakthroughs on tasks with explicit, automatable verification, such as software programming and mathematical problems. Extending RLVR to electronic design automation (EDA), especially automatically generating hardware description languages (HDLs) like Verilog from natural-language (NL) specifications, however, poses three key challenges: the lack of automated and accurate verification environments, the scarcity of high-quality NL-code pairs, and the prohibitive computation cost of RLVR. To this end, we introduce CodeV-R1, an RLVR framework for training Verilog generation LLMs. First, we develop a rule-based testbench generator that performs robust equivalence checking against golden references. Second, we propose a round-trip data synthesis method that pairs open-source Verilog snippets with LLM-generated NL descriptions, verifies code-NL-code consistency via the generated testbench, and filters out inequivalent examples to yield a high-quality dataset. Third, we employ a two-stage "distill-then-RL" training pipeline: distillation for the cold start of reasoning abilities, followed by adaptive DAPO, our novel RLVR algorithm that can reduce training cost by adaptively adjusting sampling rate. The resulting model, CodeV-R1-7B, achieves 68.6% and 72.9% pass@1 on VerilogEval v2 and RTLLM v1.1, respectively, surpassing prior state-of-the-art by 12~20%, while matching or even exceeding the performance of 671B DeepSeek-R1. We will release our model, training pipeline, and dataset to facilitate research in EDA and LLM communities.
♻ ☆ SSR-Zero: Simple Self-Rewarding Reinforcement Learning for Machine Translation
Large language models (LLMs) have recently demonstrated remarkable capabilities in machine translation (MT). However, most advanced MT-specific LLMs heavily rely on external supervision signals during training, such as human-annotated reference data or trained reward models (RMs), which are often expensive to obtain and challenging to scale. To overcome this limitation, we propose a Simple Self-Rewarding (SSR) Reinforcement Learning (RL) framework for MT that is reference-free, fully online, and relies solely on self-judging rewards. Training with SSR using 13K monolingual examples and Qwen-2.5-7B as the backbone, our model SSR-Zero-7B outperforms existing MT-specific LLMs, e.g., TowerInstruct-13B and GemmaX-28-9B, as well as larger general LLMs like Qwen2.5-32B-Instruct in English $\leftrightarrow$ Chinese translation tasks from WMT23, WMT24, and Flores200 benchmarks. Furthermore, by augmenting SSR with external supervision from COMET, our strongest model, SSR-X-Zero-7B, achieves state-of-the-art performance in English $\leftrightarrow$ Chinese translation, surpassing all existing open-source models under 72B parameters and even outperforming closed-source models, e.g., GPT-4o and Gemini 1.5 Pro. Our analysis highlights the effectiveness of the self-rewarding mechanism compared to the external LLM-as-a-judge approach in MT and demonstrates its complementary benefits when combined with trained RMs. Our findings provide valuable insight into the potential of self-improving RL methods. We have publicly released our code, data and models.
♻ ☆ Can We Detect Failures Without Failure Data? Uncertainty-Aware Runtime Failure Detection for Imitation Learning Policies
Recent years have witnessed impressive robotic manipulation systems driven by advances in imitation learning and generative modeling, such as diffusion- and flow-based approaches. As robot policy performance increases, so does the complexity and time horizon of achievable tasks, inducing unexpected and diverse failure modes that are difficult to predict a priori. To enable trustworthy policy deployment in safety-critical human environments, reliable runtime failure detection becomes important during policy inference. However, most existing failure detection approaches rely on prior knowledge of failure modes and require failure data during training, which imposes a significant challenge in practicality and scalability. In response to these limitations, we present FAIL-Detect, a modular two-stage approach for failure detection in imitation learning-based robotic manipulation. To accurately identify failures from successful training data alone, we frame the problem as sequential out-of-distribution (OOD) detection. We first distill policy inputs and outputs into scalar signals that correlate with policy failures and capture epistemic uncertainty. FAIL-Detect then employs conformal prediction (CP) as a versatile framework for uncertainty quantification with statistical guarantees. Empirically, we thoroughly investigate both learned and post-hoc scalar signal candidates on diverse robotic manipulation tasks. Our experiments show learned signals to be mostly consistently effective, particularly when using our novel flow-based density estimator. Furthermore, our method detects failures more accurately and faster than state-of-the-art (SOTA) failure detection baselines. These results highlight the potential of FAIL-Detect to enhance the safety and reliability of imitation learning-based robotic systems as they progress toward real-world deployment.
comment: Accepted by Robotics: Science and Systems 2025
♻ ☆ Knowledge Distillation Framework for Accelerating High-Accuracy Neural Network-Based Molecular Dynamics Simulations
Neural network potentials (NNPs) offer a powerful alternative to traditional force fields for molecular dynamics (MD) simulations. Accurate and stable MD simulations, crucial for evaluating material properties, require training data encompassing both low-energy stable structures and high-energy structures. Conventional knowledge distillation (KD) methods fine-tune a pre-trained NNP as a teacher model to generate training data for a student model. However, in material-specific models, this fine-tuning process increases energy barriers, making it difficult to create training data containing high-energy structures. To address this, we propose a novel KD framework that leverages a non-fine-tuned, off-the-shelf pre-trained NNP as a teacher. Its gentler energy landscape facilitates the exploration of a wider range of structures, including the high-energy structures crucial for stable MD simulations. Our framework employs a two-stage training process: first, the student NNP is trained with a dataset generated by the off-the-shelf teacher; then, it is fine-tuned with a smaller, high-accuracy density functional theory (DFT) dataset. We demonstrate the effectiveness of our framework by applying it to both organic (polyethylene glycol) and inorganic (L$_{10}$GeP$_{2}$S$_{12}$) materials, achieving comparable or superior accuracy in reproducing physical properties compared to existing methods. Importantly, our method reduces the number of expensive DFT calculations by 10x compared to existing NNP generation methods, without sacrificing accuracy. Furthermore, the resulting student NNP achieves up to 106x speedup in inference compared to the teacher NNP, enabling significantly faster and more efficient MD simulations.
♻ ☆ Nature Language Model: Deciphering the Language of Nature for Scientific Discovery
Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, RNA and even cells. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) top performance across different domains, matching or surpassing state-of-the-art specialist models. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.
comment: 95 pages
♻ ☆ DeepSelective: Interpretable Prognosis Prediction via Feature Selection and Compression in EHR Data
The rapid accumulation of Electronic Health Records (EHRs) has transformed healthcare by providing valuable data that enhance clinical predictions and diagnoses. While conventional machine learning models have proven effective, they often lack robust representation learning and depend heavily on expert-crafted features. Although deep learning offers powerful solutions, it is often criticized for its lack of interpretability. To address these challenges, we propose DeepSelective, a novel end to end deep learning framework for predicting patient prognosis using EHR data, with a strong emphasis on enhancing model interpretability. DeepSelective combines data compression techniques with an innovative feature selection approach, integrating custom-designed modules that work together to improve both accuracy and interpretability. Our experiments demonstrate that DeepSelective not only enhances predictive accuracy but also significantly improves interpretability, making it a valuable tool for clinical decision-making. The source code is freely available at http://www.healthinformaticslab.org/supp/resources.php .
♻ ☆ Conformal Inference under High-Dimensional Covariate Shifts via Likelihood-Ratio Regularization
We consider the problem of conformal prediction under covariate shift. Given labeled data from a source domain and unlabeled data from a covariate shifted target domain, we seek to construct prediction sets with valid marginal coverage in the target domain. Most existing methods require estimating the unknown likelihood ratio function, which can be prohibitive for high-dimensional data such as images. To address this challenge, we introduce the likelihood ratio regularized quantile regression (LR-QR) algorithm, which combines the pinball loss with a novel choice of regularization in order to construct a threshold function without directly estimating the unknown likelihood ratio. We show that the LR-QR method has coverage at the desired level in the target domain, up to a small error term that we can control. Our proofs draw on a novel analysis of coverage via stability bounds from learning theory. Our experiments demonstrate that the LR-QR algorithm outperforms existing methods on high-dimensional prediction tasks, including a regression task for the Communities and Crime dataset, an image classification task from the WILDS repository, and an LLM question-answering task on the MMLU benchmark.
♻ ☆ Group-Level Data Selection for Efficient Pretraining
In this paper, we introduce Group-MATES, an efficient group-level data selection approach to optimize the speed-quality frontier of language model pretraining. Specifically, Group-MATES parameterizes costly group-level selection with a relational data influence model. To train this model, we sample training trajectories of the language model and collect oracle data influences alongside. The relational data influence model approximates the oracle data influence by weighting individual influence with relationships among training data. To enable efficient selection with our relational data influence model, we partition the dataset into small clusters using relationship weights and select data within each cluster independently. Experiments on DCLM 400M-4x, 1B-1x, and 3B-1x show that Group-MATES achieves 3.5%-9.4% relative performance gains over random selection across 22 downstream tasks, nearly doubling the improvements achieved by state-of-the-art individual data selection baselines. Furthermore, Group-MATES reduces the number of tokens required to reach a certain downstream performance by up to 1.75x, substantially elevating the speed-quality frontier. Further analyses highlight the critical role of relationship weights in the relational data influence model and the effectiveness of our cluster-based inference. Our code is open-sourced at https://github.com/facebookresearch/Group-MATES.
♻ ☆ Client-Centered Federated Learning for Heterogeneous EHRs: Use Fewer Participants to Achieve the Same Performance
The increasing volume of electronic health records (EHRs) presents the opportunity to improve the accuracy and robustness of models in clinical prediction tasks. Unlike traditional centralized approaches, federated learning enables training on data from multiple institutions while preserving patient privacy and complying with regulatory constraints. In practice, healthcare institutions (i.e., hosts) often need to build predictive models tailored to their specific needs using federated learning. In this scenario, two key challenges arise: (1) ensuring compatibility across heterogeneous EHR systems, and (2) managing federated learning costs within budget constraints. To address these challenges, we propose EHRFL, a federated learning framework designed for building a cost-effective, host-specific predictive model using patient EHR data. EHRFL consists of two components: (1) text-based EHR modeling, which facilitates cross-institution compatibility without costly data standardization, and (2) a participant selection strategy based on averaged patient embedding similarity to reduce the number of participants without degrading performance. Experiments on multiple open-source EHR datasets demonstrate the effectiveness of both components. We believe our framework offers a practical solution for enabling healthcare institutions to build institution-specific predictive models under budgetary constraints.
♻ ☆ Rewarding the Unlikely: Lifting GRPO Beyond Distribution Sharpening
Reinforcement learning is emerging as a primary driver for improving language model reasoning capabilities. A fundamental question is whether current reinforcement learning algorithms -- such as Group Relative Policy Optimization (GRPO), the de facto standard algorithm used to improve language model reasoning -- merely sharpen the base model's distribution around problems it can already solve. We investigate this question in the context of formal theorem proving, which has access to a perfect verifier. We identify a degenerate rank bias in GRPO in which highly probable trajectories are reinforced and rare ones are neglected. This results in distribution sharpening: the model can solve some problems with fewer samples, but underperforms simply sampling more solutions from the original model. To overcome GRPO's rank bias we introduce unlikeliness reward, a simple method for explicitly up-weighting rare but correct solutions. We show that unlikeliness reward mitigates rank bias and improves pass@$N$ across a large range of $N$ in both synthetic and real theorem proving settings. We also uncover an unexpected link between rank bias and a seemingly mundane hyperparameter -- the number of updates per batch -- that leads to a second, complementary mitigation. We combine our insights into a revised GRPO training recipe for formal theorem proving, yielding an open pipeline that achieves competitive performance to DeepSeek-Prover-V1.5-RL on the miniF2F-test benchmark. We release our implementation at https://github.com/AndreHe02/rewarding-unlikely-release
♻ ☆ Disentangling and Integrating Relational and Sensory Information in Transformer Architectures ICML 2025
Relational reasoning is a central component of generally intelligent systems, enabling robust and data-efficient inductive generalization. Recent empirical evidence shows that many existing neural architectures, including Transformers, struggle with tasks requiring relational reasoning. In this work, we distinguish between two types of information: sensory information about the properties of individual objects, and relational information about the relationships between objects. While neural attention provides a powerful mechanism for controlling the flow of sensory information between objects, the Transformer lacks an explicit computational mechanism for routing and processing relational information. To address this limitation, we propose an architectural extension of the Transformer framework that we call the Dual Attention Transformer (DAT), featuring two distinct attention mechanisms: sensory attention for directing the flow of sensory information, and a novel relational attention mechanism for directing the flow of relational information. We empirically evaluate DAT on a diverse set of tasks ranging from synthetic relational benchmarks to complex real-world tasks such as language modeling and visual processing. Our results demonstrate that integrating explicit relational computational mechanisms into the Transformer architecture leads to significant performance gains in terms of data efficiency and parameter efficiency.
comment: ICML 2025
♻ ☆ Automated Skill Discovery for Language Agents through Exploration and Iterative Feedback
Training large language model (LLM) agents to acquire necessary skills and perform diverse tasks within an environment is gaining interest as a means to enable open-endedness. However, creating the training dataset for their skill acquisition faces several challenges. Manual trajectory collection requires significant human effort. Another approach, where LLMs directly propose tasks to learn, is often invalid, as the LLMs lack knowledge of which tasks are actually feasible. Moreover, the generated data may not provide a meaningful learning signal, as agents often already perform well on the proposed tasks. To address this, we propose a novel automatic skill discovery framework EXIF for LLM-powered agents, designed to improve the feasibility of generated target behaviors while accounting for the agents' capabilities. Our method adopts an exploration-first strategy by employing an exploration agent (Alice) to train the target agent (Bob) to learn essential skills in the environment. Specifically, Alice first interacts with the environment to retrospectively generate a feasible, environment-grounded skill dataset, which is then used to train Bob. Crucially, we incorporate an iterative feedback loop, where Alice evaluates Bob's performance to identify areas for improvement. This feedback then guides Alice's next round of exploration, forming a closed-loop data generation process. Experiments on Webshop and Crafter demonstrate EXIF's ability to effectively discover meaningful skills and iteratively expand the capabilities of the trained agent without any human intervention, achieving substantial performance improvements. Interestingly, we observe that setting Alice to the same model as Bob also notably improves performance, demonstrating EXIF's potential for building a self-evolving system.
comment: Preprint, under review
♻ ☆ Revisiting Multi-Agent Debate as Test-Time Scaling: A Systematic Study of Conditional Effectiveness
The remarkable growth in large language model (LLM) capabilities has spurred exploration into multi-agent systems, with debate frameworks emerging as a promising avenue for enhanced problem-solving. These multi-agent debate (MAD) approaches, where agents collaboratively present, critique, and refine arguments, potentially offer improved reasoning, robustness, and diverse perspectives over monolithic models. Despite prior studies leveraging MAD, a systematic understanding of its effectiveness compared to self-agent methods, particularly under varying conditions, remains elusive. This paper seeks to fill this gap by conceptualizing MAD as a test-time computational scaling technique, distinguished by collaborative refinement and diverse exploration capabilities. We conduct a comprehensive empirical investigation comparing MAD with strong self-agent test-time scaling baselines on mathematical reasoning and safety-related tasks. Our study systematically examines the influence of task difficulty, model scale, and agent diversity on MAD's performance. Key findings reveal that, for mathematical reasoning, MAD offers limited advantages over self-agent scaling but becomes more effective with increased problem difficulty and decreased model capability, while agent diversity shows little benefit. Conversely, for safety tasks, MAD's collaborative refinement can increase vulnerability, but incorporating diverse agent configurations facilitates a gradual reduction in attack success through the collaborative refinement process. We believe our findings provide critical guidance for the future development of more effective and strategically deployed MAD systems.
comment: Preprint, under review
♻ ☆ Info-Coevolution: An Efficient Framework for Data Model Coevolution
Machine learning relies heavily on data, yet the continuous growth of real-world data poses challenges for efficient dataset construction and training. A fundamental yet unsolved question is: given our current model and data, does a new data (sample/batch) need annotation/learning? Conventional approaches retain all available data, leading to non-optimal data and training efficiency. Active learning aims to reduce data redundancy by selecting a subset of samples to annotate, while it increases pipeline complexity and introduces bias. In this work, we propose Info-Coevolution, a novel framework that efficiently enables models and data to coevolve through online selective annotation with no bias. Leveraging task-specific models (and open-source models), it selectively annotates and integrates online and web data to improve datasets efficiently. For real-world datasets like ImageNet-1K, Info-Coevolution reduces annotation and training costs by 32\% without performance loss. It is able to automatically give the saving ratio without tuning the ratio. It can further reduce the annotation ratio to 50\% with semi-supervised learning. We also explore retrieval-based dataset enhancement using unlabeled open-source data. Code is available at https://github.com/NUS-HPC-AI-Lab/Info-Coevolution/.
comment: V1
♻ ☆ Understanding and Reducing the Class-Dependent Effects of Data Augmentation with A Two-Player Game Approach
Data augmentation is widely applied and has shown its benefits in different machine learning tasks. However, as recently observed, it may have an unfair effect in multi-class classification. While data augmentation generally improves the overall performance (and therefore is beneficial for many classes), it can actually be detrimental for other classes, which can be problematic in some application domains. In this paper, to counteract this phenomenon, we propose CLAM, a CLAss-dependent Multiplicative-weights method. To derive it, we first formulate the training of a classifier as a non-linear optimization problem that aims at simultaneously maximizing the individual class performances and balancing them. By rewriting this optimization problem as an adversarial two-player game, we propose a novel multiplicative weight algorithm, for which we prove the convergence. Interestingly, our formulation also reveals that the class-dependent effects of data augmentation is not due to data augmentation only, but is in fact a general phenomenon. Our empirical results over six datasets demonstrate that the performance of learned classifiers is indeed more fairly distributed over classes, with only limited impact on the average accuracy.
♻ ☆ Open-Set Graph Anomaly Detection via Normal Structure Regularisation ICLR 2025
This paper considers an important Graph Anomaly Detection (GAD) task, namely open-set GAD, which aims to train a detection model using a small number of normal and anomaly nodes (referred to as seen anomalies) to detect both seen anomalies and unseen anomalies (i.e., anomalies that cannot be illustrated the training anomalies). Those labelled training data provide crucial prior knowledge about abnormalities for GAD models, enabling substantially reduced detection errors. However, current supervised GAD methods tend to over-emphasise fitting the seen anomalies, leading to many errors of detecting the unseen anomalies as normal nodes. Further, existing open-set AD models were introduced to handle Euclidean data, failing to effectively capture discriminative features from graph structure and node attributes for GAD. In this work, we propose a novel open-set GAD approach, namely normal structure regularisation (NSReg), to achieve generalised detection ability to unseen anomalies, while maintaining its effectiveness on detecting seen anomalies. The key idea in NSReg is to introduce a regularisation term that enforces the learning of compact, semantically-rich representations of normal nodes based on their structural relations to other nodes. When being optimised with supervised anomaly detection losses, the regularisation term helps incorporate strong normality into the modelling, and thus, it effectively avoids over-fitting the seen anomalies and learns a better normality decision boundary, largely reducing the false negatives of detecting unseen anomalies as normal. Extensive empirical results on seven real-world datasets show that NSReg significantly outperforms state-of-the-art competing methods by at least 14% AUC-ROC on the unseen anomaly classes and by 10% AUC-ROC on all anomaly classes.
comment: Accepted by ICLR 2025
♻ ☆ Kinetics: Rethinking Test-Time Scaling Laws
We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-$N$, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential and increasingly important with more computing invested, for realizing the full potential of test-time scaling where, unlike training, accuracy has yet to saturate as a function of computation, and continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.
♻ ☆ RL2Grid: Benchmarking Reinforcement Learning in Power Grid Operations
Reinforcement learning (RL) can provide adaptive and scalable controllers essential for power grid decarbonization. However, RL methods struggle with power grids' complex dynamics, long-horizon goals, and hard physical constraints. For these reasons, we present RL2Grid, a benchmark designed in collaboration with power system operators to accelerate progress in grid control and foster RL maturity. Built on RTE France's power simulation framework, RL2Grid standardizes tasks, state and action spaces, and reward structures for a systematic evaluation and comparison of RL algorithms. Moreover, we integrate operational heuristics and design safety constraints based on human expertise to ensure alignment with physical requirements. By establishing reference performance metrics for classic RL baselines on RL2Grid's tasks, we highlight the need for novel methods capable of handling real systems and discuss future directions for RL-based grid control.
♻ ☆ Adaptive Guidance Accelerates Reinforcement Learning of Reasoning Models
We study the process through which reasoning models trained with reinforcement learning on verifiable rewards (RLVR) can learn to solve new problems. We find that RLVR drives performance in two main ways: (1) by compressing pass@$k$ into pass@1 and (2) via "capability gain" in which models learn to solve new problems that they previously could not solve even at high $k$. We find that while capability gain exists across model scales, learning to solve new problems is primarily driven through self-distillation. We demonstrate these findings across model scales ranging from 0.5B to 72B parameters on >500,000 reasoning problems with prompts and verifiable final answers across math, science, and code domains. We further show that we can significantly improve pass@$k$ rates by leveraging natural language guidance for the model to consider within context while still requiring the model to derive a solution chain from scratch. Based of these insights, we derive $\text{Guide}$ -- a new class of online training algorithms. $\text{Guide}$ adaptively incorporates hints into the model's context on problems for which all rollouts were initially incorrect and adjusts the importance sampling ratio for the "off-policy" trajectories in order to optimize the policy for contexts in which the hints are no longer present. We describe variants of $\text{Guide}$ for GRPO and PPO and empirically show that Guide-GRPO on 7B and 32B parameter models improves generalization over its vanilla counterpart with up to 4$\%$ macro-average improvement across math benchmarks. We include careful ablations to analyze $\text{Guide}$'s components and theoretically analyze Guide's learning efficiency.
♻ ☆ Near Optimal Decision Trees in a SPLIT Second ICML 2025
Decision tree optimization is fundamental to interpretable machine learning. The most popular approach is to greedily search for the best feature at every decision point, which is fast but provably suboptimal. Recent approaches find the global optimum using branch and bound with dynamic programming, showing substantial improvements in accuracy and sparsity at great cost to scalability. An ideal solution would have the accuracy of an optimal method and the scalability of a greedy method. We introduce a family of algorithms called SPLIT (SParse Lookahead for Interpretable Trees) that moves us significantly forward in achieving this ideal balance. We demonstrate that not all sub-problems need to be solved to optimality to find high quality trees; greediness suffices near the leaves. Since each depth adds an exponential number of possible trees, this change makes our algorithms orders of magnitude faster than existing optimal methods, with negligible loss in performance. We extend this algorithm to allow scalable computation of sets of near-optimal trees (i.e., the Rashomon set).
comment: Accepted to ICML 2025 (Oral)
Quantitative Methods 3
☆ EHCube4P: Learning Epistatic Patterns Through Hypercube Graph Convolution Neural Network for Protein Fitness Function Estimation
Understanding the relationship between protein sequences and their functions is fundamental to protein engineering, but this task is hindered by the combinatorially vast sequence space and the experimental noise inherent in fitness measurements. In this study, we present a novel framework that models the sequence landscape as a hypercube $H(k,2)$ and integrates wavelet-based signal denoising with a graph convolutional neural network (GCN) to predict protein fitness across rugged fitness landscapes. Using a dataset of 419 experimentally measured mutant sequences of the Tobacco 5-Epi-Aristolochene Synthase (TEAS) enzyme, we preprocess the fitness signals using a 1-D discrete wavelet transform with a Daubechies-3 basis to suppress experimental noise while preserving local epistatic patterns. Our model comprises two GCN layers, allowing for beyond pairwise aggregation, followed by a multi-layer perceptron (MLP). We show that our approach, EHCube4P, generalizes well across different enzyme activity datasets and effectively captures higher-order mutational interactions. Performance varies with the ruggedness of the fitness landscape, with smoother signals yielding higher test set $r^2$ scores. These results demonstrate that combining wavelet preprocessing with graph-based deep learning enhances the robustness and generalization of fitness prediction, particularly for sparse and noisy biological datasets. The approach provides a scalable and interpretable framework for protein fitness estimation applicable to a broad range of combinatorial biological systems.
comment: 12 pages, 4 figures, 1 table
☆ A practical identifiability criterion leveraging weak-form parameter estimation
In this work, we define a practical identifiability criterion, (e, q)-identifiability, based on a parameter e, reflecting the noise in observed variables, and a parameter q, reflecting the mean-square error of the parameter estimator. This criterion is better able to encompass changes in the quality of the parameter estimate due to increased noise in the data (compared to existing criteria based solely on average relative errors). Furthermore, we leverage a weak-form equation error-based method of parameter estimation for systems with unobserved variables to assess practical identifiability far more quickly in comparison to output error-based parameter estimation. We do so by generating weak-form input-output equations using differential algebra techniques, as previously proposed by Boulier et al [1], and then applying Weak form Estimation of Nonlinear Dynamics (WENDy) to obtain parameter estimates. This method is computationally efficient and robust to noise, as demonstrated through two classical biological modelling examples.
♻ ☆ CINNAMON: A hybrid approach to change point detection and parameter estimation in single-particle tracking data
Change point detection has become an important part of the analysis of the single-particle tracking data, as it allows one to identify moments, in which the motion patterns of observed particles undergo significant changes. The segmentation of diffusive trajectories based on those moments may provide insight into various phenomena in soft condensed matter and biological physics. In this paper, we propose CINNAMON, a hybrid approach to classifying single-particle tracking trajectories, detecting change points within them, and estimating diffusion parameters in the segments between the change points. Our method is based on a combination of neural networks, feature-based machine learning, and statistical techniques. It has been benchmarked in the second Anomalous Diffusion Challenge. The method offers a high level of interpretability due to its analytical and feature-based components. A potential use of features from topological data analysis is also discussed.
Cell Behavior 1
☆ Inferring Exocytosis Profiles from Cell Shapes Using a Dual-Configuration Model of Walled Cell Tip Growth
Tip growth in filamentous cells, such as root hairs, moss protonemata, and fungal hyphae, depends on coordinated cell wall extension driven by turgor pressure, wall mechanics, and exocytosis. We introduce a dual-configuration model that incorporates both turgid and unturgid states to describe cell wall growth as the combined effect of elastic deformation and irreversible extension. This framework infers exocytosis profiles directly from cell morphology and elastic stretches, formulated as an initial value problem based on the self-similarity condition. Applying the model to Medicago truncatula root hairs, moss Physcomitrium patens protonemata, and hyphoid-like shapes, we find that exocytosis peaks at the tip in tapered cells but shifts to an annular region away from the apex in flatter-tip cells beyond a threshold. The model generalizes previous fluid models and provides a mechanistic link between exocytosis distribution and cell shape, explaining observed variations in tip-growing cells across species.
Computation and Language 23
☆ Arch-Router: Aligning LLM Routing with Human Preferences
With the rapid proliferation of large language models (LLMs) -- each optimized for different strengths, style, or latency/cost profile -- routing has become an essential technique to operationalize the use of different models. However, existing LLM routing approaches are limited in two key ways: they evaluate performance using benchmarks that often fail to capture human preferences driven by subjective evaluation criteria, and they typically select from a limited pool of models. In this work, we propose a preference-aligned routing framework that guides model selection by matching queries to user-defined domains (e.g., travel) or action types (e.g., image editing) -- offering a practical mechanism to encode preferences in routing decisions. Specifically, we introduce \textbf{Arch-Router}, a compact 1.5B model that learns to map queries to domain-action preferences for model routing decisions. Our approach also supports seamlessly adding new models for routing without requiring retraining or architectural modifications. Experiments on conversational datasets demonstrate that our approach achieves state-of-the-art (SOTA) results in matching queries with human preferences, outperforming top proprietary models. Our approach captures subjective evaluation criteria and makes routing decisions more transparent and flexible. Our model is available at: \texttt{https://huggingface.co/katanemo/Arch-Router-1.5B}.
☆ Long-Context Generalization with Sparse Attention
Transformer-based architectures traditionally employ softmax to compute attention weights, which produces dense distributions over all tokens in a sequence. While effective in many settings, this density has been shown to be detrimental for tasks that demand precise focus on fixed-size patterns: as sequence length increases, non-informative tokens accumulate attention probability mass, leading to dispersion and representational collapse. We show in this paper that sparse attention mechanisms using $\alpha$-entmax can avoid these issues, due to their ability to assign exact zeros to irrelevant tokens. Furthermore, we introduce Adaptive-Scalable Entmax (ASEntmax), which endows $\alpha$-entmax with a learnable temperature parameter, allowing the attention distribution to interpolate between sparse (pattern-focused) and dense (softmax-like) regimes. Finally, we show that the ability to locate and generalize fixed-size patterns can be further improved through a careful design of position encodings, which impacts both dense and sparse attention methods. By integrating ASEntmax into standard transformer layers alongside proper positional encodings, we show that our models greatly outperform softmax, scalable softmax, and fixed-temperature $\alpha$-entmax baselines on long-context generalization.
☆ GeoGuess: Multimodal Reasoning based on Hierarchy of Visual Information in Street View
Multimodal reasoning is a process of understanding, integrating and inferring information across different data modalities. It has recently attracted surging academic attention as a benchmark for Artificial Intelligence (AI). Although there are various tasks for evaluating multimodal reasoning ability, they still have limitations. Lack of reasoning on hierarchical visual clues at different levels of granularity, e.g., local details and global context, is of little discussion, despite its frequent involvement in real scenarios. To bridge the gap, we introduce a novel and challenging task for multimodal reasoning, namely GeoGuess. Given a street view image, the task is to identify its location and provide a detailed explanation. A system that succeeds in GeoGuess should be able to detect tiny visual clues, perceive the broader landscape, and associate with vast geographic knowledge. Therefore, GeoGuess would require the ability to reason between hierarchical visual information and geographic knowledge. In this work, we establish a benchmark for GeoGuess by introducing a specially curated dataset GeoExplain which consists of panoramas-geocoordinates-explanation tuples. Additionally, we present a multimodal and multilevel reasoning method, namely SightSense which can make prediction and generate comprehensive explanation based on hierarchy of visual information and external knowledge. Our analysis and experiments demonstrate their outstanding performance in GeoGuess.
☆ Initial Investigation of LLM-Assisted Development of Rule-Based Clinical NLP System
Despite advances in machine learning (ML) and large language models (LLMs), rule-based natural language processing (NLP) systems remain active in clinical settings due to their interpretability and operational efficiency. However, their manual development and maintenance are labor-intensive, particularly in tasks with large linguistic variability. To overcome these limitations, we proposed a novel approach employing LLMs solely during the rule-based systems development phase. We conducted the initial experiments focusing on the first two steps of developing a rule-based NLP pipeline: find relevant snippets from the clinical note; extract informative keywords from the snippets for the rule-based named entity recognition (NER) component. Our experiments demonstrated exceptional recall in identifying clinically relevant text snippets (Deepseek: 0.98, Qwen: 0.99) and 1.0 in extracting key terms for NER. This study sheds light on a promising new direction for NLP development, enabling semi-automated or automated development of rule-based systems with significantly faster, more cost-effective, and transparent execution compared with deep learning model-based solutions.
☆ Modeling Public Perceptions of Science in Media
Effectively engaging the public with science is vital for fostering trust and understanding in our scientific community. Yet, with an ever-growing volume of information, science communicators struggle to anticipate how audiences will perceive and interact with scientific news. In this paper, we introduce a computational framework that models public perception across twelve dimensions, such as newsworthiness, importance, and surprisingness. Using this framework, we create a large-scale science news perception dataset with 10,489 annotations from 2,101 participants from diverse US and UK populations, providing valuable insights into public responses to scientific information across domains. We further develop NLP models that predict public perception scores with a strong performance. Leveraging the dataset and model, we examine public perception of science from two perspectives: (1) Perception as an outcome: What factors affect the public perception of scientific information? (2) Perception as a predictor: Can we use the estimated perceptions to predict public engagement with science? We find that individuals' frequency of science news consumption is the driver of perception, whereas demographic factors exert minimal influence. More importantly, through a large-scale analysis and carefully designed natural experiment on Reddit, we demonstrate that the estimated public perception of scientific information has direct connections with the final engagement pattern. Posts with more positive perception scores receive significantly more comments and upvotes, which is consistent across different scientific information and for the same science, but are framed differently. Overall, this research underscores the importance of nuanced perception modeling in science communication, offering new pathways to predict public interest and engagement with scientific content.
☆ A Scoping Review of Synthetic Data Generation for Biomedical Research and Applications
Synthetic data generation--mitigating data scarcity, privacy concerns, and data quality challenges in biomedical fields--has been facilitated by rapid advances of large language models (LLMs). This scoping review follows PRISMA-ScR guidelines and synthesizes 59 studies, published between 2020 and 2025 and collected from PubMed, ACM, Web of Science, and Google Scholar. The review systematically examines biomedical research and application trends in synthetic data generation, emphasizing clinical applications, methodologies, and evaluations. Our analysis identifies data modalities of unstructured texts (78.0%), tabular data (13.6%), and multimodal sources (8.4%); generation methods of prompting (72.9%), fine-tuning (22.0%) LLMs and specialized model (5.1%); and heterogeneous evaluations of intrinsic metrics (27.1%), human-in-the-loop assessments (55.9%), and LLM-based evaluations (13.6%). The analysis addresses current limitations in what, where, and how health professionals can leverage synthetic data generation for biomedical domains. Our review also highlights challenges in adaption across clinical domains, resource and model accessibility, and evaluation standardizations.
☆ Measuring (a Sufficient) World Model in LLMs: A Variance Decomposition Framework
Understanding whether large language models (LLMs) possess a world model-a structured understanding of the world that supports generalization beyond surface-level patterns-is central to assessing their reliability, especially in high-stakes applications. We propose a formal framework for evaluating whether an LLM exhibits a sufficiently robust world model, defined as producing consistent outputs across semantically equivalent prompts while distinguishing between prompts that express different intents. We introduce a new evaluation approach to measure this that decomposes model response variability into three components: variability due to user purpose, user articulation, and model instability. An LLM with a strong world model should attribute most of the variability in its responses to changes in foundational purpose rather than superficial changes in articulation. This approach allows us to quantify how much of a model's behavior is semantically grounded rather than driven by model instability or alternative wording. We apply this framework to evaluate LLMs across diverse domains. Our results show how larger models attribute a greater share of output variability to changes in user purpose, indicating a more robust world model. This improvement is not uniform, however: larger models do not consistently outperform smaller ones across all domains, and their advantage in robustness is often modest. These findings highlight the importance of moving beyond accuracy-based benchmarks toward semantic diagnostics that more directly assess the structure and stability of a model's internal understanding of the world.
☆ Streaming Non-Autoregressive Model for Accent Conversion and Pronunciation Improvement
We propose a first streaming accent conversion (AC) model that transforms non-native speech into a native-like accent while preserving speaker identity, prosody and improving pronunciation. Our approach enables stream processing by modifying a previous AC architecture with an Emformer encoder and an optimized inference mechanism. Additionally, we integrate a native text-to-speech (TTS) model to generate ideal ground-truth data for efficient training. Our streaming AC model achieves comparable performance to the top AC models while maintaining stable latency, making it the first AC system capable of streaming.
comment: Accepted to INTERSPEECH 2025
☆ Advancing Harmful Content Detection in Organizational Research: Integrating Large Language Models with Elo Rating System
Large language models (LLMs) offer promising opportunities for organizational research. However, their built-in moderation systems can create problems when researchers try to analyze harmful content, often refusing to follow certain instructions or producing overly cautious responses that undermine validity of the results. This is particularly problematic when analyzing organizational conflicts such as microaggressions or hate speech. This paper introduces an Elo rating-based method that significantly improves LLM performance for harmful content analysis In two datasets, one focused on microaggression detection and the other on hate speech, we find that our method outperforms traditional LLM prompting techniques and conventional machine learning models on key measures such as accuracy, precision, and F1 scores. Advantages include better reliability when analyzing harmful content, fewer false positives, and greater scalability for large-scale datasets. This approach supports organizational applications, including detecting workplace harassment, assessing toxic communication, and fostering safer and more inclusive work environments.
comment: Submitted for HICSS 2025 (Hawaii International Conference on System Sciences); under review
☆ Weight Factorization and Centralization for Continual Learning in Speech Recognition
Modern neural network based speech recognition models are required to continually absorb new data without re-training the whole system, especially in downstream applications using foundation models, having no access to the original training data. Continually training the models in a rehearsal-free, multilingual, and language agnostic condition, likely leads to catastrophic forgetting, when a seemingly insignificant disruption to the weights can destructively harm the quality of the models. Inspired by the ability of human brains to learn and consolidate knowledge through the waking-sleeping cycle, we propose a continual learning approach with two distinct phases: factorization and centralization, learning and merging knowledge accordingly. Our experiments on a sequence of varied code-switching datasets showed that the centralization stage can effectively prevent catastrophic forgetting by accumulating the knowledge in multiple scattering low-rank adapters.
comment: Accepted to INTERSPEECH 2025
☆ Automatic Speech Recognition Biases in Newcastle English: an Error Analysis
Automatic Speech Recognition (ASR) systems struggle with regional dialects due to biased training which favours mainstream varieties. While previous research has identified racial, age, and gender biases in ASR, regional bias remains underexamined. This study investigates ASR performance on Newcastle English, a well-documented regional dialect known to be challenging for ASR. A two-stage analysis was conducted: first, a manual error analysis on a subsample identified key phonological, lexical, and morphosyntactic errors behind ASR misrecognitions; second, a case study focused on the systematic analysis of ASR recognition of the regional pronouns ``yous'' and ``wor''. Results show that ASR errors directly correlate with regional dialectal features, while social factors play a lesser role in ASR mismatches. We advocate for greater dialectal diversity in ASR training data and highlight the value of sociolinguistic analysis in diagnosing and addressing regional biases.
comment: Submitted to Interspeech 2025
☆ Revela: Dense Retriever Learning via Language Modeling
Dense retrievers play a vital role in accessing external and specialized knowledge to augment language models (LMs). Training dense retrievers typically requires annotated query-document pairs, which are costly and hard to obtain in specialized domains such as code-motivating growing interest in self-supervised retriever learning. Since LMs are trained to capture token-level dependencies through a self-supervised learning objective (i.e., next-token prediction), we can analogously cast retrieval as learning dependencies among chunks of tokens. This analogy naturally leads to the question: How can we adapt self-supervised learning objectives in the spirit of language modeling to train retrievers? To answer this question, we introduce Revela, a unified and scalable training framework for self-supervised retriever learning via language modeling. Revela models semantic dependencies among documents by conditioning next-token prediction on both local and cross-document context through an in-batch attention mechanism. This attention is weighted by retriever-computed similarity scores, enabling the retriever to be optimized as part of language modeling. We evaluate Revela on both general-domain (BEIR) and domain-specific (CoIR) benchmarks across various retriever backbones. At a comparable parameter scale, Revela outperforms the previous best method with absolute improvements of 5.2 % (18.3 % relative) and 5.6 % (14.4 % relative) on NDCG@10, respectively, underscoring its effectiveness. Performance increases with model size, highlighting both the scalability of our approach and its promise for self-supervised retriever learning.
♻ ☆ Learning to Route LLMs with Confidence Tokens
Large language models (LLMs) have demonstrated impressive performance on several tasks and are increasingly deployed in real-world applications. However, especially in high-stakes settings, it becomes vital to know when the output of an LLM may be unreliable. Depending on whether an answer is trustworthy, a system can then choose to route the question to another expert, or otherwise fall back on a safe default behavior. In this work, we study the extent to which LLMs can reliably indicate confidence in their answers, and how this notion of confidence can translate into downstream accuracy gains. We propose Self-Reflection with Error-based Feedback (Self-REF), a lightweight training strategy to teach LLMs to express confidence in whether their answers are correct in a reliable manner. Self-REF introduces confidence tokens into the LLM, from which a confidence score can be extracted. Compared to conventional approaches such as verbalizing confidence and examining token probabilities, we demonstrate empirically that confidence tokens show significant improvements in downstream routing and rejection learning tasks.
♻ ☆ Layer-wise Alignment: Examining Safety Alignment Across Image Encoder Layers in Vision Language Models ICML 2025
Vision-language models (VLMs) have improved significantly in their capabilities, but their complex architecture makes their safety alignment challenging. In this paper, we reveal an uneven distribution of harmful information across the intermediate layers of the image encoder and show that skipping a certain set of layers and exiting early can increase the chance of the VLM generating harmful responses. We call it as "Image enCoder Early-exiT" based vulnerability (ICET). Our experiments across three VLMs: LLaVA-1.5, LLaVA-NeXT, and Llama 3.2, show that performing early exits from the image encoder significantly increases the likelihood of generating harmful outputs. To tackle this, we propose a simple yet effective modification of the Clipped-Proximal Policy Optimization (Clip-PPO) algorithm for performing layer-wise multi-modal RLHF for VLMs. We term this as Layer-Wise PPO (L-PPO). We evaluate our L-PPO algorithm across three multimodal datasets and show that it consistently reduces the harmfulness caused by early exits.
comment: Accepted by ICML 2025 as a spotlight poster
♻ ☆ Voice of a Continent: Mapping Africa's Speech Technology Frontier
Africa's rich linguistic diversity remains significantly underrepresented in speech technologies, creating barriers to digital inclusion. To alleviate this challenge, we systematically map the continent's speech space of datasets and technologies, leading to a new comprehensive benchmark SimbaBench for downstream African speech tasks. Using SimbaBench, we introduce the Simba family of models, achieving state-of-the-art performance across multiple African languages and speech tasks. Our benchmark analysis reveals critical patterns in resource availability, while our model evaluation demonstrates how dataset quality, domain diversity, and language family relationships influence performance across languages. Our work highlights the need for expanded speech technology resources that better reflect Africa's linguistic diversity and provides a solid foundation for future research and development efforts toward more inclusive speech technologies.
♻ ☆ From RAG to Memory: Non-Parametric Continual Learning for Large Language Models ICML 2025
Our ability to continuously acquire, organize, and leverage knowledge is a key feature of human intelligence that AI systems must approximate to unlock their full potential. Given the challenges in continual learning with large language models (LLMs), retrieval-augmented generation (RAG) has become the dominant way to introduce new information. However, its reliance on vector retrieval hinders its ability to mimic the dynamic and interconnected nature of human long-term memory. Recent RAG approaches augment vector embeddings with various structures like knowledge graphs to address some of these gaps, namely sense-making and associativity. However, their performance on more basic factual memory tasks drops considerably below standard RAG. We address this unintended deterioration and propose HippoRAG 2, a framework that outperforms standard RAG comprehensively on factual, sense-making, and associative memory tasks. HippoRAG 2 builds upon the Personalized PageRank algorithm used in HippoRAG and enhances it with deeper passage integration and more effective online use of an LLM. This combination pushes this RAG system closer to the effectiveness of human long-term memory, achieving a 7% improvement in associative memory tasks over the state-of-the-art embedding model while also exhibiting superior factual knowledge and sense-making memory capabilities. This work paves the way for non-parametric continual learning for LLMs. Code and data are available at https://github.com/OSU-NLP-Group/HippoRAG.
comment: ICML 2025. Code and data are available at: https://github.com/OSU-NLP-Group/HippoRAG
♻ ☆ A Survey of Automatic Hallucination Evaluation on Natural Language Generation
The proliferation of Large Language Models (LLMs) has introduced a critical challenge: accurate hallucination evaluation that ensures model reliability. While Automatic Hallucination Evaluation (AHE) has emerged as essential, the field suffers from methodological fragmentation, hindering both theoretical understanding and practical advancement. This survey addresses this critical gap through a comprehensive analysis of 74 evaluation methods, revealing that 74% specifically target LLMs, a paradigm shift that demands new evaluation frameworks. We formulate a unified evaluation pipeline encompassing datasets and benchmarks, evidence collection strategies, and comparison mechanisms, systematically documenting the evolution from pre-LLM to post-LLM methodologies. Beyond taxonomical organization, we identify fundamental limitations in current approaches and their implications for real-world deployment. To guide future research, we delineate key challenges and propose strategic directions, including enhanced interpretability mechanisms and integration of application-specific evaluation criteria, ultimately providing a roadmap for developing more robust and practical hallucination evaluation systems.
comment: 30 pages
♻ ☆ Learning to Refine with Fine-Grained Natural Language Feedback EMNLP 2024
Recent work has explored the capability of large language models (LLMs) to identify and correct errors in LLM-generated responses. These refinement approaches frequently evaluate what sizes of models are able to do refinement for what problems, but less attention is paid to what effective feedback for refinement looks like. In this work, we propose looking at refinement with feedback as a composition of three distinct LLM competencies: (1) detection of bad generations; (2) fine-grained natural language critique generation; (3) refining with fine-grained feedback. The first step can be implemented with a high-performing discriminative model and steps 2 and 3 can be implemented either via prompted or fine-tuned LLMs. A key property of the proposed Detect, Critique, Refine ("DCR") method is that the step 2 critique model can give fine-grained feedback about errors, made possible by offloading the discrimination to a separate model in step 1. We show that models of different capabilities benefit from refining with DCR on the task of improving factual consistency of document grounded summaries. Overall, DCR consistently outperforms existing end-to-end refinement approaches and current trained models not fine-tuned for factuality critiquing.
comment: Code and models available at: https://github.com/ManyaWadhwa/DCR; Findings of EMNLP 2024
♻ ☆ Using Natural Language Explanations to Rescale Human Judgments
The rise of large language models (LLMs) has brought a critical need for high-quality human-labeled data, particularly for processes like human feedback and evaluation. A common practice is to label data via consensus annotation over human judgments. However, annotators' judgments for subjective tasks can differ in many ways: they may reflect different qualitative judgments about an example, and they may be mapped to a labeling scheme in different ways. We show that these nuances can be captured by natural language explanations, and propose a method to rescale ordinal annotations and explanations using LLMs. Specifically, we feed annotators' Likert ratings and corresponding explanations into an LLM and prompt it to produce a numeric score anchored in a scoring rubric. These scores should reflect the annotators' underlying assessments of the example. The rubric can be designed or modified after annotation, and include distinctions that may not have been known when the original error taxonomy was devised. We explore our technique in the context of rating system outputs for a document-grounded question answering task, where LLMs achieve near-human performance. Our method rescales the raw judgments without impacting agreement and brings the scores closer to human judgments grounded in the same scoring rubric.
comment: Accepted to COLM 2024; code and data: https://github.com/ManyaWadhwa/explanation_based_rescaling
♻ ☆ A Implies B: Circuit Analysis in LLMs for Propositional Logical Reasoning
Due to the size and complexity of modern large language models (LLMs), it has proven challenging to uncover the underlying mechanisms that models use to solve reasoning problems. For instance, is their reasoning for a specific problem localized to certain parts of the network? Do they break down the reasoning problem into modular components that are then executed as sequential steps as we go deeper in the model? To better understand the reasoning capability of LLMs, we study a minimal propositional logic problem that requires combining multiple facts to arrive at a solution. By studying this problem on Mistral and Gemma models, up to 27B parameters, we illuminate the core components the models use to solve such logic problems. From a mechanistic interpretability point of view, we use causal mediation analysis to uncover the pathways and components of the LLMs' reasoning processes. Then, we offer fine-grained insights into the functions of attention heads in different layers. We not only find a sparse circuit that computes the answer, but we decompose it into sub-circuits that have four distinct and modular uses. Finally, we reveal that three distinct models -- Mistral-7B, Gemma-2-9B and Gemma-2-27B -- contain analogous but not identical mechanisms.
♻ ☆ MultiFinBen: A Multilingual, Multimodal, and Difficulty-Aware Benchmark for Financial LLM Evaluation
Recent advances in large language models (LLMs) have accelerated progress in financial NLP and applications, yet existing benchmarks remain limited to monolingual and unimodal settings, often over-relying on simple tasks and failing to reflect the complexity of real-world financial communication. We introduce MultiFinBen, the first multilingual and multimodal benchmark tailored to the global financial domain, evaluating LLMs across modalities (text, vision, audio) and linguistic settings (monolingual, bilingual, multilingual) on domain-specific tasks. We introduce two novel tasks, including PolyFiQA-Easy and PolyFiQA-Expert, the first multilingual financial benchmarks requiring models to perform complex reasoning over mixed-language inputs; and EnglishOCR and SpanishOCR, the first OCR-embedded financial QA tasks challenging models to extract and reason over information from visual-text financial documents. Moreover, we propose a dynamic, difficulty-aware selection mechanism and curate a compact, balanced benchmark rather than simple aggregation existing datasets. Extensive evaluation of 22 state-of-the-art models reveals that even the strongest models, despite their general multimodal and multilingual capabilities, struggle dramatically when faced with complex cross-lingual and multimodal tasks in financial domain. MultiFinBen is publicly released to foster transparent, reproducible, and inclusive progress in financial studies and applications.
♻ ☆ AutoPresent: Designing Structured Visuals from Scratch
Designing structured visuals such as presentation slides is essential for communicative needs, necessitating both content creation and visual planning skills. In this work, we tackle the challenge of automated slide generation, where models produce slide presentations from natural language (NL) instructions. We first introduce the SlidesBench benchmark, the first benchmark for slide generation with 7k training and 585 testing examples derived from 310 slide decks across 10 domains. SlidesBench supports evaluations that are (i)reference-based to measure similarity to a target slide, and (ii)reference-free to measure the design quality of generated slides alone. We benchmark end-to-end image generation and program generation methods with a variety of models, and find that programmatic methods produce higher-quality slides in user-interactable formats. Built on the success of program generation, we create AutoPresent, an 8B Llama-based model trained on 7k pairs of instructions paired with code for slide generation, and achieve results comparable to the closed-source model GPT-4o. We further explore iterative design refinement where the model is tasked to self-refine its own output, and we found that this process improves the slide's quality. We hope that our work will provide a basis for future work on generating structured visuals.
♻ ☆ Song Form-aware Full-Song Text-to-Lyrics Generation with Multi-Level Granularity Syllable Count Control
Lyrics generation presents unique challenges, particularly in achieving precise syllable control while adhering to song form structures such as verses and choruses. Conventional line-by-line approaches often lead to unnatural phrasing, underscoring the need for more granular syllable management. We propose a framework for lyrics generation that enables multi-level syllable control at the word, phrase, line, and paragraph levels, aware of song form. Our approach generates complete lyrics conditioned on input text and song form, ensuring alignment with specified syllable constraints. Generated lyrics samples are available at: https://tinyurl.com/lyrics9999
comment: Accepted to Interspeech 2025
Machine Learning 162
Relational Deep Learning: Challenges, Foundations and Next-Generation Architectures
Graph machine learning has led to a significant increase in the capabilities of models that learn on arbitrary graph-structured data and has been applied to molecules, social networks, recommendation systems, and transportation, among other domains. Data in multi-tabular relational databases can also be constructed as 'relational entity graphs' for Relational Deep Learning (RDL) - a new blueprint that enables end-to-end representation learning without traditional feature engineering. Compared to arbitrary graph-structured data, relational entity graphs have key properties: (i) their structure is defined by primary-foreign key relationships between entities in different tables, (ii) the structural connectivity is a function of the relational schema defining a database, and (iii) the graph connectivity is temporal and heterogeneous in nature. In this paper, we provide a comprehensive review of RDL by first introducing the representation of relational databases as relational entity graphs, and then reviewing public benchmark datasets that have been used to develop and evaluate recent GNN-based RDL models. We discuss key challenges including large-scale multi-table integration and the complexities of modeling temporal dynamics and heterogeneous data, while also surveying foundational neural network methods and recent architectural advances specialized for relational entity graphs. Finally, we explore opportunities to unify these distinct modeling challenges, highlighting how RDL converges multiple sub-fields in graph machine learning towards the design of foundation models that can transform the processing of relational data.
LLMs in Coding and their Impact on the Commercial Software Engineering Landscape
Large-language-model coding tools are now mainstream in software engineering. But as these same tools move human effort up the development stack, they present fresh dangers: 10% of real prompts leak private data, 42% of generated snippets hide security flaws, and the models can even ``agree'' with wrong ideas, a trait called sycophancy. We argue that firms must tag and review every AI-generated line of code, keep prompts and outputs inside private or on-premises deployments, obey emerging safety regulations, and add tests that catch sycophantic answers -- so they can gain speed without losing security and accuracy.
☆ CodeDiffuser: Attention-Enhanced Diffusion Policy via VLM-Generated Code for Instruction Ambiguity
Natural language instructions for robotic manipulation tasks often exhibit ambiguity and vagueness. For instance, the instruction "Hang a mug on the mug tree" may involve multiple valid actions if there are several mugs and branches to choose from. Existing language-conditioned policies typically rely on end-to-end models that jointly handle high-level semantic understanding and low-level action generation, which can result in suboptimal performance due to their lack of modularity and interpretability. To address these challenges, we introduce a novel robotic manipulation framework that can accomplish tasks specified by potentially ambiguous natural language. This framework employs a Vision-Language Model (VLM) to interpret abstract concepts in natural language instructions and generates task-specific code - an interpretable and executable intermediate representation. The generated code interfaces with the perception module to produce 3D attention maps that highlight task-relevant regions by integrating spatial and semantic information, effectively resolving ambiguities in instructions. Through extensive experiments, we identify key limitations of current imitation learning methods, such as poor adaptation to language and environmental variations. We show that our approach excels across challenging manipulation tasks involving language ambiguity, contact-rich manipulation, and multi-object interactions.
comment: Accepted to Robotics: Science and Systems (RSS) 2025. The first three authors contributed equally. Project Page: https://robopil.github.io/code-diffuser/
☆ A Distributional-Lifting Theorem for PAC Learning
The apparent difficulty of efficient distribution-free PAC learning has led to a large body of work on distribution-specific learning. Distributional assumptions facilitate the design of efficient algorithms but also limit their reach and relevance. Towards addressing this, we prove a distributional-lifting theorem: This upgrades a learner that succeeds with respect to a limited distribution family $\mathcal{D}$ to one that succeeds with respect to any distribution $D^\star$, with an efficiency overhead that scales with the complexity of expressing $D^\star$ as a mixture of distributions in $\mathcal{D}$. Recent work of Blanc, Lange, Malik, and Tan considered the special case of lifting uniform-distribution learners and designed a lifter that uses a conditional sample oracle for $D^\star$, a strong form of access not afforded by the standard PAC model. Their approach, which draws on ideas from semi-supervised learning, first learns $D^\star$ and then uses this information to lift. We show that their approach is information-theoretically intractable with access only to random examples, thereby giving formal justification for their use of the conditional sample oracle. We then take a different approach that sidesteps the need to learn $D^\star$, yielding a lifter that works in the standard PAC model and enjoys additional advantages: it works for all base distribution families, preserves the noise tolerance of learners, has better sample complexity, and is simpler.
comment: COLT 2025
☆ Semantic Outlier Removal with Embedding Models and LLMs ACL 2025
Modern text processing pipelines demand robust methods to remove extraneous content while preserving a document's core message. Traditional approaches such as HTML boilerplate extraction or keyword filters often fail in multilingual settings and struggle with context-sensitive nuances, whereas Large Language Models (LLMs) offer improved quality at high computational cost. We introduce SORE (Semantic Outlier Removal), a cost-effective, transparent method that leverages multilingual sentence embeddings and approximate nearest-neighbor search to identify and excise unwanted text segments. By first identifying core content via metadata embedding and then flagging segments that either closely match predefined outlier groups or deviate significantly from the core, SORE achieves near-LLM extraction precision at a fraction of the cost. Experiments on HTML datasets demonstrate that SORE outperforms structural methods and yield high precision in diverse scenarios. Our system is currently deployed in production, processing millions of documents daily across multiple languages while maintaining both efficiency and accuracy. To facilitate reproducibility and further research, we release our implementation and evaluation datasets.
comment: Accepted to the 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025) Industry Track, 10 pages
☆ Latent Noise Injection for Private and Statistically Aligned Synthetic Data Generation
Synthetic Data Generation has become essential for scalable, privacy-preserving statistical analysis. While standard approaches based on generative models, such as Normalizing Flows, have been widely used, they often suffer from slow convergence in high-dimensional settings, frequently converging more slowly than the canonical $1/\sqrt{n}$ rate when approximating the true data distribution. To overcome these limitations, we propose a Latent Noise Injection method using Masked Autoregressive Flows (MAF). Instead of directly sampling from the trained model, our method perturbs each data point in the latent space and maps it back to the data domain. This construction preserves a one to one correspondence between observed and synthetic data, enabling synthetic outputs that closely reflect the underlying distribution, particularly in challenging high-dimensional regimes where traditional sampling struggles. Our procedure satisfies local $(\epsilon, \delta)$-differential privacy and introduces a single perturbation parameter to control the privacy-utility trade-off. Although estimators based on individual synthetic datasets may converge slowly, we show both theoretically and empirically that aggregating across $K$ studies in a meta analysis framework restores classical efficiency and yields consistent, reliable inference. We demonstrate that with a well-calibrated perturbation parameter, Latent Noise Injection achieves strong statistical alignment with the original data and robustness against membership inference attacks. These results position our method as a compelling alternative to conventional flow-based sampling for synthetic data sharing in decentralized and privacy-sensitive domains, such as biomedical research.
☆ Learning Causally Predictable Outcomes from Psychiatric Longitudinal Data
Causal inference in longitudinal biomedical data remains a central challenge, especially in psychiatry, where symptom heterogeneity and latent confounding frequently undermine classical estimators. Most existing methods for treatment effect estimation presuppose a fixed outcome variable and address confounding through observed covariate adjustment. However, the assumption of unconfoundedness may not hold for a fixed outcome in practice. To address this foundational limitation, we directly optimize the outcome definition to maximize causal identifiability. Our DEBIAS (Durable Effects with Backdoor-Invariant Aggregated Symptoms) algorithm learns non-negative, clinically interpretable weights for outcome aggregation, maximizing durable treatment effects and empirically minimizing both observed and latent confounding by leveraging the time-limited direct effects of prior treatments in psychiatric longitudinal data. The algorithm also furnishes an empirically verifiable test for outcome unconfoundedness. DEBIAS consistently outperforms state-of-the-art methods in recovering causal effects for clinically interpretable composite outcomes across comprehensive experiments in depression and schizophrenia.
comment: R code is available at github.com/ericstrobl/DEBIAS
☆ Initial Investigation of LLM-Assisted Development of Rule-Based Clinical NLP System
Despite advances in machine learning (ML) and large language models (LLMs), rule-based natural language processing (NLP) systems remain active in clinical settings due to their interpretability and operational efficiency. However, their manual development and maintenance are labor-intensive, particularly in tasks with large linguistic variability. To overcome these limitations, we proposed a novel approach employing LLMs solely during the rule-based systems development phase. We conducted the initial experiments focusing on the first two steps of developing a rule-based NLP pipeline: find relevant snippets from the clinical note; extract informative keywords from the snippets for the rule-based named entity recognition (NER) component. Our experiments demonstrated exceptional recall in identifying clinically relevant text snippets (Deepseek: 0.98, Qwen: 0.99) and 1.0 in extracting key terms for NER. This study sheds light on a promising new direction for NLP development, enabling semi-automated or automated development of rule-based systems with significantly faster, more cost-effective, and transparent execution compared with deep learning model-based solutions.
☆ FlatCAD: Fast Curvature Regularization of Neural SDFs for CAD Models
Neural signed-distance fields (SDFs) have become a versatile backbone for geometric learning, yet enforcing developable, CAD-style behavior still hinges on Gaussian curvature penalties that require full Hessian evaluation and second-order automatic differentiation, both of which are costly in memory and runtime. We present a curvature proxy that regularizes only the mixed second-order term (Weingarten term), allowing the two principal curvatures to adapt freely to data while suppressing unwanted warp. Two complementary instantiations realize this idea: (i) a finite-difference proxy that replaces each Hessian entry with four forward SDF evaluations and a single first-order gradient, and (ii) an autodiff proxy that computes the same mixed derivative via one Hessian-vector product, sidestepping explicit full Hessian assembly and remaining faster in practice. Both variants converge to the exact mixed second derivative, thus preserving the intended geometric bias without incurring full second-order graphs. On the ABC benchmarks, the proxies match or exceed the reconstruction fidelity of Hessian-based baselines while reducing GPU memory use and wall-clock time by a factor of two. Because the method is drop-in and framework-agnostic, it opens a practical path toward scalable, curvature-aware SDF learning for engineering-grade shape reconstruction.
comment: 12 page, 10 figures, preprint
☆ Distribution Parameter Actor-Critic: Shifting the Agent-Environment Boundary for Diverse Action Spaces
We introduce a novel reinforcement learning (RL) framework that treats distribution parameters as actions, redefining the boundary between agent and environment. This reparameterization makes the new action space continuous, regardless of the original action type (discrete, continuous, mixed, etc.). Under this new parameterization, we develop a generalized deterministic policy gradient estimator, Distribution Parameter Policy Gradient (DPPG), which has lower variance than the gradient in the original action space. Although learning the critic over distribution parameters poses new challenges, we introduce interpolated critic learning (ICL), a simple yet effective strategy to enhance learning, supported by insights from bandit settings. Building on TD3, a strong baseline for continuous control, we propose a practical DPPG-based actor-critic algorithm, Distribution Parameter Actor-Critic (DPAC). Empirically, DPAC outperforms TD3 in MuJoCo continuous control tasks from OpenAI Gym and DeepMind Control Suite, and demonstrates competitive performance on the same environments with discretized action spaces.
☆ SlepNet: Spectral Subgraph Representation Learning for Neural Dynamics
Graph neural networks have been useful in machine learning on graph-structured data, particularly for node classification and some types of graph classification tasks. However, they have had limited use in representing patterning of signals over graphs. Patterning of signals over graphs and in subgraphs carries important information in many domains including neuroscience. Neural signals are spatiotemporally patterned, high dimensional and difficult to decode. Graph signal processing and associated GCN models utilize the graph Fourier transform and are unable to efficiently represent spatially or spectrally localized signal patterning on graphs. Wavelet transforms have shown promise here, but offer non-canonical representations and cannot be tightly confined to subgraphs. Here we propose SlepNet, a novel GCN architecture that uses Slepian bases rather than graph Fourier harmonics. In SlepNet, the Slepian harmonics optimally concentrate signal energy on specifically relevant subgraphs that are automatically learned with a mask. Thus, they can produce canonical and highly resolved representations of neural activity, focusing energy of harmonics on areas of the brain which are activated. We evaluated SlepNet across three fMRI datasets, spanning cognitive and visual tasks, and two traffic dynamics datasets, comparing its performance against conventional GNNs and graph signal processing constructs. SlepNet outperforms the baselines in all datasets. Moreover, the extracted representations of signal patterns from SlepNet offers more resolution in distinguishing between similar patterns, and thus represent brain signaling transients as informative trajectories. Here we have shown that these extracted trajectory representations can be used for other downstream untrained tasks. Thus we establish that SlepNet is useful both for prediction and representation learning in spatiotemporal data.
☆ FLAME: Towards Federated Fine-Tuning Large Language Models Through Adaptive SMoE
Existing resource-adaptive LoRA federated fine-tuning methods enable clients to fine-tune models using compressed versions of global LoRA matrices, in order to accommodate various compute resources across clients. This compression requirement will lead to suboptimal performance due to information loss. To address this, we propose FLAME, a novel federated learning framework based on the Sparse Mixture-of-Experts (SMoE) architecture. Unlike prior approaches, FLAME retains full (uncompressed) global LoRA matrices and achieves client-side adaptability by varying the number of activated experts per client. However, incorporating SMoE into federated learning introduces unique challenges, specifically, the mismatch in output magnitude from partial expert activation and the imbalance in expert training quality across clients. FLAME tackles these challenges through a lightweight rescaling mechanism and an activation-aware aggregation scheme. Empirical results across diverse computational settings demonstrate that FLAME consistently outperforms existing methods, providing a robust and effective solution for resource-adaptive federated learning.
☆ Energy-Based Transfer for Reinforcement Learning
Reinforcement learning algorithms often suffer from poor sample efficiency, making them challenging to apply in multi-task or continual learning settings. Efficiency can be improved by transferring knowledge from a previously trained teacher policy to guide exploration in new but related tasks. However, if the new task sufficiently differs from the teacher's training task, the transferred guidance may be sub-optimal and bias exploration toward low-reward behaviors. We propose an energy-based transfer learning method that uses out-of-distribution detection to selectively issue guidance, enabling the teacher to intervene only in states within its training distribution. We theoretically show that energy scores reflect the teacher's state-visitation density and empirically demonstrate improved sample efficiency and performance across both single-task and multi-task settings.
☆ Measuring (a Sufficient) World Model in LLMs: A Variance Decomposition Framework
Understanding whether large language models (LLMs) possess a world model-a structured understanding of the world that supports generalization beyond surface-level patterns-is central to assessing their reliability, especially in high-stakes applications. We propose a formal framework for evaluating whether an LLM exhibits a sufficiently robust world model, defined as producing consistent outputs across semantically equivalent prompts while distinguishing between prompts that express different intents. We introduce a new evaluation approach to measure this that decomposes model response variability into three components: variability due to user purpose, user articulation, and model instability. An LLM with a strong world model should attribute most of the variability in its responses to changes in foundational purpose rather than superficial changes in articulation. This approach allows us to quantify how much of a model's behavior is semantically grounded rather than driven by model instability or alternative wording. We apply this framework to evaluate LLMs across diverse domains. Our results show how larger models attribute a greater share of output variability to changes in user purpose, indicating a more robust world model. This improvement is not uniform, however: larger models do not consistently outperform smaller ones across all domains, and their advantage in robustness is often modest. These findings highlight the importance of moving beyond accuracy-based benchmarks toward semantic diagnostics that more directly assess the structure and stability of a model's internal understanding of the world.
☆ From Semantic To Instance: A Semi-Self-Supervised Learning Approach
Instance segmentation is essential for applications such as automated monitoring of plant health, growth, and yield. However, extensive effort is required to create large-scale datasets with pixel-level annotations of each object instance for developing instance segmentation models that restrict the use of deep learning in these areas. This challenge is more significant in images with densely packed, self-occluded objects, which are common in agriculture. To address this challenge, we propose a semi-self-supervised learning approach that requires minimal manual annotation to develop a high-performing instance segmentation model. We design GLMask, an image-mask representation for the model to focus on shape, texture, and pattern while minimizing its dependence on color features. We develop a pipeline to generate semantic segmentation and then transform it into instance-level segmentation. The proposed approach substantially outperforms the conventional instance segmentation models, establishing a state-of-the-art wheat head instance segmentation model with mAP@50 of 98.5%. Additionally, we assessed the proposed methodology on the general-purpose Microsoft COCO dataset, achieving a significant performance improvement of over 12.6% mAP@50. This highlights that the utility of our proposed approach extends beyond precision agriculture and applies to other domains, specifically those with similar data characteristics.
☆ One Sample is Enough to Make Conformal Prediction Robust
Given any model, conformal prediction (CP) returns prediction sets guaranteed to include the true label with high adjustable probability. Robust CP (RCP) extends this to inputs with worst-case noise. A well-established approach is to use randomized smoothing for RCP since it is applicable to any black-box model and provides smaller sets compared to deterministic methods. However, current smoothing-based RCP requires many model forward passes per each input which is computationally expensive. We show that conformal prediction attains some robustness even with a forward pass on a single randomly perturbed input. Using any binary certificate we propose a single sample robust CP (RCP1). Our approach returns robust sets with smaller average set size compared to SOTA methods which use many (e.g. around 100) passes per input. Our key insight is to certify the conformal prediction procedure itself rather than individual scores. Our approach is agnostic to the setup (classification and regression). We further extend our approach to smoothing-based robust conformal risk control.
☆ A Free Probabilistic Framework for Analyzing the Transformer-based Language Models
We outline an operator-theoretic framework for analyzing transformer-based language models using the tools of free probability theory. By representing token embeddings and attention mechanisms as self-adjoint operators in a racial probability space, we reinterpret attention as a non-commutative convolution and view the layer-wise propagation of representations as an evolution governed by free additive convolution. This formalism reveals a spectral dynamical system underpinning deep transformer stacks and offers insight into their inductive biases, generalization behavior, and entropy dynamics. We derive a generalization bound based on free entropy and demonstrate that the spectral trace of transformer layers evolves predictably with depth. Our approach bridges neural architecture with non-commutative harmonic analysis, enabling principled analysis of information flow and structural complexity in large language models
☆ Mr. Snuffleupagus at SemEval-2025 Task 4: Unlearning Factual Knowledge from LLMs Using Adaptive RMU
Large Language Models (LLMs) have demonstrated remarkable capabilities in natural language understanding and generation. However, their tendency to memorize training data raises concerns regarding privacy, copyright compliance, and security, particularly in cases involving Personally Identifiable Information (PII). Effective machine unlearning techniques are essential to mitigate these risks, yet existing methods remain underdeveloped for LLMs due to their open-ended output space. In this work, we apply the Adaptive Representation Misdirection Unlearning (RMU) technique to unlearn sensitive information from LLMs. Through extensive experiments, we analyze the effects of unlearning across different decoder layers to determine the most effective regions for sensitive information removal. Our technique ranked 4th on the official leaderboard of both 1B parameter and 7B parameter models.
comment: 7 pages, 2 figures, to be published in SemEval-2025
☆ BIDA: A Bi-level Interaction Decision-making Algorithm for Autonomous Vehicles in Dynamic Traffic Scenarios
In complex real-world traffic environments, autonomous vehicles (AVs) need to interact with other traffic participants while making real-time and safety-critical decisions accordingly. The unpredictability of human behaviors poses significant challenges, particularly in dynamic scenarios, such as multi-lane highways and unsignalized T-intersections. To address this gap, we design a bi-level interaction decision-making algorithm (BIDA) that integrates interactive Monte Carlo tree search (MCTS) with deep reinforcement learning (DRL), aiming to enhance interaction rationality, efficiency and safety of AVs in dynamic key traffic scenarios. Specifically, we adopt three types of DRL algorithms to construct a reliable value network and policy network, which guide the online deduction process of interactive MCTS by assisting in value update and node selection. Then, a dynamic trajectory planner and a trajectory tracking controller are designed and implemented in CARLA to ensure smooth execution of planned maneuvers. Experimental evaluations demonstrate that our BIDA not only enhances interactive deduction and reduces computational costs, but also outperforms other latest benchmarks, which exhibits superior safety, efficiency and interaction rationality under varying traffic conditions.
comment: 6 pages, 3 figures, 4 tables, accepted for IEEE Intelligent Vehicles (IV) Symposium 2025
☆ Aligning ASR Evaluation with Human and LLM Judgments: Intelligibility Metrics Using Phonetic, Semantic, and NLI Approaches
Traditional ASR metrics like WER and CER fail to capture intelligibility, especially for dysarthric and dysphonic speech, where semantic alignment matters more than exact word matches. ASR systems struggle with these speech types, often producing errors like phoneme repetitions and imprecise consonants, yet the meaning remains clear to human listeners. We identify two key challenges: (1) Existing metrics do not adequately reflect intelligibility, and (2) while LLMs can refine ASR output, their effectiveness in correcting ASR transcripts of dysarthric speech remains underexplored. To address this, we propose a novel metric integrating Natural Language Inference (NLI) scores, semantic similarity, and phonetic similarity. Our ASR evaluation metric achieves a 0.890 correlation with human judgments on Speech Accessibility Project data, surpassing traditional methods and emphasizing the need to prioritize intelligibility over error-based measures.
comment: 5 pages, 2 figures, Interspeech 2025
☆ Improvement of Nuclide Detection through Graph Spectroscopic Analysis Framework and its Application to Nuclear Facility Upset Detection
We present a method to improve the detection limit for radionuclides using spectroscopic radiation detectors and the arrival time of each detected radiation quantum. We enable this method using a neural network with an attention mechanism. We illustrate the method on the detection of Cesium release from a nuclear facility during an upset, and our method shows $2\times$ improvement over the traditional spectroscopic method. We hypothesize that our method achieves this performance increase by modulating its detection probability by the overall rate of probable detections, specifically by adapting detection thresholds based on temporal event distributions and local spectral features, and show evidence to this effect. We believe this method is applicable broadly and may be more successful for radionuclides with more complicated decay chains than Cesium; we also note that our method can generalize beyond the addition of arrival time and could integrate other data about each detection event, such as pulse quality, location in detector, or even combining the energy and time from detections in different detectors.
☆ Robust Reward Modeling via Causal Rubrics
Reward models (RMs) are fundamental to aligning Large Language Models (LLMs) via human feedback, yet they often suffer from reward hacking. They tend to latch on to superficial or spurious attributes, such as response length or formatting, mistaking these cues learned from correlations in training data for the true causal drivers of quality (e.g., factuality, relevance). This occurs because standard training objectives struggle to disentangle these factors, leading to brittle RMs and misaligned policies. We introduce Crome (Causally Robust Reward Modeling), a novel framework grounded in an explicit causal model designed to mitigate reward hacking. Crome employs the following synthetic targeted augmentations during training: (1) Causal Augmentations, which are pairs that differ along specific causal attributes, to enforce sensitivity along each causal attribute individually, and (2) Neutral Augmentations, which are tie-label pairs varying primarily in spurious attributes, to enforce invariance along spurious attributes. Notably, our augmentations are produced without any knowledge of spurious factors, via answer interventions only along causal rubrics, that are identified by querying an oracle LLM. Empirically, Crome significantly outperforms standard baselines on RewardBench, improving average accuracy by up to 5.4% and achieving gains of up to 13.2% and 7.2% in specific categories. The robustness of Crome is further testified by the consistent gains obtained in a Best-of-N inference setting across increasing N, across various benchmarks, including the popular RewardBench (covering chat, chat-hard, safety, and reasoning tasks), the safety-focused WildGuardTest, and the reasoning-specific GSM8k.
☆ Subspace-Boosted Model Merging
Model merging enables the combination of multiple specialized expert models into a single model capable of performing multiple tasks. However, the benefits of merging an increasing amount of specialized experts generally lead to diminishing returns and reduced overall performance gains. In this work, we offer an explanation and analysis from a task arithmetic perspective; revealing that as the merging process (across numerous existing merging methods) continues for more and more experts, the associated task vector space experiences rank collapse. To mitigate this issue, we introduce Subspace Boosting, which operates on the singular value decomposed task vector space and maintains task vector ranks. Subspace Boosting raises merging efficacy for up to 20 expert models by large margins of more than 10% when evaluated on vision benchmarks. Moreover, we propose employing Higher-Order Generalized Singular Value Decomposition to further quantify task similarity, offering a new interpretable perspective on model merging.
comment: 21 pages (main + supp)
☆ SparseLoRA: Accelerating LLM Fine-Tuning with Contextual Sparsity ICML 2025
Fine-tuning LLMs is both computationally and memory-intensive. While parameter-efficient fine-tuning methods, such as QLoRA and DoRA, reduce the number of trainable parameters and lower memory usage, they do not decrease computational cost. In some cases, they may even slow down fine-tuning. In this paper, we introduce SparseLoRA, a method that accelerates LLM fine-tuning through contextual sparsity. We propose a lightweight, training-free SVD sparsity estimator that dynamically selects a sparse subset of weights for loss and gradient computation. Also, we systematically analyze and address sensitivity across layers, tokens, and training steps. Our experimental results show that SparseLoRA reduces computational cost by up to 2.2 times and a measured speedup of up to 1.6 times while maintaining accuracy across various downstream tasks, including commonsense and arithmetic reasoning, code generation, and instruction following.
comment: ICML 2025. The first three authors contributed equally to this work. Project page: https://z-lab.ai/projects/sparselora
☆ ML-Master: Towards AI-for-AI via Integration of Exploration and Reasoning
As AI capabilities advance toward and potentially beyond human-level performance, a natural transition emerges where AI-driven development becomes more efficient than human-centric approaches. A promising pathway toward this transition lies in AI-for-AI (AI4AI), which leverages AI techniques to automate and optimize the design, training, and deployment of AI systems themselves. While LLM-based agents have shown the potential to realize AI4AI, they are often unable to fully leverage the experience accumulated by agents during the exploration of solutions in the reasoning process, leading to inefficiencies and suboptimal performance. To address this limitation, we propose ML-Master, a novel AI4AI agent that seamlessly integrates exploration and reasoning by employing a selectively scoped memory mechanism. This approach allows ML-Master to efficiently combine diverse insights from parallel solution trajectories with analytical reasoning, guiding further exploration without overwhelming the agent with excessive context. We evaluate ML-Master on the MLE-Bench, where it achieves a 29.3% average medal rate, significantly surpassing existing methods, particularly in medium-complexity tasks, while accomplishing this superior performance within a strict 12-hour time constraint-half the 24-hour limit used by previous baselines. These results demonstrate ML-Master's potential as a powerful tool for advancing AI4AI.
☆ Manifold Learning for Personalized and Label-Free Detection of Cardiac Arrhythmias
Electrocardiograms (ECGs) provide direct, non-invasive measurements of heart activity and are well-established tools for detecting and monitoring cardiovascular disease. However, manual ECG analysis can be time-consuming and prone to errors. Machine learning has emerged as a promising approach for automated heartbeat recognition and classification, but substantial variations in ECG signals make it challenging to develop generalizable models. ECG signals can vary widely across individuals and leads, while datasets often follow different labeling standards and may be biased, all of which greatly hinder supervised methods. Conventional unsupervised methods, e.g. principal component analysis, prioritize large (and often obvious) variances in the data and typically overlook subtle yet clinically relevant patterns. If labels are missing and/or variations are significant but small, both approaches fail. Here, we show that nonlinear dimensionality reduction (NLDR) can accommodate these issues and identify medically relevant features in ECG signals, with no need for training or prior information. Using the MLII and V1 leads of the MIT-BIH dataset, we demonstrate that t-distributed stochastic neighbor embedding and uniform manifold approximation and projection can discriminate individual recordings in mixed populations with >= 90% accuracy and distinguish different arrhythmias in individual patients with a median accuracy of 98.96% and a median F1-score of 91.02%. The results show that NLDR holds much promise for cardiac monitoring, including the limiting cases of single-lead ECG and the current 12-lead standard of care, and for personalized health care beyond cardiology.
☆ Towards Generalizable Generic Harmful Speech Datasets for Implicit Hate Speech Detection
Implicit hate speech has recently emerged as a critical challenge for social media platforms. While much of the research has traditionally focused on harmful speech in general, the need for generalizable techniques to detect veiled and subtle forms of hate has become increasingly pressing. Based on lexicon analysis, we hypothesize that implicit hate speech is already present in publicly available harmful speech datasets but may not have been explicitly recognized or labeled by annotators. Additionally, crowdsourced datasets are prone to mislabeling due to the complexity of the task and often influenced by annotators' subjective interpretations. In this paper, we propose an approach to address the detection of implicit hate speech and enhance generalizability across diverse datasets by leveraging existing harmful speech datasets. Our method comprises three key components: influential sample identification, reannotation, and augmentation using Llama-3 70B and GPT-4o. Experimental results demonstrate the effectiveness of our approach in improving implicit hate detection, achieving a +12.9-point F1 score improvement compared to the baseline.
☆ Human2LocoMan: Learning Versatile Quadrupedal Manipulation with Human Pretraining
Quadrupedal robots have demonstrated impressive locomotion capabilities in complex environments, but equipping them with autonomous versatile manipulation skills in a scalable way remains a significant challenge. In this work, we introduce a cross-embodiment imitation learning system for quadrupedal manipulation, leveraging data collected from both humans and LocoMan, a quadruped equipped with multiple manipulation modes. Specifically, we develop a teleoperation and data collection pipeline, which unifies and modularizes the observation and action spaces of the human and the robot. To effectively leverage the collected data, we propose an efficient modularized architecture that supports co-training and pretraining on structured modality-aligned data across different embodiments. Additionally, we construct the first manipulation dataset for the LocoMan robot, covering various household tasks in both unimanual and bimanual modes, supplemented by a corresponding human dataset. We validate our system on six real-world manipulation tasks, where it achieves an average success rate improvement of 41.9% overall and 79.7% under out-of-distribution (OOD) settings compared to the baseline. Pretraining with human data contributes a 38.6% success rate improvement overall and 82.7% under OOD settings, enabling consistently better performance with only half the amount of robot data. Our code, hardware, and data are open-sourced at: https://human2bots.github.io.
☆ Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities
Sampling efficiently from a target unnormalized probability density remains a core challenge, with relevance across countless high-impact scientific applications. A promising approach towards this challenge is the design of amortized samplers that borrow key ideas, such as probability path design, from state-of-the-art generative diffusion models. However, all existing diffusion-based samplers remain unable to draw samples from distributions at the scale of even simple molecular systems. In this paper, we propose Progressive Inference-Time Annealing (PITA), a novel framework to learn diffusion-based samplers that combines two complementary interpolation techniques: I.) Annealing of the Boltzmann distribution and II.) Diffusion smoothing. PITA trains a sequence of diffusion models from high to low temperatures by sequentially training each model at progressively higher temperatures, leveraging engineered easy access to samples of the temperature-annealed target density. In the subsequent step, PITA enables simulating the trained diffusion model to procure training samples at a lower temperature for the next diffusion model through inference-time annealing using a novel Feynman-Kac PDE combined with Sequential Monte Carlo. Empirically, PITA enables, for the first time, equilibrium sampling of N-body particle systems, Alanine Dipeptide, and tripeptides in Cartesian coordinates with dramatically lower energy function evaluations. Code available at: https://github.com/taraak/pita
☆ Black-Box Privacy Attacks on Shared Representations in Multitask Learning
Multitask learning (MTL) has emerged as a powerful paradigm that leverages similarities among multiple learning tasks, each with insufficient samples to train a standalone model, to solve them simultaneously while minimizing data sharing across users and organizations. MTL typically accomplishes this goal by learning a shared representation that captures common structure among the tasks by embedding data from all tasks into a common feature space. Despite being designed to be the smallest unit of shared information necessary to effectively learn patterns across multiple tasks, these shared representations can inadvertently leak sensitive information about the particular tasks they were trained on. In this work, we investigate what information is revealed by the shared representations through the lens of inference attacks. Towards this, we propose a novel, black-box task-inference threat model where the adversary, given the embedding vectors produced by querying the shared representation on samples from a particular task, aims to determine whether that task was present when training the shared representation. We develop efficient, purely black-box attacks on machine learning models that exploit the dependencies between embeddings from the same task without requiring shadow models or labeled reference data. We evaluate our attacks across vision and language domains for multiple use cases of MTL and demonstrate that even with access only to fresh task samples rather than training data, a black-box adversary can successfully infer a task's inclusion in training. To complement our experiments, we provide theoretical analysis of a simplified learning setting and show a strict separation between adversaries with training samples and fresh samples from the target task's distribution.
comment: 30 pages, 8 figures
☆ Joint Tensor-Train Parameterization for Efficient and Expressive Low-Rank Adaptation
Low-Rank Adaptation (LoRA) is widely recognized for its parameter-efficient fine-tuning of large-scale neural models. However, standard LoRA independently optimizes low-rank matrices, which inherently limits its expressivity and generalization capabilities. While classical tensor-train (TT) decomposition can be separately employed on individual LoRA matrices, this work demonstrates that the classical TT-based approach neither significantly improves parameter efficiency nor achieves substantial performance gains. This paper proposes TensorGuide, a novel tensor-train-guided adaptation framework to overcome these limitations. TensorGuide generates two correlated low-rank LoRA matrices through a unified TT structure driven by controlled Gaussian noise. The resulting joint TT representation inherently provides structured, low-rank adaptations, significantly enhancing expressivity, generalization, and parameter efficiency without increasing the number of trainable parameters. Theoretically, we justify these improvements through neural tangent kernel analyses, demonstrating superior optimization dynamics and enhanced generalization. Extensive experiments on quantum dot classification and GPT-2 fine-tuning benchmarks demonstrate that TensorGuide-based LoRA consistently outperforms standard LoRA and TT-LoRA, achieving improved accuracy and scalability with fewer parameters.
comment: Preprint. Under Review
☆ Consumer-friendly EEG-based Emotion Recognition System: A Multi-scale Convolutional Neural Network Approach
EEG is a non-invasive, safe, and low-risk method to record electrophysiological signals inside the brain. Especially with recent technology developments like dry electrodes, consumer-grade EEG devices, and rapid advances in machine learning, EEG is commonly used as a resource for automatic emotion recognition. With the aim to develop a deep learning model that can perform EEG-based emotion recognition in a real-life context, we propose a novel approach to utilize multi-scale convolutional neural networks to accomplish such tasks. By implementing feature extraction kernels with many ratio coefficients as well as a new type of kernel that learns key information from four separate areas of the brain, our model consistently outperforms the state-of-the-art TSception model in predicting valence, arousal, and dominance scores across many performance evaluation metrics.
comment: 29 pages, 10 figures
☆ Leveraging Influence Functions for Resampling Data in Physics-Informed Neural Networks
Physics-informed neural networks (PINNs) offer a powerful approach to solving partial differential equations (PDEs), which are ubiquitous in the quantitative sciences. Applied to both forward and inverse problems across various scientific domains, PINNs have recently emerged as a valuable tool in the field of scientific machine learning. A key aspect of their training is that the data -- spatio-temporal points sampled from the PDE's input domain -- are readily available. Influence functions, a tool from the field of explainable AI (XAI), approximate the effect of individual training points on the model, enhancing interpretability. In the present work, we explore the application of influence function-based sampling approaches for the training data. Our results indicate that such targeted resampling based on data attribution methods has the potential to enhance prediction accuracy in physics-informed neural networks, demonstrating a practical application of an XAI method in PINN training.
comment: This article was presented at "The 3rd World Conference on eXplainable Artificial Intelligence" (2025)
☆ An efficient neuromorphic approach for collision avoidance combining Stack-CNN with event cameras
Space debris poses a significant threat, driving research into active and passive mitigation strategies. This work presents an innovative collision avoidance system utilizing event-based cameras - a novel imaging technology well-suited for Space Situational Awareness (SSA) and Space Traffic Management (STM). The system, employing a Stack-CNN algorithm (previously used for meteor detection), analyzes real-time event-based camera data to detect faint moving objects. Testing on terrestrial data demonstrates the algorithm's ability to enhance signal-to-noise ratio, offering a promising approach for on-board space imaging and improving STM/SSA operations.
comment: 18th International Conference on Space Operations - Safety and sustainability of Space Operations (SSU)
Agentic Personalisation of Cross-Channel Marketing Experiences
Consumer applications provide ample opportunities to surface and communicate various forms of content to users. From promotional campaigns for new features or subscriptions, to evergreen nudges for engagement, or personalised recommendations; across e-mails, push notifications, and in-app surfaces. The conventional approach to orchestration for communication relies heavily on labour-intensive manual marketer work, and inhibits effective personalisation of content, timing, frequency, and copy-writing. We formulate this task under a sequential decision-making framework, where we aim to optimise a modular decision-making policy that maximises incremental engagement for any funnel event. Our approach leverages a Difference-in-Differences design for Individual Treatment Effect estimation, and Thompson sampling to balance the explore-exploit trade-off. We present results from a multi-service application, where our methodology has resulted in significant increases to a variety of goal events across several product features, and is currently deployed across 150 million users.
☆ EFormer: An Effective Edge-based Transformer for Vehicle Routing Problems
Recent neural heuristics for the Vehicle Routing Problem (VRP) primarily rely on node coordinates as input, which may be less effective in practical scenarios where real cost metrics-such as edge-based distances-are more relevant. To address this limitation, we introduce EFormer, an Edge-based Transformer model that uses edge as the sole input for VRPs. Our approach employs a precoder module with a mixed-score attention mechanism to convert edge information into temporary node embeddings. We also present a parallel encoding strategy characterized by a graph encoder and a node encoder, each responsible for processing graph and node embeddings in distinct feature spaces, respectively. This design yields a more comprehensive representation of the global relationships among edges. In the decoding phase, parallel context embedding and multi-query integration are used to compute separate attention mechanisms over the two encoded embeddings, facilitating efficient path construction. We train EFormer using reinforcement learning in an autoregressive manner. Extensive experiments on the Traveling Salesman Problem (TSP) and Capacitated Vehicle Routing Problem (CVRP) reveal that EFormer outperforms established baselines on synthetic datasets, including large-scale and diverse distributions. Moreover, EFormer demonstrates strong generalization on real-world instances from TSPLib and CVRPLib. These findings confirm the effectiveness of EFormer's core design in solving VRPs.
☆ Optimizing MoE Routers: Design, Implementation, and Evaluation in Transformer Models
Mixture of Experts (MoE) architectures increase large language model scalability, yet their performance depends on the router module that moves tokens to specialized experts. Bad routing can load imbalance and reduced accuracy. This project designed and implemented different router architectures within Transformer models to fix these limitations. We experimented with six distinct router variants Linear, Attention, Multi-Layer Perceptron (MLP), Hybrid, Hash, and our new MLP-Hadamard. We characterized these routers using BERT and the Qwen1.5-MoE model, looking at parameter efficiency, inference latency, routing entropy, and expert utilization patterns. Our evaluations showed distinct trade-offs: Linear routers offer speed, while MLP and Attention routers provide greater expressiveness. The MLP-Hadamard router shows a unique capability for structured, sparse routing. We successfully replaced and fine-tuned custom routers within the complex, quantized Qwen1.5-MoE model. This work provides a comparative analysis of MoE router designs and offers insights into optimizing their performance for efficient and effective large-scale model deployment.
comment: All authors contributed equally. 11 pages, 6 figures
☆ On Continuous Monitoring of Risk Violations under Unknown Shift
Machine learning systems deployed in the real world must operate under dynamic and often unpredictable distribution shifts. This challenges the validity of statistical safety assurances on the system's risk established beforehand. Common risk control frameworks rely on fixed assumptions and lack mechanisms to continuously monitor deployment reliability. In this work, we propose a general framework for the real-time monitoring of risk violations in evolving data streams. Leveraging the 'testing by betting' paradigm, we propose a sequential hypothesis testing procedure to detect violations of bounded risks associated with the model's decision-making mechanism, while ensuring control on the false alarm rate. Our method operates under minimal assumptions on the nature of encountered shifts, rendering it broadly applicable. We illustrate the effectiveness of our approach by monitoring risks in outlier detection and set prediction under a variety of shifts.
comment: AT and RV are joint first authors. Accepted at the Conference on Uncertainty in Artificial Intelligence (UAI 2025)
When Does Divide and Conquer Work for Long Context LLM? A Noise Decomposition Framework
We investigate the challenge of applying Large Language Models (LLMs) to long texts. We propose a theoretical framework that distinguishes the failure modes of long context tasks into three categories: cross-chunk dependence (task noise), confusion that grows with context size (model noise), and the imperfect integration of partial results (aggregator noise). Under this view, we analyze when it is effective to use multi-agent chunking, i.e., dividing a length sequence into smaller chunks and aggregating the processed results of each chunk. Our experiments on tasks such as retrieval, question answering, and summarization confirm both the theoretical analysis and the conditions that favor multi-agent chunking. By exploring superlinear model noise growth with input length, we also explain why, for large inputs, a weaker model configured with chunk-based processing can surpass a more advanced model like GPT4o applied in a single shot. Overall, we present a principled understanding framework and our results highlight a direct pathway to handling long contexts in LLMs with carefully managed chunking and aggregator strategies.
comment: under review
☆ Drag-and-Drop LLMs: Zero-Shot Prompt-to-Weights
Modern Parameter-Efficient Fine-Tuning (PEFT) methods such as low-rank adaptation (LoRA) reduce the cost of customizing large language models (LLMs), yet still require a separate optimization run for every downstream dataset. We introduce \textbf{Drag-and-Drop LLMs (\textit{DnD})}, a prompt-conditioned parameter generator that eliminates per-task training by mapping a handful of unlabeled task prompts directly to LoRA weight updates. A lightweight text encoder distills each prompt batch into condition embeddings, which are then transformed by a cascaded hyper-convolutional decoder into the full set of LoRA matrices. Once trained in a diverse collection of prompt-checkpoint pairs, DnD produces task-specific parameters in seconds, yielding i) up to \textbf{12,000$\times$} lower overhead than full fine-tuning, ii) average gains up to \textbf{30\%} in performance over the strongest training LoRAs on unseen common-sense reasoning, math, coding, and multimodal benchmarks, and iii) robust cross-domain generalization despite never seeing the target data or labels. Our results demonstrate that prompt-conditioned parameter generation is a viable alternative to gradient-based adaptation for rapidly specializing LLMs. Our project is available at \href{https://jerryliang24.github.io/DnD}{https://jerryliang24.github.io/DnD}.
comment: We propose a method that can generate LoRA parameters in seconds
☆ Generating Directed Graphs with Dual Attention and Asymmetric Encoding
Directed graphs naturally model systems with asymmetric, ordered relationships, essential to applications in biology, transportation, social networks, and visual understanding. Generating such graphs enables tasks such as simulation, data augmentation and novel instance discovery; however, directed graph generation remains underexplored. We identify two key factors limiting progress in this direction: first, modeling edge directionality introduces a substantially larger dependency space, making the underlying distribution harder to learn; second, the absence of standardized benchmarks hinders rigorous evaluation. Addressing the former requires more expressive models that are sensitive to directional topologies. We propose Directo, the first generative model for directed graphs built upon the discrete flow matching framework. Our approach combines: (i) principled positional encodings tailored to asymmetric pairwise relations, (ii) a dual-attention mechanism capturing both incoming and outgoing dependencies, and (iii) a robust, discrete generative framework. To support evaluation, we introduce a benchmark suite covering synthetic and real-world datasets. It shows that our method performs strongly across diverse settings and even competes with specialized models for particular classes, such as directed acyclic graphs. Our results highlight the effectiveness and generality of our approach, establishing a solid foundation for future research in directed graph generation.
☆ IS-Bench: Evaluating Interactive Safety of VLM-Driven Embodied Agents in Daily Household Tasks
Flawed planning from VLM-driven embodied agents poses significant safety hazards, hindering their deployment in real-world household tasks. However, existing static, non-interactive evaluation paradigms fail to adequately assess risks within these interactive environments, since they cannot simulate dynamic risks that emerge from an agent's actions and rely on unreliable post-hoc evaluations that ignore unsafe intermediate steps. To bridge this critical gap, we propose evaluating an agent's interactive safety: its ability to perceive emergent risks and execute mitigation steps in the correct procedural order. We thus present IS-Bench, the first multi-modal benchmark designed for interactive safety, featuring 161 challenging scenarios with 388 unique safety risks instantiated in a high-fidelity simulator. Crucially, it facilitates a novel process-oriented evaluation that verifies whether risk mitigation actions are performed before/after specific risk-prone steps. Extensive experiments on leading VLMs, including the GPT-4o and Gemini-2.5 series, reveal that current agents lack interactive safety awareness, and that while safety-aware Chain-of-Thought can improve performance, it often compromises task completion. By highlighting these critical limitations, IS-Bench provides a foundation for developing safer and more reliable embodied AI systems.
☆ GoalLadder: Incremental Goal Discovery with Vision-Language Models
Natural language can offer a concise and human-interpretable means of specifying reinforcement learning (RL) tasks. The ability to extract rewards from a language instruction can enable the development of robotic systems that can learn from human guidance; however, it remains a challenging problem, especially in visual environments. Existing approaches that employ large, pretrained language models either rely on non-visual environment representations, require prohibitively large amounts of feedback, or generate noisy, ill-shaped reward functions. In this paper, we propose a novel method, $\textbf{GoalLadder}$, that leverages vision-language models (VLMs) to train RL agents from a single language instruction in visual environments. GoalLadder works by incrementally discovering states that bring the agent closer to completing a task specified in natural language. To do so, it queries a VLM to identify states that represent an improvement in agent's task progress and to rank them using pairwise comparisons. Unlike prior work, GoalLadder does not trust VLM's feedback completely; instead, it uses it to rank potential goal states using an ELO-based rating system, thus reducing the detrimental effects of noisy VLM feedback. Over the course of training, the agent is tasked with minimising the distance to the top-ranked goal in a learned embedding space, which is trained on unlabelled visual data. This key feature allows us to bypass the need for abundant and accurate feedback typically required to train a well-shaped reward function. We demonstrate that GoalLadder outperforms existing related methods on classic control and robotic manipulation environments with the average final success rate of $\sim$95% compared to only $\sim$45% of the best competitor.
☆ Identifying Heterogeneity in Distributed Learning
We study methods for identifying heterogeneous parameter components in distributed M-estimation with minimal data transmission. One is based on a re-normalized Wald test, which is shown to be consistent as long as the number of distributed data blocks $K$ is of a smaller order of the minimum block sample size {and the level of heterogeneity is dense}. The second one is an extreme contrast test (ECT) based on the difference between the largest and smallest component-wise estimated parameters among data blocks. By introducing a sample splitting procedure, the ECT can avoid the bias accumulation arising from the M-estimation procedures, and exhibits consistency for $K$ being much larger than the sample size while the heterogeneity is sparse. The ECT procedure is easy to operate and communication-efficient. A combination of the Wald and the extreme contrast tests is formulated to attain more robust power under varying levels of sparsity of the heterogeneity. We also conduct intensive numerical experiments to compare the family-wise error rate (FWER) and the power of the proposed methods. Additionally, we conduct a case study to present the implementation and validity of the proposed methods.
☆ State-Space Kolmogorov Arnold Networks for Interpretable Nonlinear System Identification
While accurate, black-box system identification models lack interpretability of the underlying system dynamics. This paper proposes State-Space Kolmogorov-Arnold Networks (SS-KAN) to address this challenge by integrating Kolmogorov-Arnold Networks within a state-space framework. The proposed model is validated on two benchmark systems: the Silverbox and the Wiener-Hammerstein benchmarks. Results show that SS-KAN provides enhanced interpretability due to sparsity-promoting regularization and the direct visualization of its learned univariate functions, which reveal system nonlinearities at the cost of accuracy when compared to state-of-the-art black-box models, highlighting SS-KAN as a promising approach for interpretable nonlinear system identification, balancing accuracy and interpretability of nonlinear system dynamics.
comment: Accepted for IEEE Control Systems Letters
☆ CLIP-MG: Guiding Semantic Attention with Skeletal Pose Features and RGB Data for Micro-Gesture Recognition on the iMiGUE Dataset
Micro-gesture recognition is a challenging task in affective computing due to the subtle, involuntary nature of the gestures and their low movement amplitude. In this paper, we introduce a Pose-Guided Semantics-Aware CLIP-based architecture, or CLIP for Micro-Gesture recognition (CLIP-MG), a modified CLIP model tailored for micro-gesture classification on the iMiGUE dataset. CLIP-MG integrates human pose (skeleton) information into the CLIP-based recognition pipeline through pose-guided semantic query generation and a gated multi-modal fusion mechanism. The proposed model achieves a Top-1 accuracy of 61.82%. These results demonstrate both the potential of our approach and the remaining difficulty in fully adapting vision-language models like CLIP for micro-gesture recognition.
☆ Classification of Cattle Behavior and Detection of Heat (Estrus) using Sensor Data
This paper presents a novel system for monitoring cattle behavior and detecting estrus (heat) periods using sensor data and machine learning. We designed and deployed a low-cost Bluetooth-based neck collar equipped with accelerometer and gyroscope sensors to capture real-time behavioral data from real cows, which was synced to the cloud. A labeled dataset was created using synchronized CCTV footage to annotate behaviors such as feeding, rumination, lying, and others. We evaluated multiple machine learning models -- Support Vector Machines (SVM), Random Forests (RF), and Convolutional Neural Networks (CNN) -- for behavior classification. Additionally, we implemented a Long Short-Term Memory (LSTM) model for estrus detection using behavioral patterns and anomaly detection. Our system achieved over 93% behavior classification accuracy and 96% estrus detection accuracy on a limited test set. The approach offers a scalable and accessible solution for precision livestock monitoring, especially in resource-constrained environments.
comment: 6 pages, 5 figures. Druva Dhakshinamoorthy and Avikshit Jha contributed equally as co-first authors. Work conducted during a summer internship at CDAC Kolkata by students of BITS Pilani
☆ Data-Driven Policy Mapping for Safe RL-based Energy Management Systems
Increasing global energy demand and renewable integration complexity have placed buildings at the center of sustainable energy management. We present a three-step reinforcement learning(RL)-based Building Energy Management System (BEMS) that combines clustering, forecasting, and constrained policy learning to address scalability, adaptability, and safety challenges. First, we cluster non-shiftable load profiles to identify common consumption patterns, enabling policy generalization and transfer without retraining for each new building. Next, we integrate an LSTM based forecasting module to anticipate future states, improving the RL agents' responsiveness to dynamic conditions. Lastly, domain-informed action masking ensures safe exploration and operation, preventing harmful decisions. Evaluated on real-world data, our approach reduces operating costs by up to 15% for certain building types, maintains stable environmental performance, and quickly classifies and optimizes new buildings with limited data. It also adapts to stochastic tariff changes without retraining. Overall, this framework delivers scalable, robust, and cost-effective building energy management.
☆ Watermarking Autoregressive Image Generation
Watermarking the outputs of generative models has emerged as a promising approach for tracking their provenance. Despite significant interest in autoregressive image generation models and their potential for misuse, no prior work has attempted to watermark their outputs at the token level. In this work, we present the first such approach by adapting language model watermarking techniques to this setting. We identify a key challenge: the lack of reverse cycle-consistency (RCC), wherein re-tokenizing generated image tokens significantly alters the token sequence, effectively erasing the watermark. To address this and to make our method robust to common image transformations, neural compression, and removal attacks, we introduce (i) a custom tokenizer-detokenizer finetuning procedure that improves RCC, and (ii) a complementary watermark synchronization layer. As our experiments demonstrate, our approach enables reliable and robust watermark detection with theoretically grounded p-values.
comment: Code: https://github.com/facebookresearch/wmar
☆ Feedback-driven recurrent quantum neural network universality
Quantum reservoir computing uses the dynamics of quantum systems to process temporal data, making it particularly well-suited for learning with noisy intermediate-scale quantum devices. Early experimental proposals, such as the restarting and rewinding protocols, relied on repeating previous steps of the quantum map to avoid backaction. However, this approach compromises real-time processing and increases computational overhead. Recent developments have introduced alternative protocols that address these limitations. These include online, mid-circuit measurement, and feedback techniques, which enable real-time computation while preserving the input history. Among these, the feedback protocol stands out for its ability to process temporal information with comparatively fewer components. Despite this potential advantage, the theoretical foundations of feedback-based quantum reservoir computing remain underdeveloped, particularly with regard to the universality and the approximation capabilities of this approach. This paper addresses this issue by presenting a recurrent quantum neural network architecture that extends a class of existing feedforward models to a dynamic, feedback-driven reservoir setting. We provide theoretical guarantees for variational recurrent quantum neural networks, including approximation bounds and universality results. Notably, our analysis demonstrates that the model is universal with linear readouts, making it both powerful and experimentally accessible. These results pave the way for practical and theoretically grounded quantum reservoir computing with real-time processing capabilities.
comment: 31 pages
☆ Bayesian Optimization over Bounded Domains with the Beta Product Kernel
Bayesian optimization with Gaussian processes (GP) is commonly used to optimize black-box functions. The Mat\'ern and the Radial Basis Function (RBF) covariance functions are used frequently, but they do not make any assumptions about the domain of the function, which may limit their applicability in bounded domains. To address the limitation, we introduce the Beta kernel, a non-stationary kernel induced by a product of Beta distribution density functions. Such a formulation allows our kernel to naturally model functions on bounded domains. We present statistical evidence supporting the hypothesis that the kernel exhibits an exponential eigendecay rate, based on empirical analyses of its spectral properties across different settings. Our experimental results demonstrate the robustness of the Beta kernel in modeling functions with optima located near the faces or vertices of the unit hypercube. The experiments show that our kernel consistently outperforms a wide range of kernels, including the well-known Mat\'ern and RBF, in different problems, including synthetic function optimization and the compression of vision and language models.
comment: Accepted as a conference paper at UAI 2025
☆ Signatures to help interpretability of anomalies
Machine learning is often viewed as a black box when it comes to understanding its output, be it a decision or a score. Automatic anomaly detection is no exception to this rule, and quite often the astronomer is left to independently analyze the data in order to understand why a given event is tagged as an anomaly. We introduce here idea of anomaly signature, whose aim is to help the interpretability of anomalies by highlighting which features contributed to the decision.
comment: 7 pages, 3 figure, proceedings of the International Conference on Machine Learning for Astrophysics (ML4ASTRO2)
☆ Improved Exploration in GFlownets via Enhanced Epistemic Neural Networks ICML 2025
Efficiently identifying the right trajectories for training remains an open problem in GFlowNets. To address this, it is essential to prioritize exploration in regions of the state space where the reward distribution has not been sufficiently learned. This calls for uncertainty-driven exploration, in other words, the agent should be aware of what it does not know. This attribute can be measured by joint predictions, which are particularly important for combinatorial and sequential decision problems. In this research, we integrate epistemic neural networks (ENN) with the conventional architecture of GFlowNets to enable more efficient joint predictions and better uncertainty quantification, thereby improving exploration and the identification of optimal trajectories. Our proposed algorithm, ENN-GFN-Enhanced, is compared to the baseline method in GFlownets and evaluated in grid environments and structured sequence generation in various settings, demonstrating both its efficacy and efficiency.
comment: Accepted to the EXAIT Workshop at ICML 2025
☆ Optimizing Multilingual Text-To-Speech with Accents & Emotions
State-of-the-art text-to-speech (TTS) systems realize high naturalness in monolingual environments, synthesizing speech with correct multilingual accents (especially for Indic languages) and context-relevant emotions still poses difficulty owing to cultural nuance discrepancies in current frameworks. This paper introduces a new TTS architecture integrating accent along with preserving transliteration with multi-scale emotion modelling, in particularly tuned for Hindi and Indian English accent. Our approach extends the Parler-TTS model by integrating A language-specific phoneme alignment hybrid encoder-decoder architecture, and culture-sensitive emotion embedding layers trained on native speaker corpora, as well as incorporating a dynamic accent code switching with residual vector quantization. Quantitative tests demonstrate 23.7% improvement in accent accuracy (Word Error Rate reduction from 15.4% to 11.8%) and 85.3% emotion recognition accuracy from native listeners, surpassing METTS and VECL-TTS baselines. The novelty of the system is that it can mix code in real time - generating statements such as "Namaste, let's talk about " with uninterrupted accent shifts while preserving emotional consistency. Subjective evaluation with 200 users reported a mean opinion score (MOS) of 4.2/5 for cultural correctness, much better than existing multilingual systems (p<0.01). This research makes cross-lingual synthesis more feasible by showcasing scalable accent-emotion disentanglement, with direct application in South Asian EdTech and accessibility software.
comment: 12 pages, 8 figures
☆ SycnMapV2: Robust and Adaptive Unsupervised Segmentation
Human vision excels at segmenting visual cues without the need for explicit training, and it remains remarkably robust even as noise severity increases. In contrast, existing AI algorithms struggle to maintain accuracy under similar conditions. Here, we present SyncMapV2, the first to solve unsupervised segmentation with state-of-the-art robustness. SyncMapV2 exhibits a minimal drop in mIoU, only 0.01%, under digital corruption, compared to a 23.8% drop observed in SOTA methods.This superior performance extends across various types of corruption: noise (7.3% vs. 37.7%), weather (7.5% vs. 33.8%), and blur (7.0% vs. 29.5%). Notably, SyncMapV2 accomplishes this without any robust training, supervision, or loss functions. It is based on a learning paradigm that uses self-organizing dynamical equations combined with concepts from random networks. Moreover,unlike conventional methods that require re-initialization for each new input, SyncMapV2 adapts online, mimicking the continuous adaptability of human vision. Thus, we go beyond the accurate and robust results, and present the first algorithm that can do all the above online, adapting to input rather than re-initializing. In adaptability tests, SyncMapV2 demonstrates near-zero performance degradation, which motivates and fosters a new generation of robust and adaptive intelligence in the near future.
☆ The Condition Number as a Scale-Invariant Proxy for Information Encoding in Neural Units
This paper explores the relationship between the condition number of a neural network's weight tensor and the extent of information encoded by the associated processing unit, viewed through the lens of information theory. We argue that a high condition number, though not sufficient for effective knowledge encoding, may indicate that the unit has learned to selectively amplify and compress information. We formalize this intuition, particularly for linear units with Gaussian inputs, linking the condition number and the transformation's log-volume scaling factor to the characteristics of the output entropy and the geometric properties of the learned transformation. Our analysis demonstrates that for a fixed weight norm, a concentrated distribution of singular values (high condition number) corresponds to reduced overall information transfer, indicating a specialized and efficient encoding strategy. Furthermore, we present a practical case study where these principles are applied to guide selective fine-tuning of a multimodal Large Language Model, aiming to mitigate catastrophic forgetting during cross-modal adaptation. Unlike many existing catastrophic forgetting mitigation methods that rely on access to pre-training statistics, which are often unavailable, our selective fine-tuning approach offers a way to bypass this common requirement.
☆ Next-Token Prediction Should be Ambiguity-Sensitive: A Meta-Learning Perspective
The rapid adaptation ability of auto-regressive foundation models is often attributed to the diversity of their pre-training data. This is because, from a Bayesian standpoint, minimizing prediction error in such settings requires integrating over all plausible latent hypotheses consistent with observations. While this behavior is desirable in principle, it often proves too ambitious in practice: under high ambiguity, the number of plausible latent alternatives makes Bayes-optimal prediction computationally intractable. Cognitive science has long recognized this limitation, suggesting that under such conditions, heuristics or information-seeking strategies are preferable to exhaustive inference. Translating this insight to next-token prediction, we hypothesize that low- and high-ambiguity predictions pose different computational demands, making ambiguity-agnostic next-token prediction a detrimental inductive bias. To test this, we introduce MetaHMM, a synthetic sequence meta-learning benchmark with rich compositional structure and a tractable Bayesian oracle. We show that Transformers indeed struggle with high-ambiguity predictions across model sizes. Motivated by cognitive theories, we propose a method to convert pre-trained models into Monte Carlo predictors that decouple task inference from token prediction. Preliminary results show substantial gains in ambiguous contexts through improved capacity allocation and test-time scalable inference, though challenges remain.
☆ Random feature approximation for general spectral methods
Random feature approximation is arguably one of the most widely used techniques for kernel methods in large-scale learning algorithms. In this work, we analyze the generalization properties of random feature methods, extending previous results for Tikhonov regularization to a broad class of spectral regularization techniques. This includes not only explicit methods but also implicit schemes such as gradient descent and accelerated algorithms like the Heavy-Ball and Nesterov method. Through this framework, we enable a theoretical analysis of neural networks and neural operators through the lens of the Neural Tangent Kernel (NTK) approach trained via gradient descent. For our estimators we obtain optimal learning rates over regularity classes (even for classes that are not included in the reproducing kernel Hilbert space), which are defined through appropriate source conditions. This improves or completes previous results obtained in related settings for specific kernel algorithms.
comment: arXiv admin note: substantial text overlap with arXiv:2308.15434, arXiv:2412.17518
☆ Optimal Online Bookmaking for Any Number of Outcomes
We study the Online Bookmaking problem, where a bookmaker dynamically updates betting odds on the possible outcomes of an event. In each betting round, the bookmaker can adjust the odds based on the cumulative betting behavior of gamblers, aiming to maximize profit while mitigating potential loss. We show that for any event and any number of betting rounds, in a worst-case setting over all possible gamblers and outcome realizations, the bookmaker's optimal loss is the largest root of a simple polynomial. Our solution shows that bookmakers can be as fair as desired while avoiding financial risk, and the explicit characterization reveals an intriguing relation between the bookmaker's regret and Hermite polynomials. We develop an efficient algorithm that computes the optimal bookmaking strategy: when facing an optimal gambler, the algorithm achieves the optimal loss, and in rounds where the gambler is suboptimal, it reduces the achieved loss to the optimal opportunistic loss, a notion that is related to subgame perfect Nash equilibrium. The key technical contribution to achieve these results is an explicit characterization of the Bellman-Pareto frontier, which unifies the dynamic programming updates for Bellman's value function with the multi-criteria optimization framework of the Pareto frontier in the context of vector repeated games.
comment: Accepted for presentation at the Conference on Learning Theory (COLT) 2025
☆ Synthetic ALS-EEG Data Augmentation for ALS Diagnosis Using Conditional WGAN with Weight Clipping
Amyotrophic Lateral Sclerosis (ALS) is a rare neurodegenerative disease, and high-quality EEG data from ALS patients are scarce. This data scarcity, coupled with severe class imbalance between ALS and healthy control recordings, poses a challenge for training reliable machine learning classifiers. In this work, we address these issues by generating synthetic EEG signals for ALS patients using a Conditional Wasserstein Generative Adversarial Network (CWGAN). We train CWGAN on a private EEG dataset (ALS vs. non-ALS) to learn the distribution of ALS EEG signals and produce realistic synthetic samples. We preprocess and normalize EEG recordings, and train a CWGAN model to generate synthetic ALS signals. The CWGAN architecture and training routine are detailed, with key hyperparameters chosen for stable training. Qualitative evaluation of generated signals shows that they closely mimic real ALS EEG patterns. The CWGAN training converged with generator and discriminator loss curves stabilizing, indicating successful learning. The synthetic EEG signals appear realistic and have potential use as augmented data for training classifiers, helping to mitigate class imbalance and improve ALS detection accuracy. We discuss how this approach can facilitate data sharing and enhance diagnostic models.
comment: The code is available on GitHub: https://github.com/abdulvahapmutlu/als-synthetic-data-augmentation-wgan
☆ Active MRI Acquisition with Diffusion Guided Bayesian Experimental Design
A key challenge in maximizing the benefits of Magnetic Resonance Imaging (MRI) in clinical settings is to accelerate acquisition times without significantly degrading image quality. This objective requires a balance between under-sampling the raw k-space measurements for faster acquisitions and gathering sufficient raw information for high-fidelity image reconstruction and analysis tasks. To achieve this balance, we propose to use sequential Bayesian experimental design (BED) to provide an adaptive and task-dependent selection of the most informative measurements. Measurements are sequentially augmented with new samples selected to maximize information gain on a posterior distribution over target images. Selection is performed via a gradient-based optimization of a design parameter that defines a subsampling pattern. In this work, we introduce a new active BED procedure that leverages diffusion-based generative models to handle the high dimensionality of the images and employs stochastic optimization to select among a variety of patterns while meeting the acquisition process constraints and budget. So doing, we show how our setting can optimize, not only standard image reconstruction, but also any associated image analysis task. The versatility and performance of our approach are demonstrated on several MRI acquisitions.
☆ Think Global, Act Local: Bayesian Causal Discovery with Language Models in Sequential Data
Causal discovery from observational data typically assumes full access to data and availability of domain experts. In practice, data often arrive in batches, and expert knowledge is scarce. Language Models (LMs) offer a surrogate but come with their own issues-hallucinations, inconsistencies, and bias. We present BLANCE (Bayesian LM-Augmented Causal Estimation)-a hybrid Bayesian framework that bridges these gaps by adaptively integrating sequential batch data with LM-derived noisy, expert knowledge while accounting for both data-induced and LM-induced biases. Our proposed representation shift from Directed Acyclic Graph (DAG) to Partial Ancestral Graph (PAG) accommodates ambiguities within a coherent Bayesian framework, allowing grounding the global LM knowledge in local observational data. To guide LM interaction, we use a sequential optimization scheme that adaptively queries the most informative edges. Across varied datasets, BLANCE outperforms prior work in structural accuracy and extends to Bayesian parameter estimation, showing robustness to LM noise.
comment: 24 pages, preprint
☆ Can AI Dream of Unseen Galaxies? Conditional Diffusion Model for Galaxy Morphology Augmentation
Observational astronomy relies on visual feature identification to detect critical astrophysical phenomena. While machine learning (ML) increasingly automates this process, models often struggle with generalization in large-scale surveys due to the limited representativeness of labeled datasets -- whether from simulations or human annotation -- a challenge pronounced for rare yet scientifically valuable objects. To address this, we propose a conditional diffusion model to synthesize realistic galaxy images for augmenting ML training data. Leveraging the Galaxy Zoo 2 dataset which contains visual feature -- galaxy image pairs from volunteer annotation, we demonstrate that our model generates diverse, high-fidelity galaxy images closely adhere to the specified morphological feature conditions. Moreover, this model enables generative extrapolation to project well-annotated data into unseen domains and advancing rare object detection. Integrating synthesized images into ML pipelines improves performance in standard morphology classification, boosting completeness and purity by up to 30\% across key metrics. For rare object detection, using early-type galaxies with prominent dust lane features ( $\sim$0.1\% in GZ2 dataset) as a test case, our approach doubled the number of detected instances from 352 to 872, compared to previous studies based on visual inspection. This study highlights the power of generative models to bridge gaps between scarce labeled data and the vast, uncharted parameter space of observational astronomy and sheds insight for future astrophysical foundation model developments. Our project homepage is available at https://galaxysd-webpage.streamlit.app/.
comment: We have submitted to AAS journals. See another independent work for further reference -- Category-based Galaxy Image Generation via Diffusion Models (Fan, Tang et al.). Comments are welcome
☆ Malware Classification Leveraging NLP & Machine Learning for Enhanced Accuracy
This paper investigates the application of natural language processing (NLP)-based n-gram analysis and machine learning techniques to enhance malware classification. We explore how NLP can be used to extract and analyze textual features from malware samples through n-grams, contiguous string or API call sequences. This approach effectively captures distinctive linguistic patterns among malware and benign families, enabling finer-grained classification. We delve into n-gram size selection, feature representation, and classification algorithms. While evaluating our proposed method on real-world malware samples, we observe significantly improved accuracy compared to the traditional methods. By implementing our n-gram approach, we achieved an accuracy of 99.02% across various machine learning algorithms by using hybrid feature selection technique to address high dimensionality. Hybrid feature selection technique reduces the feature set to only 1.6% of the original features.
☆ From Pixels to CSI: Distilling Latent Dynamics For Efficient Wireless Resource Management
In this work, we aim to optimize the radio resource management of a communication system between a remote controller and its device, whose state is represented through image frames, without compromising the performance of the control task. We propose a novel machine learning (ML) technique to jointly model and predict the dynamics of the control system as well as the wireless propagation environment in latent space. Our method leverages two coupled joint-embedding predictive architectures (JEPAs): a control JEPA models the control dynamics and guides the predictions of a wireless JEPA, which captures the dynamics of the device's channel state information (CSI) through cross-modal conditioning. We then train a deep reinforcement learning (RL) algorithm to derive a control policy from latent control dynamics and a power predictor to estimate scheduling intervals with favorable channel conditions based on latent CSI representations. As such, the controller minimizes the usage of radio resources by utilizing the coupled JEPA networks to imagine the device's trajectory in latent space. We present simulation results on synthetic multimodal data and show that our proposed approach reduces transmit power by over 50% while maintaining control performance comparable to baseline methods that do not account for wireless optimization.
☆ VideoGAN-based Trajectory Proposal for Automated Vehicles
Being able to generate realistic trajectory options is at the core of increasing the degree of automation of road vehicles. While model-driven, rule-based, and classical learning-based methods are widely used to tackle these tasks at present, they can struggle to effectively capture the complex, multimodal distributions of future trajectories. In this paper we investigate whether a generative adversarial network (GAN) trained on videos of bird's-eye view (BEV) traffic scenarios can generate statistically accurate trajectories that correctly capture spatial relationships between the agents. To this end, we propose a pipeline that uses low-resolution BEV occupancy grid videos as training data for a video generative model. From the generated videos of traffic scenarios we extract abstract trajectory data using single-frame object detection and frame-to-frame object matching. We particularly choose a GAN architecture for the fast training and inference times with respect to diffusion models. We obtain our best results within 100 GPU hours of training, with inference times under 20\,ms. We demonstrate the physical realism of the proposed trajectories in terms of distribution alignment of spatial and dynamic parameters with respect to the ground truth videos from the Waymo Open Motion Dataset.
☆ Efficient and Privacy-Preserving Soft Prompt Transfer for LLMs ICML2025
Prompting has become a dominant paradigm for adapting large language models (LLMs). While discrete (textual) prompts are widely used for their interpretability, soft (parameter) prompts have recently gained traction in APIs. This is because they can encode information from more training samples while minimizing the user's token usage, leaving more space in the context window for task-specific input. However, soft prompts are tightly coupled to the LLM they are tuned on, limiting their generalization to other LLMs. This constraint is particularly problematic for efficiency and privacy: (1) tuning prompts on each LLM incurs high computational costs, especially as LLMs continue to grow in size. Additionally, (2) when the LLM is hosted externally, soft prompt tuning often requires sharing private data with the LLM provider. For instance, this is the case with the NVIDIA NeMo API. To address these issues, we propose POST (Privacy Of Soft prompt Transfer), a framework that enables private tuning of soft prompts on a small model and subsequently transfers these prompts to a larger LLM. POST uses knowledge distillation to derive a small model directly from the large LLM to improve prompt transferability, tunes the soft prompt locally, optionally with differential privacy guarantees, and transfers it back to the larger LLM using a small public dataset. Our experiments show that POST reduces computational costs, preserves privacy, and effectively transfers high-utility soft prompts.
comment: Accepted at ICML2025
☆ CP$^2$: Leveraging Geometry for Conformal Prediction via Canonicalization
We study the problem of conformal prediction (CP) under geometric data shifts, where data samples are susceptible to transformations such as rotations or flips. While CP endows prediction models with post-hoc uncertainty quantification and formal coverage guarantees, their practicality breaks under distribution shifts that deteriorate model performance. To address this issue, we propose integrating geometric information--such as geometric pose--into the conformal procedure to reinstate its guarantees and ensure robustness under geometric shifts. In particular, we explore recent advancements on pose canonicalization as a suitable information extractor for this purpose. Evaluating the combined approach across discrete and continuous shifts and against equivariant and augmentation-based baselines, we find that integrating geometric information with CP yields a principled way to address geometric shifts while maintaining broad applicability to black-box predictors.
comment: 17 pages, 7 figures, 9 tables (including appendix); published at UAI 2025
☆ Hallucination Level of Artificial Intelligence Whisperer: Case Speech Recognizing Pantterinousut Rap Song
All languages are peculiar. Some of them are considered more challenging to understand than others. The Finnish Language is known to be a complex language. Also, when languages are used by artists, the pronunciation and meaning might be more tricky to understand. Therefore, we are putting AI to a fun, yet challenging trial: translating a Finnish rap song to text. We will compare the Faster Whisperer algorithm and YouTube's internal speech-to-text functionality. The reference truth will be Finnish rap lyrics, which the main author's little brother, Mc Timo, has written. Transcribing the lyrics will be challenging because the artist raps over synth music player by Syntikka Janne. The hallucination level and mishearing of AI speech-to-text extractions will be measured by comparing errors made against the original Finnish lyrics. The error function is informal but still works for our case.
comment: 15 pages, 10 figures
☆ From Teacher to Student: Tracking Memorization Through Model Distillation ACL 2025
Large language models (LLMs) are known to memorize parts of their training data, raising important concerns around privacy and security. While previous research has focused on studying memorization in pre-trained models, much less is known about how knowledge distillation (KD) affects memorization.In this study, we explore how different KD methods influence the memorization of fine-tuned task data when a large teacher model is distilled into smaller student variants.This study demonstrates that distilling a larger teacher model, fine-tuned on a dataset, into a smaller variant not only lowers computational costs and model size but also significantly reduces the memorization risks compared to standard fine-tuning approaches.
comment: 5 pages, in-proceedings L2M2 @ ACL 2025
☆ Geometric Learning in Black-Box Optimization: A GNN Framework for Algorithm Performance Prediction
Automated algorithm performance prediction in numerical blackbox optimization often relies on problem characterizations, such as exploratory landscape analysis features. These features are typically used as inputs to machine learning models and are represented in a tabular format. However, such approaches often overlook algorithm configurations, a key factor influencing performance. The relationships between algorithm operators, parameters, problem characteristics, and performance outcomes form a complex structure best represented as a graph. This work explores the use of heterogeneous graph data structures and graph neural networks to predict the performance of optimization algorithms by capturing the complex dependencies between problems, algorithm configurations, and performance outcomes. We focus on two modular frameworks, modCMA-ES and modDE, which decompose two widely used derivative-free optimization algorithms: the covariance matrix adaptation evolution strategy (CMA-ES) and differential evolution (DE). We evaluate 324 modCMA-ES and 576 modDE variants on 24 BBOB problems across six runtime budgets and two problem dimensions. Achieving up to 36.6% improvement in MSE over traditional tabular-based methods, this work highlights the potential of geometric learning in black-box optimization.
☆ GRPO-CARE: Consistency-Aware Reinforcement Learning for Multimodal Reasoning
Recent reinforcement learning approaches, such as outcome-supervised GRPO, have advanced Chain-of-Thought reasoning in large language models (LLMs), yet their adaptation to multimodal LLMs (MLLMs) is unexplored. To address the lack of rigorous evaluation for MLLM post-training methods, we introduce SEED-Bench-R1, a benchmark with complex real-world videos requiring balanced perception and reasoning. It offers a large training set and evaluates generalization across three escalating challenges: in-distribution, cross-environment, and cross-environment-task scenarios. Using SEED-Bench-R1, we find that standard GRPO, while improving answer accuracy, often reduces logical coherence between reasoning steps and answers, with only a 57.9% consistency rate. This stems from reward signals focusing solely on final answers, encouraging shortcuts, and strict KL penalties limiting exploration.To address this, we propose GRPO-CARE, a consistency-aware RL framework optimizing both answer correctness and reasoning coherence without explicit supervision. GRPO-CARE introduces a two-tiered reward: (1) a base reward for answer correctness, and (2) an adaptive consistency bonus, computed by comparing the model's reasoning-to-answer likelihood (via a slowly-evolving reference model) against group peers.This dual mechanism amplifies rewards for reasoning paths that are both correct and logically consistent. Replacing KL penalties with this adaptive bonus, GRPO-CARE outperforms standard GRPO on SEED-Bench-R1, achieving a 6.7% performance gain on the hardest evaluation level and a 24.5% improvement in consistency. It also shows strong transferability, improving model performance across diverse video understanding benchmarks. Our work contributes a systematically designed benchmark and a generalizable post-training framework, advancing the development of more interpretable and robust MLLMs.
comment: Code released at: https://github.com/TencentARC/GRPO-CARE
☆ Solving Zero-Sum Convex Markov Games ICML 2025
We contribute the first provable guarantees of global convergence to Nash equilibria (NE) in two-player zero-sum convex Markov games (cMGs) by using independent policy gradient methods. Convex Markov games, recently defined by Gemp et al. (2024), extend Markov decision processes to multi-agent settings with preferences that are convex over occupancy measures, offering a broad framework for modeling generic strategic interactions. However, even the fundamental min-max case of cMGs presents significant challenges, including inherent nonconvexity, the absence of Bellman consistency, and the complexity of the infinite horizon. We follow a two-step approach. First, leveraging properties of hidden-convex--hidden-concave functions, we show that a simple nonconvex regularization transforms the min-max optimization problem into a nonconvex-proximal Polyak-Lojasiewicz (NC-pPL) objective. Crucially, this regularization can stabilize the iterates of independent policy gradient methods and ultimately lead them to converge to equilibria. Second, building on this reduction, we address the general constrained min-max problems under NC-pPL and two-sided pPL conditions, providing the first global convergence guarantees for stochastic nested and alternating gradient descent-ascent methods, which we believe may be of independent interest.
comment: To appear in the Proceedings of the 2025 International Conference on Machine Learning (ICML 2025)
☆ Mitigating Over-Squashing in Graph Neural Networks by Spectrum-Preserving Sparsification ICML 2025
The message-passing paradigm of Graph Neural Networks often struggles with exchanging information across distant nodes typically due to structural bottlenecks in certain graph regions, a limitation known as \textit{over-squashing}. To reduce such bottlenecks, \textit{graph rewiring}, which modifies graph topology, has been widely used. However, existing graph rewiring techniques often overlook the need to preserve critical properties of the original graph, e.g., \textit{spectral properties}. Moreover, many approaches rely on increasing edge count to improve connectivity, which introduces significant computational overhead and exacerbates the risk of over-smoothing. In this paper, we propose a novel graph rewiring method that leverages \textit{spectrum-preserving} graph \textit{sparsification}, for mitigating over-squashing. Our method generates graphs with enhanced connectivity while maintaining sparsity and largely preserving the original graph spectrum, effectively balancing structural bottleneck reduction and graph property preservation. Experimental results validate the effectiveness of our approach, demonstrating its superiority over strong baseline methods in classification accuracy and retention of the Laplacian spectrum.
comment: Published as a conference paper at ICML 2025
☆ A Brain-to-Population Graph Learning Framework for Diagnosing Brain Disorders
Recent developed graph-based methods for diagnosing brain disorders using functional connectivity highly rely on predefined brain atlases, but overlook the rich information embedded within atlases and the confounding effects of site and phenotype variability. To address these challenges, we propose a two-stage Brain-to-Population Graph Learning (B2P-GL) framework that integrates the semantic similarity of brain regions and condition-based population graph modeling. In the first stage, termed brain representation learning, we leverage brain atlas knowledge from GPT-4 to enrich the graph representation and refine the brain graph through an adaptive node reassignment graph attention network. In the second stage, termed population disorder diagnosis, phenotypic data is incorporated into population graph construction and feature fusion to mitigate confounding effects and enhance diagnosis performance. Experiments on the ABIDE I, ADHD-200, and Rest-meta-MDD datasets show that B2P-GL outperforms state-of-the-art methods in prediction accuracy while enhancing interpretability. Overall, our proposed framework offers a reliable and personalized approach to brain disorder diagnosis, advancing clinical applicability.
comment: 16 pages, 7 figures, 13 tables; this paper has been submitted for possible publication
☆ Diffusion-Based Hypothesis Testing and Change-Point Detection
Score-based methods have recently seen increasing popularity in modeling and generation. Methods have been constructed to perform hypothesis testing and change-point detection with score functions, but these methods are in general not as powerful as their likelihood-based peers. Recent works consider generalizing the score-based Fisher divergence into a diffusion-divergence by transforming score functions via multiplication with a matrix-valued function or a weight matrix. In this paper, we extend the score-based hypothesis test and change-point detection stopping rule into their diffusion-based analogs. Additionally, we theoretically quantify the performance of these diffusion-based algorithms and study scenarios where optimal performance is achievable. We propose a method of numerically optimizing the weight matrix and present numerical simulations to illustrate the advantages of diffusion-based algorithms.
☆ Investigating Lagrangian Neural Networks for Infinite Horizon Planning in Quadrupedal Locomotion
Lagrangian Neural Networks (LNNs) present a principled and interpretable framework for learning the system dynamics by utilizing inductive biases. While traditional dynamics models struggle with compounding errors over long horizons, LNNs intrinsically preserve the physical laws governing any system, enabling accurate and stable predictions essential for sustainable locomotion. This work evaluates LNNs for infinite horizon planning in quadrupedal robots through four dynamics models: (1) full-order forward dynamics (FD) training and inference, (2) diagonalized representation of Mass Matrix in full order FD, (3) full-order inverse dynamics (ID) training with FD inference, (4) reduced-order modeling via torso centre-of-mass (CoM) dynamics. Experiments demonstrate that LNNs bring improvements in sample efficiency (10x) and superior prediction accuracy (up to 2-10x) compared to baseline methods. Notably, the diagonalization approach of LNNs reduces computational complexity while retaining some interpretability, enabling real-time receding horizon control. These findings highlight the advantages of LNNs in capturing the underlying structure of system dynamics in quadrupeds, leading to improved performance and efficiency in locomotion planning and control. Additionally, our approach achieves a higher control frequency than previous LNN methods, demonstrating its potential for real-world deployment on quadrupeds.
comment: 6 pages, 5 figures, Accepted at Advances in Robotics (AIR) Conference 2025
Probing the Robustness of Large Language Models Safety to Latent Perturbations
Safety alignment is a key requirement for building reliable Artificial General Intelligence. Despite significant advances in safety alignment, we observe that minor latent shifts can still trigger unsafe responses in aligned models. We argue that this stems from the shallow nature of existing alignment methods, which focus on surface-level refusal behaviors without sufficiently altering internal representations. Consequently, small shifts in hidden activations can re-trigger harmful behaviors embedded in the latent space. To explore the robustness of safety alignment to latent perturbations, we introduce a probing method that measures the Negative Log-Likelihood of the original response generated by the model. This probe quantifies local sensitivity in the latent space, serving as a diagnostic tool for identifying vulnerable directions. Based on this signal, we construct effective jailbreak trajectories, giving rise to the Activation Steering Attack (ASA). More importantly, these insights offer a principled foundation for improving alignment robustness. To this end, we introduce Layer-wise Adversarial Patch Training~(LAPT), a fine-tuning strategy that inject controlled perturbations into hidden representations during training. Experimental results highlight that LAPT strengthen alignment robustness without compromising general capabilities. Our findings reveal fundamental flaws in current alignment paradigms and call for representation-level training strategies that move beyond surface-level behavior supervision. Codes and results are available at https://github.com/Carol-gutianle/LatentSafety.
☆ Joint User Priority and Power Scheduling for QoS-Aware WMMSE Precoding: A Constrained-Actor Attentive-Critic Approach
6G wireless networks are expected to support diverse quality-of-service (QoS) demands while maintaining high energy efficiency. Weighted Minimum Mean Square Error (WMMSE) precoding with fixed user priorities and transmit power is widely recognized for enhancing overall system performance but lacks flexibility to adapt to user-specific QoS requirements and time-varying channel conditions. To address this, we propose a novel constrained reinforcement learning (CRL) algorithm, Constrained-Actor Attentive-Critic (CAAC), which uses a policy network to dynamically allocate user priorities and power for WMMSE precoding. Specifically, CAAC integrates a Constrained Stochastic Successive Convex Approximation (CSSCA) method to optimize the policy, enabling more effective handling of energy efficiency goals and satisfaction of stochastic non-convex QoS constraints compared to traditional and existing CRL methods. Moreover, CAAC employs lightweight attention-enhanced Q-networks to evaluate policy updates without prior environment model knowledge. The network architecture not only enhances representational capacity but also boosts learning efficiency. Simulation results show that CAAC outperforms baselines in both energy efficiency and QoS satisfaction.
☆ A Lightweight RL-Driven Deep Unfolding Network for Robust WMMSE Precoding in Massive MU-MIMO-OFDM Systems
Weighted Minimum Mean Square Error (WMMSE) precoding is widely recognized for its near-optimal weighted sum rate performance. However, its practical deployment in massive multi-user (MU) multiple-input multiple-output (MIMO) orthogonal frequency-division multiplexing (OFDM) systems is hindered by the assumption of perfect channel state information (CSI) and high computational complexity. To address these issues, we first develop a wideband stochastic WMMSE (SWMMSE) algorithm that iteratively maximizes the ergodic weighted sum-rate (EWSR) under imperfect CSI. Building on this, we propose a lightweight reinforcement learning (RL)-driven deep unfolding (DU) network (RLDDU-Net), where each SWMMSE iteration is mapped to a network layer. Specifically, its DU module integrates approximation techniques and leverages beam-domain sparsity as well as frequency-domain subcarrier correlation, significantly accelerating convergence and reducing computational overhead. Furthermore, the RL module adaptively adjusts the network depth and generates compensation matrices to mitigate approximation errors. Simulation results under imperfect CSI demonstrate that RLDDU-Net outperforms existing baselines in EWSR performance while offering superior computational and convergence efficiency.
☆ Floating-Point Neural Networks Are Provably Robust Universal Approximators
The classical universal approximation (UA) theorem for neural networks establishes mild conditions under which a feedforward neural network can approximate a continuous function $f$ with arbitrary accuracy. A recent result shows that neural networks also enjoy a more general interval universal approximation (IUA) theorem, in the sense that the abstract interpretation semantics of the network using the interval domain can approximate the direct image map of $f$ (i.e., the result of applying $f$ to a set of inputs) with arbitrary accuracy. These theorems, however, rest on the unrealistic assumption that the neural network computes over infinitely precise real numbers, whereas their software implementations in practice compute over finite-precision floating-point numbers. An open question is whether the IUA theorem still holds in the floating-point setting. This paper introduces the first IUA theorem for floating-point neural networks that proves their remarkable ability to perfectly capture the direct image map of any rounded target function $f$, showing no limits exist on their expressiveness. Our IUA theorem in the floating-point setting exhibits material differences from the real-valued setting, which reflects the fundamental distinctions between these two computational models. This theorem also implies surprising corollaries, which include (i) the existence of provably robust floating-point neural networks; and (ii) the computational completeness of the class of straight-line programs that use only floating-point additions and multiplications for the class of all floating-point programs that halt.
comment: 70 pages, 4 figures. Appearing in CAV 2025
☆ CRIA: A Cross-View Interaction and Instance-Adapted Pre-training Framework for Generalizable EEG Representations
The difficulty of extracting deep features from EEG data and effectively integrating information from multiple views presents significant challenges for developing a generalizable pretraining framework for EEG representation learning. However, most existing pre-training methods rely solely on the contextual semantics of a single view, failing to capture the complex and synergistic interactions among different perspectives, limiting the expressiveness and generalization of learned representations. To address these issues, this paper proposes CRIA, an adaptive framework that utilizes variable-length and variable-channel coding to achieve a unified representation of EEG data across different datasets. In this work, we define cross-view information as the integrated representation that emerges from the interaction among temporal, spectral, and spatial views of EEG signals. The model employs a cross-attention mechanism to fuse temporal, spectral, and spatial features effectively, and combines an attention matrix masking strategy based on the information bottleneck principle with a novel viewpoint masking pre-training scheme. Experimental results on the Temple University EEG corpus and the CHB-MIT dataset show that CRIA outperforms existing methods with the same pre-training conditions, achieving a balanced accuracy of 57.02% for multi-class event classification and 80.03% for anomaly detection, highlighting its strong generalization ability.
☆ From Data to Decision: Data-Centric Infrastructure for Reproducible ML in Collaborative eScience
Reproducibility remains a central challenge in machine learning (ML), especially in collaborative eScience projects where teams iterate over data, features, and models. Current ML workflows are often dynamic yet fragmented, relying on informal data sharing, ad hoc scripts, and loosely connected tools. This fragmentation impedes transparency, reproducibility, and the adaptability of experiments over time. This paper introduces a data-centric framework for lifecycle-aware reproducibility, centered around six structured artifacts: Dataset, Feature, Workflow, Execution, Asset, and Controlled Vocabulary. These artifacts formalize the relationships between data, code, and decisions, enabling ML experiments to be versioned, interpretable, and traceable over time. The approach is demonstrated through a clinical ML use case of glaucoma detection, illustrating how the system supports iterative exploration, improves reproducibility, and preserves the provenance of collaborative decisions across the ML lifecycle.
☆ DynScaling: Efficient Verifier-free Inference Scaling via Dynamic and Integrated Sampling
Inference-time scaling has proven effective in boosting large language model (LLM) performance through increased test-time computation. Yet, its practical application is often hindered by reliance on external verifiers or a lack of optimization for realistic computational constraints. We propose DynScaling, which addresses these limitations through two primary innovations: an integrated parallel-sequential sampling strategy and a bandit-based dynamic budget allocation framework. The integrated sampling strategy unifies parallel and sequential sampling by constructing synthetic sequential reasoning chains from initially independent parallel responses, promoting diverse and coherent reasoning trajectories. The dynamic budget allocation framework formulates the allocation of computational resources as a multi-armed bandit problem, adaptively distributing the inference budget across queries based on the uncertainty of previously sampled responses, thereby maximizing computational efficiency. By combining these components, DynScaling effectively improves LLM performance under practical resource constraints without the need for external verifiers. Experimental results demonstrate that DynScaling consistently surpasses existing verifier-free inference scaling baselines in both task performance and computational cost.
☆ OSWorld-Human: Benchmarking the Efficiency of Computer-Use Agents
Generative AI is being leveraged to solve a variety of computer-use tasks involving desktop applications. State-of-the-art systems have focused solely on improving accuracy on leading benchmarks. However, these systems are practically unusable due to extremely high end-to-end latency (e.g., tens of minutes) for tasks that typically take humans just a few minutes to complete. To understand the cause behind this and to guide future developments of computer agents, we conduct the first study on the temporal performance of computer-use agents on OSWorld, the flagship benchmark in computer-use AI. We find that large model calls for planning and reflection account for the majority of the overall latency, and as an agent uses more steps to complete a task, each successive step can take 3x longer than steps at the beginning of a task. We then construct OSWorld-Human, a manually annotated version of the original OSWorld dataset that contains a human-determined trajectory for each task. We evaluate 16 agents on their efficiency using OSWorld-Human and found that even the highest-scoring agents on OSWorld take 1.4-2.7x more steps than necessary.
☆ Enhancing Document-Level Question Answering via Multi-Hop Retrieval-Augmented Generation with LLaMA 3
This paper presents a novel Retrieval-Augmented Generation (RAG) framework tailored for complex question answering tasks, addressing challenges in multi-hop reasoning and contextual understanding across lengthy documents. Built upon LLaMA 3, the framework integrates a dense retrieval module with advanced context fusion and multi-hop reasoning mechanisms, enabling more accurate and coherent response generation. A joint optimization strategy combining retrieval likelihood and generation cross-entropy improves the model's robustness and adaptability. Experimental results show that the proposed system outperforms existing retrieval-augmented and generative baselines, confirming its effectiveness in delivering precise, contextually grounded answers.
☆ Vision-Guided Chunking Is All You Need: Enhancing RAG with Multimodal Document Understanding
Retrieval-Augmented Generation (RAG) systems have revolutionized information retrieval and question answering, but traditional text-based chunking methods struggle with complex document structures, multi-page tables, embedded figures, and contextual dependencies across page boundaries. We present a novel multimodal document chunking approach that leverages Large Multimodal Models (LMMs) to process PDF documents in batches while maintaining semantic coherence and structural integrity. Our method processes documents in configurable page batches with cross-batch context preservation, enabling accurate handling of tables spanning multiple pages, embedded visual elements, and procedural content. We evaluate our approach on a curated dataset of PDF documents with manually crafted queries, demonstrating improvements in chunk quality and downstream RAG performance. Our vision-guided approach achieves better accuracy compared to traditional vanilla RAG systems, with qualitative analysis showing superior preservation of document structure and semantic coherence.
comment: 11 pages, 1 Figure, 1 Table
♻ ☆ Integrating Dynamical Systems Learning with Foundational Models: A Meta-Evolutionary AI Framework for Clinical Trials
Artificial intelligence (AI) has evolved into an ecosystem of specialized "species," each with unique strengths. We analyze two: DeepSeek-V3, a 671-billion-parameter Mixture of Experts large language model (LLM) exemplifying scale-driven generality, and NetraAI, a dynamical system-based framework engineered for stability and interpretability on small clinical trial datasets. We formalize NetraAI's foundations, combining contraction mappings, information geometry, and evolutionary algorithms to identify predictive patient cohorts. Features are embedded in a metric space and iteratively contracted toward stable attractors that define latent subgroups. A pseudo-temporal embedding and long-range memory enable exploration of higher-order feature interactions, while an internal evolutionary loop selects compact, explainable 2-4-variable bundles ("Personas"). To guide discovery, we introduce an LLM Strategist as a meta-evolutionary layer that observes Persona outputs, prioritizes promising variables, injects domain knowledge, and assesses robustness. This two-tier architecture mirrors the human scientific process: NetraAI as experimentalist, the LLM as theorist, forming a self-improving loop. In case studies (schizophrenia, depression, pancreatic cancer), NetraAI uncovered small, high-effect-size subpopulations that transformed weak baseline models (AUC ~0.50-0.68) into near-perfect classifiers using only a few features. We position NetraAI at the intersection of dynamical systems, information geometry, and evolutionary learning, aligned with emerging concept-level reasoning paradigms such as LeCun's Joint Embedding Predictive Architecture (JEPA). By prioritizing reliable, explainable knowledge, NetraAI offers a new generation of adaptive, self-reflective AI to accelerate clinical discovery.
comment: 27 pages
♻ ☆ Distributional Adversarial Loss
We initiate the study of a new notion of adversarial loss which we call distributional adversarial loss. In this notion, we assume for each original example, the allowed adversarial perturbation set is a family of distributions, and the adversarial loss over each example is the maximum loss over all the associated distributions. The goal is to minimize the overall adversarial loss. We show sample complexity bounds in the PAC-learning setting for our notion of adversarial loss. Our notion of adversarial loss contrasts the prior work on robust learning that considers a set of points, not distributions, as the perturbation set of each clean example. As an application of our approach, we show how to unify the two lines of work on randomized smoothing and robust learning in the PAC-learning setting and derive sample complexity bounds for randomized smoothing methods. Furthermore, we investigate the role of randomness in achieving robustness against adversarial attacks. We show a general derandomization technique that preserves the extent of a randomized classifier's robustness against adversarial attacks and show its effectiveness empirically.
♻ ☆ Learning to Route LLMs with Confidence Tokens
Large language models (LLMs) have demonstrated impressive performance on several tasks and are increasingly deployed in real-world applications. However, especially in high-stakes settings, it becomes vital to know when the output of an LLM may be unreliable. Depending on whether an answer is trustworthy, a system can then choose to route the question to another expert, or otherwise fall back on a safe default behavior. In this work, we study the extent to which LLMs can reliably indicate confidence in their answers, and how this notion of confidence can translate into downstream accuracy gains. We propose Self-Reflection with Error-based Feedback (Self-REF), a lightweight training strategy to teach LLMs to express confidence in whether their answers are correct in a reliable manner. Self-REF introduces confidence tokens into the LLM, from which a confidence score can be extracted. Compared to conventional approaches such as verbalizing confidence and examining token probabilities, we demonstrate empirically that confidence tokens show significant improvements in downstream routing and rejection learning tasks.
♻ ☆ Low-Resource Video Super-Resolution using Memory, Wavelets, and Deformable Convolutions
The tradeoff between reconstruction quality and compute required for video super-resolution (VSR) remains a formidable challenge in its adoption for deployment on resource-constrained edge devices. While transformer-based VSR models have set new benchmarks for reconstruction quality in recent years, these require substantial computational resources. On the other hand, lightweight models that have been introduced even recently struggle to deliver state-of-the-art reconstruction. We propose a novel lightweight and parameter-efficient neural architecture for VSR that achieves state-of-the-art reconstruction accuracy with just 2.3 million parameters. Our model enhances information utilization based on several architectural attributes. Firstly, it uses 2D wavelet decompositions strategically interlayered with learnable convolutional layers to utilize the inductive prior of spatial sparsity of edges in visual data. Secondly, it uses a single memory tensor to capture inter-frame temporal information while avoiding the computational cost of previous memory-based schemes. Thirdly, it uses residual deformable convolutions for implicit inter-frame object alignment that improve upon deformable convolutions by enhancing spatial information in inter-frame feature differences. Architectural insights from our model can pave the way for real-time VSR on the edge, such as display devices for streaming data.
♻ ☆ Lion Secretly Solves Constrained Optimization: As Lyapunov Predicts ICLR 2024
Lion (Evolved Sign Momentum), a new optimizer discovered through program search, has shown promising results in training large AI models. It performs comparably or favorably to AdamW but with greater memory efficiency. As we can expect from the results of a random search program, Lion incorporates elements from several existing algorithms, including signed momentum, decoupled weight decay, Polak, and Nesterov momentum, but does not fit into any existing category of theoretically grounded optimizers. Thus, even though Lion appears to perform well as a general-purpose optimizer for a wide range of tasks, its theoretical basis remains uncertain. This lack of theoretical clarity limits opportunities to further enhance and expand Lion's efficacy. This work aims to demystify Lion. Based on both continuous-time and discrete-time analysis, we demonstrate that Lion is a theoretically novel and principled approach for minimizing a general loss function $f(x)$ while enforcing a bound constraint $\|x\|_\infty \leq 1/\lambda$. Lion achieves this through the incorporation of decoupled weight decay, where $\lambda$ represents the weight decay coefficient. Our analysis is made possible by the development of a new Lyapunov function for the Lion updates. It applies to a broader family of Lion-$\kappa$ algorithms, where the $\text{sign}(\cdot)$ operator in Lion is replaced by the subgradient of a convex function $\kappa$, leading to the solution of a general composite optimization problem of $\min_x f(x) + \kappa^*(x)$. Our findings provide valuable insights into the dynamics of Lion and pave the way for further improvements and extensions of Lion-related algorithms.
comment: ICLR 2024 Spotlight
♻ ☆ Harmonizing Safety and Speed: A Human-Algorithm Approach to Enhance the FDA's Medical Device Clearance Policy
The United States Food and Drug Administration's (FDA's) Premarket Notification 510(k) pathway allows manufacturers to gain approval for a medical device by demonstrating its substantial equivalence to another legally marketed device. However, the inherent ambiguity of this regulatory procedure has led to high recall rates for many devices cleared through this pathway. This trend has raised significant concerns regarding the efficacy of the FDA's current approach, prompting a reassessment of the 510(k) regulatory framework. In this paper, we develop a combined human-algorithm approach to assist the FDA in improving its 510(k) medical device clearance process by reducing the risk of recalls and the workload imposed on the FDA. We first develop machine learning methods to estimate the risk of recall of 510(k) medical devices based on the information available at submission time. We then propose a data-driven clearance policy that recommends acceptance, rejection, or deferral to FDA's committees for in-depth evaluation. We conduct an empirical study using a unique large-scale dataset of over 31,000 medical devices that we assembled based on data sources from the FDA and Centers for Medicare and Medicaid Service (CMS). A conservative evaluation of our proposed policy based on this data shows a 32.9% improvement in the recall rate and a 40.5% reduction in the FDA's workload. Our analyses also indicate that implementing our policy could result in significant annual cost savings of $1.7 billion, which highlights the value of using a holistic and data-driven approach to improve the FDA's current 510(k) medical device evaluation pathway.
♻ ☆ MonoSOWA: Scalable monocular 3D Object detector Without human Annotations
Inferring object 3D position and orientation from a single RGB camera is a foundational task in computer vision with many important applications. Traditionally, 3D object detection methods are trained in a fully-supervised setup, requiring LiDAR and vast amounts of human annotations, which are laborious, costly, and do not scale well with the ever-increasing amounts of data being captured. We present a novel method to train a 3D object detector from a single RGB camera without domain-specific human annotations, making orders of magnitude more data available for training. The method uses newly proposed Local Object Motion Model to disentangle object movement source between subsequent frames, is approximately 700 times faster than previous work and compensates camera focal length differences to aggregate multiple datasets. The method is evaluated on three public datasets, where despite using no human labels, it outperforms prior work by a significant margin. It also shows its versatility as a pre-training tool for fully-supervised training and shows that combining pseudo-labels from multiple datasets can achieve comparable accuracy to using human labels from a single dataset. The source code and model are available at https://github.com/jskvrna/MonoSOWA.
♻ ☆ A Implies B: Circuit Analysis in LLMs for Propositional Logical Reasoning
Due to the size and complexity of modern large language models (LLMs), it has proven challenging to uncover the underlying mechanisms that models use to solve reasoning problems. For instance, is their reasoning for a specific problem localized to certain parts of the network? Do they break down the reasoning problem into modular components that are then executed as sequential steps as we go deeper in the model? To better understand the reasoning capability of LLMs, we study a minimal propositional logic problem that requires combining multiple facts to arrive at a solution. By studying this problem on Mistral and Gemma models, up to 27B parameters, we illuminate the core components the models use to solve such logic problems. From a mechanistic interpretability point of view, we use causal mediation analysis to uncover the pathways and components of the LLMs' reasoning processes. Then, we offer fine-grained insights into the functions of attention heads in different layers. We not only find a sparse circuit that computes the answer, but we decompose it into sub-circuits that have four distinct and modular uses. Finally, we reveal that three distinct models -- Mistral-7B, Gemma-2-9B and Gemma-2-27B -- contain analogous but not identical mechanisms.
♻ ☆ ChatDBG: Augmenting Debugging with Large Language Models
Debugging is a critical but challenging task for programmers. This paper proposes ChatDBG, an AI-powered debugging assistant. ChatDBG integrates large language models (LLMs) to significantly enhance the capabilities and user-friendliness of conventional debuggers. ChatDBG lets programmers engage in a collaborative dialogue with the debugger, allowing them to pose complex questions about program state, perform root cause analysis for crashes or assertion failures, and explore open-ended queries like "why is x null?". To handle these queries, ChatDBG grants the LLM autonomy to "take the wheel": it can act as an independent agent capable of querying and controlling the debugger to navigate through stacks and inspect program state. It then reports its findings and yields back control to the programmer. By leveraging the real-world knowledge embedded in LLMs, ChatDBG can diagnose issues identifiable only through the use of domain-specific reasoning. Our ChatDBG prototype integrates with standard debuggers including LLDB and GDB for native code and Pdb for Python. Our evaluation across a diverse set of code, including C/C++ code with known bugs and a suite of Python code including standalone scripts and Jupyter notebooks, demonstrates that ChatDBG can successfully analyze root causes, explain bugs, and generate accurate fixes for a wide range of real-world errors. For the Python programs, a single query led to an actionable bug fix 67% of the time; one additional follow-up query increased the success rate to 85%. ChatDBG has seen rapid uptake; it has already been downloaded more than 75,000 times.
comment: 22 pages, https://doi.org/10.1145/3729355
♻ ☆ ScaleGNN: Towards Scalable Graph Neural Networks via Adaptive High-order Neighboring Feature Fusion
Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, when applied to large-scale real-world graphs, GNNs face two major challenges: First, it becomes increasingly difficult to ensure both scalability and efficiency, as the repeated aggregation of large neighborhoods leads to significant computational overhead; Second, the over-smoothing problem arises, where excessive or deep propagation makes node representations indistinguishable, severely hindering model expressiveness. To tackle these issues, we propose ScaleGNN, a novel framework that adaptively fuses multi-level graph features for both scalable and effective graph learning. ScaleGNN first constructs per-order neighbor matrices that capture only the exclusive structural information at each hop, avoiding the redundancy of conventional aggregation. A learnable fusion module then selectively integrates these features, emphasizing the most informative high-order neighbors. To further reduce redundancy and over-smoothing, we introduce a Local Contribution Score (LCS)-based masking mechanism to filter out less relevant high-order neighbors, ensuring that only the most meaningful information is aggregated. In addition, a task-aware feature fusion strategy dynamically balances low- and high-order information, preserving both local detail and global context without incurring excessive complexity. Extensive experiments on real-world datasets demonstrate that ScaleGNN consistently outperforms state-of-the-art GNNs in both predictive accuracy and computational efficiency, highlighting its practical value for large-scale graph learning.
♻ ☆ Essential-Web v1.0: 24T tokens of organized web data
Data plays the most prominent role in how language models acquire skills and knowledge. The lack of massive, well-organized pre-training datasets results in costly and inaccessible data pipelines. We present Essential-Web v1.0, a 24-trillion-token dataset in which every document is annotated with a twelve-category taxonomy covering topic, format, content complexity, and quality. Taxonomy labels are produced by EAI-Distill-0.5b, a fine-tuned 0.5b-parameter model that achieves an annotator agreement within 3% of Qwen2.5-32B-Instruct. With nothing more than SQL-style filters, we obtain competitive web-curated datasets in math (-8.0% relative to SOTA), web code (+14.3%), STEM (+24.5%) and medical (+8.6%). Essential-Web v1.0 is available on HuggingFace: https://huggingface.co/datasets/EssentialAI/essential-web-v1.0
comment: include MegaMath-Web-Pro
♻ ☆ On the Robustness of Decision-Focused Learning
Decision-Focused Learning (DFL) is an emerging learning paradigm that tackles the task of training a machine learning (ML) model to predict missing parameters of an incomplete optimization problem, where the missing parameters are predicted. DFL trains an ML model in an end-to-end system, by integrating the prediction and optimization tasks, providing better alignment of the training and testing objectives. DFL has shown a lot of promise and holds the capacity to revolutionize decision-making in many real-world applications. However, very little is known about the performance of these models under adversarial attacks. We adopt ten unique DFL methods and benchmark their performance under two distinctly focused attacks adapted towards the Predict-then-Optimize problem setting. Our study proposes the hypothesis that the robustness of a model is highly correlated with its ability to find predictions that lead to optimal decisions without deviating from the ground-truth label. Furthermore, we provide insight into how to target the models that violate this condition and show how these models respond differently depending on the achieved optimality at the end of their training cycles.
comment: 17 pages, 45 figures
♻ ☆ QG-SMS: Enhancing Test Item Analysis via Student Modeling and Simulation ACL 2025
While the Question Generation (QG) task has been increasingly adopted in educational assessments, its evaluation remains limited by approaches that lack a clear connection to the educational values of test items. In this work, we introduce test item analysis, a method frequently used by educators to assess test question quality, into QG evaluation. Specifically, we construct pairs of candidate questions that differ in quality across dimensions such as topic coverage, item difficulty, item discrimination, and distractor efficiency. We then examine whether existing QG evaluation approaches can effectively distinguish these differences. Our findings reveal significant shortcomings in these approaches with respect to accurately assessing test item quality in relation to student performance. To address this gap, we propose a novel QG evaluation framework, QG-SMS, which leverages Large Language Model for Student Modeling and Simulation to perform test item analysis. As demonstrated in our extensive experiments and human evaluation study, the additional perspectives introduced by the simulated student profiles lead to a more effective and robust assessment of test items.
comment: Camera Ready - ACL 2025 Main
♻ ☆ Competing Bandits in Decentralized Contextual Matching Markets
Sequential learning in a multi-agent resource constrained matching market has received significant interest in the past few years. We study decentralized learning in two-sided matching markets where the demand side (aka players or agents) competes for the supply side (aka arms) with potentially time-varying preferences to obtain a stable match. Motivated by the linear contextual bandit framework, we assume that for each agent, an arm-mean may be represented by a linear function of a known feature vector and an unknown (agent-specific) parameter. Moreover, the preferences over arms depend on a latent environment in each round, where the latent environment varies across rounds in a non-stationary manner. We propose learning algorithms to identify the latent environment and obtain stable matchings simultaneously. Our proposed algorithms achieve instance-dependent logarithmic regret, scaling independently of the number of arms, and hence applicable for a large market.
♻ ☆ Boosting multi-demographic federated learning for chest radiograph analysis using general-purpose self-supervised representations
Reliable artificial intelligence (AI) models for medical image analysis often depend on large and diverse labeled datasets. Federated learning (FL) offers a decentralized and privacy-preserving approach to training but struggles in highly non-independent and identically distributed (non-IID) settings, where institutions with more representative data may experience degraded performance. Moreover, existing large-scale FL studies have been limited to adult datasets, neglecting the unique challenges posed by pediatric data, which introduces additional non-IID variability. To address these limitations, we analyzed n=398,523 adult chest radiographs from diverse institutions across multiple countries and n=9,125 pediatric images, leveraging transfer learning from general-purpose self-supervised image representations to classify pneumonia and cases with no abnormality. Using state-of-the-art vision transformers, we found that FL improved performance only for smaller adult datasets (P<0.001) but degraded performance for larger datasets (P<0.064) and pediatric cases (P=0.242). However, equipping FL with self-supervised weights significantly enhanced outcomes across pediatric cases (P=0.031) and most adult datasets (P<0.008), except the largest dataset (P=0.052). These findings underscore the potential of easily deployable general-purpose self-supervised image representations to address non-IID challenges in clinical FL applications and highlight their promise for enhancing patient outcomes and advancing pediatric healthcare, where data scarcity and variability remain persistent obstacles.
comment: Published in European Journal of Radiology Artificial Intelligence
♻ ☆ AlphaTrans: A Neuro-Symbolic Compositional Approach for Repository-Level Code Translation and Validation
Code translation transforms programs from one programming language (PL) to another. Several rule-based transpilers have been designed to automate code translation between different pairs of PLs. However, the rules can become obsolete as the PLs evolve and cannot generalize to other PLs. Recent studies have explored the automation of code translation using Large Language Models (LLMs). One key observation is that such techniques may work well for crafted benchmarks but fail to generalize to the scale and complexity of real-world projects with dependencies, custom types, PL-specific features, etc. We propose AlphaTrans, a neuro-symbolic approach to automate repository-level code translation. AlphaTrans translates both source and test code, and employs multiple levels of validation to ensure the translation preserves the functionality of the source program. To break down the problem for LLMs, AlphaTrans leverages program analysis to decompose the program into fragments and translates them in the reverse call order. We leveraged AlphaTrans to translate ten real-world open-source projects consisting of <836, 8575, 2719> classes, methods, and tests. AlphaTrans breaks down these projects into 17874 fragments and translates the entire repository. 96.40% of the translated fragments are syntactically correct, and AlphaTrans validates the translations' runtime behavior and functional correctness for 27.03% and 25.14% of fragments. On average, the integrated translation and validation take 34 hours to translate a project, showing its scalability in practice. For the incorrect translations, AlphaTrans generates a report including existing translation, stack trace, test errors, or assertion failures. We provided these artifacts to two developers to fix the translation bugs in four projects. They were able to fix the issues in 20.1 hours on average and achieve all passing tests.
comment: Published in FSE 2025
♻ ☆ Human-like Forgetting Curves in Deep Neural Networks
This study bridges cognitive science and neural network design by examining whether artificial models exhibit human-like forgetting curves. Drawing upon Ebbinghaus' seminal work on memory decay and principles of spaced repetition, we propose a quantitative framework to measure information retention in neural networks. Our approach computes the recall probability by evaluating the similarity between a network's current hidden state and previously stored prototype representations. This retention metric facilitates the scheduling of review sessions, thereby mitigating catastrophic forgetting during deployment and enhancing training efficiency by prompting targeted reviews. Our experiments with Multi-Layer Perceptrons reveal human-like forgetting curves, with knowledge becoming increasingly robust through scheduled reviews. This alignment between neural network forgetting curves and established human memory models identifies neural networks as an architecture that naturally emulates human memory decay and can inform state-of-the-art continual learning algorithms.
♻ ☆ PerceptionLM: Open-Access Data and Models for Detailed Visual Understanding
Vision-language models are integral to computer vision research, yet many high-performing models remain closed-source, obscuring their data, design and training recipe. The research community has responded by using distillation from black-box models to label training data, achieving strong benchmark results, at the cost of measurable scientific progress. However, without knowing the details of the teacher model and its data sources, scientific progress remains difficult to measure. In this paper, we study building a Perception Language Model (PLM) in a fully open and reproducible framework for transparent research in image and video understanding. We analyze standard training pipelines without distillation from proprietary models and explore large-scale synthetic data to identify critical data gaps, particularly in detailed video understanding. To bridge these gaps, we release 2.8M human-labeled instances of fine-grained video question-answer pairs and spatio-temporally grounded video captions. Additionally, we introduce PLM-VideoBench, a suite for evaluating challenging video understanding tasks focusing on the ability to reason about "what", "where", "when", and "how" of a video. We make our work fully reproducible by providing data, training recipes, code & models. https://github.com/facebookresearch/perception_models
comment: Technical Report
♻ ☆ Quantifying artificial intelligence through algorithmic generalization
The rapid development of artificial intelligence (AI) systems has created an urgent need for their scientific quantification. While their fluency across a variety of domains is impressive, AI systems fall short on tests requiring algorithmic reasoning -- a glaring limitation given the necessity for interpretable and reliable technology. Despite a surge of reasoning benchmarks emerging from the academic community, no theoretical framework exists to quantify algorithmic reasoning in AI systems. Here, we adopt a framework from computational complexity theory to quantify algorithmic generalization using algebraic expressions: algebraic circuit complexity. Algebraic circuit complexity theory -- the study of algebraic expressions as circuit models -- is a natural framework to study the complexity of algorithmic computation. Algebraic circuit complexity enables the study of generalization by defining benchmarks in terms of the computational requirements to solve a problem. Moreover, algebraic circuits are generic mathematical objects; an arbitrarily large number of samples can be generated for a specified circuit, making it an ideal experimental sandbox for the data-hungry models that are used today. In this Perspective, we adopt tools from algebraic circuit complexity, apply them to formalize a science of algorithmic generalization, and address key challenges for its successful application to AI science.
♻ ☆ ALTA: Compiler-Based Analysis of Transformers
We propose a new programming language called ALTA and a compiler that can map ALTA programs to Transformer weights. ALTA is inspired by RASP, a language proposed by Weiss et al. (2021), and Tracr (Lindner et al., 2023), a compiler from RASP programs to Transformer weights. ALTA complements and extends this prior work, offering the ability to express loops and to compile programs to Universal Transformers, among other advantages. ALTA allows us to constructively show how Transformers can represent length-invariant algorithms for computing parity and addition, as well as a solution to the SCAN benchmark of compositional generalization tasks, without requiring intermediate scratchpad decoding steps. We also propose tools to analyze cases where the expressibility of an algorithm is established, but end-to-end training on a given training set fails to induce behavior consistent with the desired algorithm. To this end, we explore training from ALTA execution traces as a more fine-grained supervision signal. This enables additional experiments and theoretical analyses relating the learnability of various algorithms to data availability and modeling decisions, such as positional encodings. We make the ALTA framework -- language specification, symbolic interpreter, and weight compiler -- available to the community to enable further applications and insights.
comment: TMLR 2025
♻ ☆ Breaking the Compression Ceiling: Data-Free Pipeline for Ultra-Efficient Delta Compression
With the rise of the fine-tuned--pretrained paradigm, storing numerous fine-tuned models for multi-tasking creates significant storage overhead. Delta compression alleviates this by storing only the pretrained model and the highly compressed delta weights (the differences between fine-tuned and pretrained model weights). However, existing methods fail to maintain both high compression and performance, and often rely on data. To address these challenges, we propose UltraDelta, the first data-free delta compression pipeline that achieves both ultra-high compression and strong performance. UltraDelta is designed to minimize redundancy, maximize information, and stabilize performance across inter-layer, intra-layer, and global dimensions, using three key components: (1) Variance-Based Mixed Sparsity Allocation assigns sparsity based on variance, giving lower sparsity to high-variance layers to preserve inter-layer information. (2) Distribution-Aware Compression applies uniform quantization and then groups parameters by value, followed by group-wise pruning, to better preserve intra-layer distribution. (3) Trace-Norm-Guided Rescaling uses the trace norm of delta weights to estimate a global rescaling factor, improving model stability under higher compression. Extensive experiments across (a) large language models (fine-tuned on LLaMA-2 7B and 13B) with up to 133x, (b) general NLP models (RoBERTa-base, T5-base) with up to 800x, (c) vision models (ViT-B/32, ViT-L/14) with up to 400x, and (d) multi-modal models (BEiT-3) with 40x compression ratio, demonstrate that UltraDelta consistently outperforms existing methods, especially under ultra-high compression.
♻ ☆ Patch-based learning of adaptive Total Variation parameter maps for blind image denoising
We consider a patch-based learning approach defined in terms of neural networks to estimate spatially adaptive regularisation parameter maps for image denoising with weighted Total Variation (TV) and test it to situations when the noise distribution is unknown. As an example, we consider situations where noise could be either Gaussian or Poisson and perform preliminary model selection by a standard binary classification network. Then, we define a patch-based approach where at each image pixel an optimal weighting between TV regularisation and the corresponding data fidelity is learned in a supervised way using reference natural image patches upon optimisation of SSIM and in a sliding window fashion. Extensive numerical results are reported for both noise models, showing significant improvement w.r.t. results obtained by means of optimal scalar regularisation.
♻ ☆ Hopfield-Fenchel-Young Networks: A Unified Framework for Associative Memory Retrieval
Associative memory models, such as Hopfield networks and their modern variants, have garnered renewed interest due to advancements in memory capacity and connections with self-attention in transformers. In this work, we introduce a unified framework-Hopfield-Fenchel-Young networks-which generalizes these models to a broader family of energy functions. Our energies are formulated as the difference between two Fenchel-Young losses: one, parameterized by a generalized entropy, defines the Hopfield scoring mechanism, while the other applies a post-transformation to the Hopfield output. By utilizing Tsallis and norm entropies, we derive end-to-end differentiable update rules that enable sparse transformations, uncovering new connections between loss margins, sparsity, and exact retrieval of single memory patterns. We further extend this framework to structured Hopfield networks using the SparseMAP transformation, allowing the retrieval of pattern associations rather than a single pattern. Our framework unifies and extends traditional and modern Hopfield networks and provides an energy minimization perspective for widely used post-transformations like $\ell_2$-normalization and layer normalization-all through suitable choices of Fenchel-Young losses and by using convex analysis as a building block. Finally, we validate our Hopfield-Fenchel-Young networks on diverse memory recall tasks, including free and sequential recall. Experiments on simulated data, image retrieval, multiple instance learning, and text rationalization demonstrate the effectiveness of our approach.
comment: 49 pages, 14 figures. arXiv admin note: text overlap with arXiv:2402.13725
♻ ☆ Celo: Training Versatile Learned Optimizers on a Compute Diet
Learned optimization has emerged as a promising alternative to hand-crafted optimizers, with the potential to discover stronger learned update rules that enable faster, hyperparameter-free training of neural networks. A critical element for practically useful learned optimizers, that can be used off-the-shelf after meta-training, is strong meta-generalization: the ability to apply the optimizers to new tasks. Recent state-of-the-art work in learned optimizers, VeLO (Metz et al., 2022), requires a large number of highly diverse meta-training tasks along with massive computational resources, 4000 TPU months, to achieve meta-generalization. This makes further improvements to such learned optimizers impractical. In this work, we identify several key elements in learned optimizer architectures and meta-training procedures that can lead to strong meta-generalization. We also propose evaluation metrics to reliably assess quantitative performance of an optimizer at scale on a set of evaluation tasks. Our proposed approach, Celo, makes a significant leap in improving the meta-generalization performance of learned optimizers and also outperforms tuned state-of-the-art optimizers on a diverse set of out-of-distribution tasks, despite being meta-trained for just 24 GPU hours.
♻ ☆ WebXAII: an open-source web framework to study human-XAI interaction
This article introduces WebXAII, an open-source web framework designed to facilitate research on human interaction with eXplainable Artificial Intelligence (XAI) systems. The field of XAI is rapidly expanding, driven by the growing societal implications of the widespread adoption of AI (and in particular machine learning) across diverse applications. Researchers who study the interaction between humans and XAI techniques typically develop ad hoc interfaces in order to conduct their studies. These interfaces are usually not shared alongside the results of the studies, which limits their reusability and the reproducibility of experiments. In response, we design and implement WebXAII, a web-based platform that can embody full experimental protocols, meaning that it can present all aspects of the experiment to human participants and record their responses. The experimental protocols are translated into a composite architecture of generic views and modules, which offers a lot of flexibility. The architecture is defined in a structured configuration file, so that protocols can be implemented with minimal programming skills. We demonstrate that WebXAII can effectively embody relevant protocols, by reproducing the protocol of a state-of-the-art study of the literature.
♻ ☆ Variance-Based Defense Against Blended Backdoor Attacks KDD 2025
Backdoor attacks represent a subtle yet effective class of cyberattacks targeting AI models, primarily due to their stealthy nature. The model behaves normally on clean data but exhibits malicious behavior only when the attacker embeds a specific trigger into the input. This attack is performed during the training phase, where the adversary corrupts a small subset of the training data by embedding a pattern and modifying the labels to a chosen target. The objective is to make the model associate the pattern with the target label while maintaining normal performance on unaltered data. Several defense mechanisms have been proposed to sanitize training data-sets. However, these methods often rely on the availability of a clean dataset to compute statistical anomalies, which may not always be feasible in real-world scenarios where datasets can be unavailable or compromised. To address this limitation, we propose a novel defense method that trains a model on the given dataset, detects poisoned classes, and extracts the critical part of the attack trigger before identifying the poisoned instances. This approach enhances explainability by explicitly revealing the harmful part of the trigger. The effectiveness of our method is demonstrated through experimental evaluations on well-known image datasets and comparative analysis against three state-of-the-art algorithms: SCAn, ABL, and AGPD.
comment: This paper has been accepted at ECML PKDD 2025
♻ ☆ Adaptive Experimental Design for Policy Learning
This study investigates the contextual best arm identification (BAI) problem, aiming to design an adaptive experiment to identify the best treatment arm conditioned on contextual information (covariates). We consider a decision-maker who assigns treatment arms to experimental units during an experiment and recommends the estimated best treatment arm based on the contexts at the end of the experiment. The decision-maker uses a policy for recommendations, which is a function that provides the estimated best treatment arm given the contexts. In our evaluation, we focus on the worst-case expected regret, a relative measure between the expected outcomes of an optimal policy and our proposed policy. We derive a lower bound for the expected simple regret and then propose a strategy called Adaptive Sampling-Policy Learning (PLAS). We prove that this strategy is minimax rate-optimal in the sense that its leading factor in the regret upper bound matches the lower bound as the number of experimental units increases.
comment: arXiv admin note: text overlap with arXiv:2302.02988
♻ ☆ Quantum-Informed Contrastive Learning with Dynamic Mixup Augmentation for Class-Imbalanced Expert Systems
Expert systems often operate in domains characterized by class-imbalanced tabular data, where detecting rare but critical instances is essential for safety and reliability. While conventional approaches, such as cost-sensitive learning, oversampling, and graph neural networks, provide partial solutions, they suffer from drawbacks like overfitting, label noise, and poor generalization in low-density regions. To address these challenges, we propose QCL-MixNet, a novel Quantum-Informed Contrastive Learning framework augmented with k-nearest neighbor (kNN) guided dynamic mixup for robust classification under imbalance. QCL-MixNet integrates three core innovations: (i) a Quantum Entanglement-inspired layer that models complex feature interactions through sinusoidal transformations and gated attention, (ii) a sample-aware mixup strategy that adaptively interpolates feature representations of semantically similar instances to enhance minority class representation, and (iii) a hybrid loss function that unifies focal reweighting, supervised contrastive learning, triplet margin loss, and variance regularization to improve both intra-class compactness and inter-class separability. Extensive experiments on 18 real-world imbalanced datasets (binary and multi-class) demonstrate that QCL-MixNet consistently outperforms 20 state-of-the-art machine learning, deep learning, and GNN-based baselines in macro-F1 and recall, often by substantial margins. Ablation studies further validate the critical role of each architectural component. Our results establish QCL-MixNet as a new benchmark for tabular imbalance handling in expert systems. Theoretical analyses reinforce its expressiveness, generalization, and optimization robustness.
♻ ☆ Sustainable Greenhouse Microclimate Modeling: A Comparative Analysis of Recurrent and Graph Neural Networks
The integration of photovoltaic (PV) systems into greenhouses not only optimizes land use but also enhances sustainable agricultural practices by enabling dual benefits of food production and renewable energy generation. However, accurate prediction of internal environmental conditions is crucial to ensure optimal crop growth while maximizing energy production. This study introduces a novel application of Spatio-Temporal Graph Neural Networks (STGNNs) to greenhouse microclimate modeling, comparing their performance with traditional Recurrent Neural Networks (RNNs). While RNNs excel at temporal pattern recognition, they cannot explicitly model the directional relationships between environmental variables. Our STGNN approach addresses this limitation by representing these relationships as directed graphs, enabling the model to capture both environmental dependencies and their directionality. We benchmark RNNs against directed STGNNs on two 15-min-resolution datasets from Volos (Greece): a six-variable 2020 installation and a more complex eight-variable greenhouse monitored in autumn 2024. In the simpler 2020 case the RNN attains near-perfect accuracy, outperforming the STGNN. When additional drivers are available in 2024, the STGNN overtakes the RNN ($R^{2}=0.905$ vs $0.740$), demonstrating that explicitly modelling directional dependencies becomes critical as interaction complexity grows. These findings indicate when graph-based models are warranted and provide a stepping-stone toward digital twins that jointly optimise crop yield and PV power in agrivoltaic greenhouses.
♻ ☆ Incentivize Contribution and Learn Parameters Too: Federated Learning with Strategic Data Owners
Classical federated learning (FL) assumes that the clients have a limited amount of noisy data with which they voluntarily participate and contribute towards learning a global, more accurate model in a principled manner. The learning happens in a distributed fashion without sharing the data with the center. However, these methods do not consider the incentive of an agent for participating and contributing to the process, given that data collection and running a distributed algorithm is costly for the clients. The question of rationality of contribution has been asked recently in the literature and some results exist that consider this problem. This paper addresses the question of simultaneous parameter learning and incentivizing contribution, which distinguishes it from the extant literature. Our first mechanism incentivizes each client to contribute to the FL process at a Nash equilibrium and simultaneously learn the model parameters. However, this equilibrium outcome can be away from the optimal, where clients contribute with their full data and the algorithm learns the optimal parameters. We propose a second mechanism with monetary transfers that is budget balanced and enables the full data contribution along with optimal parameter learning. Large scale experiments with real (federated) datasets (CIFAR-10, FeMNIST, and Twitter) show that these algorithms converge quite fast in practice, yield good welfare guarantees, and better model performance for all agents.
comment: 19 pages, 12 figures, under review
♻ ☆ SimBank: from Simulation to Solution in Prescriptive Process Monitoring
Prescriptive Process Monitoring (PresPM) is an emerging area within Process Mining, focused on optimizing processes through real-time interventions for effective decision-making. PresPM holds significant promise for organizations seeking enhanced operational performance. However, the current literature faces two key limitations: a lack of extensive comparisons between techniques and insufficient evaluation approaches. To address these gaps, we introduce SimBank: a simulator designed for accurate benchmarking of PresPM methods. Modeled after a bank's loan application process, SimBank enables extensive comparisons of both online and offline PresPM methods. It incorporates a variety of intervention optimization problems with differing levels of complexity and supports experiments on key causal machine learning challenges, such as assessing a method's robustness to confounding in data. SimBank additionally offers a comprehensive evaluation capability: for each test case, it can generate the true outcome under each intervention action, which is not possible using recorded datasets. The simulator incorporates parallel activities and loops, drawing from common logs to generate cases that closely resemble real-life process instances. Our proof of concept demonstrates SimBank's benchmarking capabilities through experiments with various PresPM methods across different interventions, highlighting its value as a publicly available simulator for advancing research and practice in PresPM.
♻ ☆ Efficient and Flexible Neural Network Training through Layer-wise Feedback Propagation
Gradient-based optimization has been a cornerstone of machine learning that enabled the vast advances of Artificial Intelligence (AI) development over the past decades. However, this type of optimization requires differentiation, and with recent evidence of the benefits of non-differentiable (e.g. neuromorphic) architectures over classical models w.r.t. efficiency, such constraints can become limiting in the future. We present Layer-wise Feedback Propagation (LFP), a novel training principle for neural network-like predictors that utilizes methods from the domain of explainability to decompose a reward to individual neurons based on their respective contributions. Leveraging these neuron-wise rewards, our method then implements a greedy approach reinforcing helpful parts of the network and weakening harmful ones. While having comparable computational complexity to gradient descent, LFP does not require gradient computation and generates sparse and thereby memory- and energy-efficient parameter updates and models. We establish the convergence of LFP theoretically and empirically, demonstrating its effectiveness on various models and datasets. Via two applications - neural network pruning and the approximation-free training of Spiking Neural Networks (SNNs) - we demonstrate that LFP combines increased efficiency in terms of computation and representation with flexibility w.r.t. choice of model architecture and objective function. Our code is available at https://github.com/leanderweber/layerwise-feedback-propagation.
♻ ☆ Neural Guided Diffusion Bridges
We propose a novel method for simulating conditioned diffusion processes (diffusion bridges) in Euclidean spaces. By training a neural network to approximate bridge dynamics, our approach eliminates the need for computationally intensive Markov Chain Monte Carlo (MCMC) methods or score modeling. Compared to existing methods, it offers greater robustness across various diffusion specifications and conditioning scenarios. This applies in particular to rare events and multimodal distributions, which pose challenges for score-learning- and MCMC-based approaches. We introduce a flexible variational family, partially specified by a neural network, for approximating the diffusion bridge path measure. Once trained, it enables efficient sampling of independent bridges at a cost comparable to sampling the unconditioned (forward) process.
♻ ☆ AlignDistil: Token-Level Language Model Alignment as Adaptive Policy Distillation ACL 2025
In modern large language models (LLMs), LLM alignment is of crucial importance and is typically achieved through methods such as reinforcement learning from human feedback (RLHF) and direct preference optimization (DPO). However, in most existing methods for LLM alignment, all tokens in the response are optimized using a sparse, response-level reward or preference annotation. The ignorance of token-level rewards may erroneously punish high-quality tokens or encourage low-quality tokens, resulting in suboptimal performance and slow convergence speed. To address this issue, we propose AlignDistil, an RLHF-equivalent distillation method for token-level reward optimization. Specifically, we introduce the reward learned by DPO into the RLHF objective and theoretically prove the equivalence between this objective and a token-level distillation process, where the teacher distribution linearly combines the logits from the DPO model and a reference model. On this basis, we further bridge the accuracy gap between the reward from the DPO model and the pure reward model, by building a contrastive DPO reward with a normal and a reverse DPO model. Moreover, to avoid under- and over-optimization on different tokens, we design a token adaptive logit extrapolation mechanism to construct an appropriate teacher distribution for each token. Experimental results demonstrate the superiority of our AlignDistil over existing methods and showcase fast convergence due to its token-level distributional reward optimization.
comment: ACL 2025 Main Conference, code available at: https://github.com/songmzhang/AlignDistil
♻ ☆ LLM-Guided Indoor Navigation with Multimodal Map Understanding
Indoor navigation presents unique challenges due to complex layouts and the unavailability of GNSS signals. Existing solutions often struggle with contextual adaptation, and typically require dedicated hardware. In this work, we explore the potential of a Large Language Model (LLM), i.e., ChatGPT, to generate natural, context-aware navigation instructions from indoor map images. We design and evaluate test cases across different real-world environments, analyzing the effectiveness of LLMs in interpreting spatial layouts, handling user constraints, and planning efficient routes. Our findings demonstrate the potential of LLMs for supporting personalized indoor navigation, with an average of 86.59% correct indications and a maximum of 97.14%. The proposed system achieves high accuracy and reasoning performance. These results have key implications for AI-driven navigation and assistive technologies.
comment: 7 pages, 3 figures, 5 tables
♻ ☆ Harnessing omnipresent oscillator networks as computational resource
Nature is pervaded with oscillatory dynamics. In networks of coupled oscillators patterns can arise when the system synchronizes to an external input. Hence, these networks provide processing and memory of input. We present a universal framework for harnessing oscillator networks as computational resource. This computing framework is introduced by the ubiquitous model for phase-locking, the Kuramoto model. We force the Kuramoto model by a nonlinear target-system, then after substituting the target-system with a trained feedback-loop it emulates the target-system. Our results are two-fold. Firstly, the trained network inherits performance properties of the Kuramoto model, where all-to-all coupling is performed in linear time with respect to the number of nodes and parameters for synchronization are abundant. The latter implies that the network is generically successful since the system learns via sychronization. Secondly, the learning capabilities of the oscillator network, which describe a type of collective intelligence, can be explained using Kuramoto model's order parameter. In summary, this work provides the foundation for utilizing nature's oscillator networks as a new class of information processing systems.
♻ ☆ The Exploration of Error Bounds in Classification with Noisy Labels
Numerous studies have shown that label noise can lead to poor generalization performance, negatively affecting classification accuracy. Therefore, understanding the effectiveness of classifiers trained using deep neural networks in the presence of noisy labels is of considerable practical significance. In this paper, we focus on the error bounds of excess risks for classification problems with noisy labels within deep learning frameworks. We derive error bounds for the excess risk, decomposing it into statistical error and approximation error. To handle statistical dependencies (e.g., mixing sequences), we employ an independent block construction to bound the error, leveraging techniques for dependent processes. For the approximation error, we establish these theoretical results to the vector-valued setting, where the output space consists of $K$-dimensional unit vectors. Finally, under the low-dimensional manifold hypothesis, we further refine the approximation error to mitigate the impact of high-dimensional input spaces.
comment: 21 pages
♻ ☆ Serving Large Language Models on Huawei CloudMatrix384
The rapid evolution of large language models (LLMs), driven by growing parameter scales, adoption of mixture-of-experts (MoE) architectures, and expanding context lengths, imposes unprecedented demands on AI infrastructure. Traditional AI clusters face limitations in compute intensity, memory bandwidth, inter-chip communication, and latency, compounded by variable workloads and strict service-level objectives. Addressing these issues requires fundamentally redesigned hardware-software integration. This paper introduces Huawei CloudMatrix, a next-generation AI datacenter architecture, realized in the production-grade CloudMatrix384 supernode. It integrates 384 Ascend 910 NPUs and 192 Kunpeng CPUs interconnected via an ultra-high-bandwidth Unified Bus (UB) network, enabling direct all-to-all communication and dynamic pooling of resources. These features optimize performance for communication-intensive operations, such as large-scale MoE expert parallelism and distributed key-value cache access. To fully leverage CloudMatrix384, we propose CloudMatrix-Infer, an advanced LLM serving solution incorporating three core innovations: a peer-to-peer serving architecture that independently scales prefill, decode, and caching; a large-scale expert parallelism strategy supporting EP320 via efficient UB-based token dispatch; and hardware-aware optimizations including specialized operators, microbatch-based pipelining, and INT8 quantization. Evaluation with the DeepSeek-R1 model shows CloudMatrix-Infer achieves state-of-the-art efficiency: prefill throughput of 6,688 tokens/s per NPU and decode throughput of 1,943 tokens/s per NPU (<50 ms TPOT). It effectively balances throughput and latency, sustaining 538 tokens/s per NPU even under stringent 15 ms latency constraints, while INT8 quantization maintains model accuracy across benchmarks.
comment: 59 pages, 24 figures
♻ ☆ Guaranteed prediction sets for functional surrogate models
We propose a method for obtaining statistically guaranteed prediction sets for functional machine learning methods: surrogate models which map between function spaces, motivated by the need to build reliable PDE emulators. The method constructs nested prediction sets on a low-dimensional representation (an SVD) of the surrogate model's error, and then maps these sets to the prediction space using set-propagation techniques. This results in prediction sets for functional surrogate models with conformal prediction coverage guarantees. We use zonotopes as basis of the set construction, which allow an exact linear propagation and are closed under Cartesian products, making them well-suited to this high-dimensional problem. The method is model agnostic and can thus be applied to complex Sci-ML models, including Neural Operators, but also in simpler settings. We also introduce a technique to capture the truncation error of the SVD, preserving the guarantees of the method.
♻ ☆ Uniform Mean Estimation for Heavy-Tailed Distributions via Median-of-Means
The Median of Means (MoM) is a mean estimator that has gained popularity in the context of heavy-tailed data. In this work, we analyze its performance in the task of simultaneously estimating the mean of each function in a class $\mathcal{F}$ when the data distribution possesses only the first $p$ moments for $p \in (1,2]$. We prove a new sample complexity bound using a novel symmetrization technique that may be of independent interest. Additionally, we present applications of our result to $k$-means clustering with unbounded inputs and linear regression with general losses, improving upon existing works.
♻ ☆ Interventions Against Machine-Assisted Statistical Discrimination
I study statistical discrimination driven by verifiable beliefs, such as those generated by machine learning, rather than by humans. When beliefs are verifiable, interventions against statistical discrimination can move beyond simple, belief-free designs like affirmative action, to more sophisticated ones, that constrain decision makers based on what they are thinking. I design a belief-contingent intervention I call common identity. I show that it is effective at eliminating equilibrium statistical discrimination, even when training data exhibit the various statistical biases that often plague algorithmic decision problems.
♻ ☆ Multi-Preference Optimization: Generalizing DPO via Set-Level Contrasts
Direct Preference Optimization (DPO) has become a popular approach for aligning language models using pairwise preferences. However, in practical post-training pipelines, on-policy generation typically yields multiple candidate responses per prompt, which are scored by a reward model to guide learning. In this setting, we propose $\textbf{Multi-Preference Optimization (MPO)}$, a generalization of DPO that optimizes over entire sets of responses by extending the Bradley-Terry model to groupwise comparisons between chosen and rejected sets. To further enhance learning, MPO employs deviation-based weighting, which emphasizes outlier responses that deviate most from the mean reward, effectively inducing a self-paced curriculum. We theoretically prove that MPO reduces alignment bias at a rate of $\mathcal{O}\left(\frac{1}{\sqrt{n}}\right)$ with respect to the number of responses per query. Empirically, MPO achieves state-of-the-art performance on the UltraFeedback benchmark and yields up to $\sim 17.5\%$ improvement over the state-of-the-art baseline in length-controlled win rate on AlpacaEval2, establishing a new baseline for preference-based alignment
♻ ☆ Learning Dynamics in Continual Pre-Training for Large Language Models ICML2025
Continual Pre-Training (CPT) has become a popular and effective method to apply strong foundation models to specific downstream tasks. In this work, we explore the learning dynamics throughout the CPT process for large language models. We specifically focus on how general and downstream domain performance evolves at each training step, with domain performance measured via validation losses. We have observed that the CPT loss curve fundamentally characterizes the transition from one curve to another hidden curve, and could be described by decoupling the effects of distribution shift and learning rate annealing. We derive a CPT scaling law that combines the two factors, enabling the prediction of loss at any (continual) training steps and across learning rate schedules (LRS) in CPT. Our formulation presents a comprehensive understanding of several critical factors in CPT, including loss potential, peak learning rate, training steps, replay ratio, etc. Moreover, our approach can be adapted to customize training hyper-parameters to different CPT goals such as balancing general and domain-specific performance. Extensive experiments demonstrate that our scaling law holds across various CPT datasets and training hyper-parameters.
comment: Accepted to ICML2025 (Oral)
♻ ☆ Federated Learning for MRI-based BrainAGE: a multicenter study on post-stroke functional outcome prediction
$\textbf{Objective:}$ Brain-predicted age difference (BrainAGE) is a neuroimaging biomarker reflecting brain health. However, training robust BrainAGE models requires large datasets, often restricted by privacy concerns. This study evaluates the performance of federated learning (FL) for BrainAGE estimation in ischemic stroke patients treated with mechanical thrombectomy, and investigates its association with clinical phenotypes and functional outcomes. $\textbf{Methods:}$ We used FLAIR brain images from 1674 stroke patients across 16 hospital centers. We implemented standard machine learning and deep learning models for BrainAGE estimates under three data management strategies: centralized learning (pooled data), FL (local training at each site), and single-site learning. We reported prediction errors and examined associations between BrainAGE and vascular risk factors (e.g., diabetes mellitus, hypertension, smoking), as well as functional outcomes at three months post-stroke. Logistic regression evaluated BrainAGE's predictive value for these outcomes, adjusting for age, sex, vascular risk factors, stroke severity, time between MRI and arterial puncture, prior intravenous thrombolysis, and recanalisation outcome. $\textbf{Results:}$ While centralized learning yielded the most accurate predictions, FL consistently outperformed single-site models. BrainAGE was significantly higher in patients with diabetes mellitus across all models. Comparisons between patients with good and poor functional outcomes, and multivariate predictions of these outcomes showed the significance of the association between BrainAGE and post-stroke recovery. $\textbf{Conclusion:}$ FL enables accurate age predictions without data centralization. The strong association between BrainAGE, vascular risk factors, and post-stroke recovery highlights its potential for prognostic modeling in stroke care.
♻ ☆ Hierarchical Multi-Positive Contrastive Learning for Patent Image Retrieval
Patent images are technical drawings that convey information about a patent's innovation. Patent image retrieval systems aim to search in vast collections and retrieve the most relevant images. Despite recent advances in information retrieval, patent images still pose significant challenges due to their technical intricacies and complex semantic information, requiring efficient fine-tuning for domain adaptation. Current methods neglect patents' hierarchical relationships, such as those defined by the Locarno International Classification (LIC) system, which groups broad categories (e.g., "furnishing") into subclasses (e.g., "seats" and "beds") and further into specific patent designs. In this work, we introduce a hierarchical multi-positive contrastive loss that leverages the LIC's taxonomy to induce such relations in the retrieval process. Our approach assigns multiple positive pairs to each patent image within a batch, with varying similarity scores based on the hierarchical taxonomy. Our experimental analysis with various vision and multimodal models on the DeepPatent2 dataset shows that the proposed method enhances the retrieval results. Notably, our method is effective with low-parameter models, which require fewer computational resources and can be deployed on environments with limited hardware.
comment: 5 pages, 3 figures, Accepted as a short paper at the 6th Workshop on Patent Text Mining and Semantic Technologies (PatentSemTech 2025), co-located with SIGIR 2025
♻ ☆ Robust Hallucination Detection in LLMs via Adaptive Token Selection
Hallucinations in large language models (LLMs) pose significant safety concerns that impede their broader deployment. Recent research in hallucination detection has demonstrated that LLMs' internal representations contain truthfulness hints, which can be harnessed for detector training. However, the performance of these detectors is heavily dependent on the internal representations of predetermined tokens, fluctuating considerably when working on free-form generations with varying lengths and sparse distributions of hallucinated entities. To address this, we propose HaMI, a novel approach that enables robust detection of hallucinations through adaptive selection and learning of critical tokens that are most indicative of hallucinations. We achieve this robustness by an innovative formulation of the Hallucination detection task as Multiple Instance (HaMI) learning over token-level representations within a sequence, thereby facilitating a joint optimisation of token selection and hallucination detection on generation sequences of diverse forms. Comprehensive experimental results on four hallucination benchmarks show that HaMI significantly outperforms existing state-of-the-art approaches.
♻ ☆ Sheaf Hypergraph Networks NeurIPS 2023
Higher-order relations are widespread in nature, with numerous phenomena involving complex interactions that extend beyond simple pairwise connections. As a result, advancements in higher-order processing can accelerate the growth of various fields requiring structured data. Current approaches typically represent these interactions using hypergraphs. We enhance this representation by introducing cellular sheaves for hypergraphs, a mathematical construction that adds extra structure to the conventional hypergraph while maintaining their local, higherorder connectivity. Drawing inspiration from existing Laplacians in the literature, we develop two unique formulations of sheaf hypergraph Laplacians: linear and non-linear. Our theoretical analysis demonstrates that incorporating sheaves into the hypergraph Laplacian provides a more expressive inductive bias than standard hypergraph diffusion, creating a powerful instrument for effectively modelling complex data structures. We employ these sheaf hypergraph Laplacians to design two categories of models: Sheaf Hypergraph Neural Networks and Sheaf Hypergraph Convolutional Networks. These models generalize classical Hypergraph Networks often found in the literature. Through extensive experimentation, we show that this generalization significantly improves performance, achieving top results on multiple benchmark datasets for hypergraph node classification.
comment: Accepted at Neural Information Processing Systems (NeurIPS 2023)
♻ ☆ Representation Learning with Mutual Influence of Modalities for Node Classification in Multi-Modal Heterogeneous Networks
Nowadays, numerous online platforms can be described as multi-modal heterogeneous networks (MMHNs), such as Douban's movie networks and Amazon's product review networks. Accurately categorizing nodes within these networks is crucial for analyzing the corresponding entities, which requires effective representation learning on nodes. However, existing multi-modal fusion methods often adopt either early fusion strategies which may lose the unique characteristics of individual modalities, or late fusion approaches overlooking the cross-modal guidance in GNN-based information propagation. In this paper, we propose a novel model for node classification in MMHNs, named Heterogeneous Graph Neural Network with Inter-Modal Attention (HGNN-IMA). It learns node representations by capturing the mutual influence of multiple modalities during the information propagation process, within the framework of heterogeneous graph transformer. Specifically, a nested inter-modal attention mechanism is integrated into the inter-node attention to achieve adaptive multi-modal fusion, and modality alignment is also taken into account to encourage the propagation among nodes with consistent similarities across all modalities. Moreover, an attention loss is augmented to mitigate the impact of missing modalities. Extensive experiments validate the superiority of the model in the node classification task, providing an innovative view to handle multi-modal data, especially when accompanied with network structures.
♻ ☆ Performance of Rank-One Tensor Approximation on Incomplete Data
We are interested in the estimation of a rank-one tensor signal when only a portion $\varepsilon$ of its noisy observation is available. We show that the study of this problem can be reduced to that of a random matrix model whose spectral analysis gives access to the reconstruction performance. These results shed light on and specify the loss of performance induced by an artificial reduction of the memory cost of a tensor via the deletion of a random part of its entries.
♻ ☆ Return-Aligned Decision Transformer
Traditional approaches in offline reinforcement learning aim to learn the optimal policy that maximizes the cumulative reward, also known as return. It is increasingly important to adjust the performance of AI agents to meet human requirements, for example, in applications like video games and education tools. Decision Transformer (DT) optimizes a policy that generates actions conditioned on the target return through supervised learning and includes a mechanism to control the agent's performance using the target return. However, the action generation is hardly influenced by the target return because DT's self-attention allocates scarce attention scores to the return tokens. In this paper, we propose Return-Aligned Decision Transformer (RADT), designed to more effectively align the actual return with the target return. RADT leverages features extracted by paying attention solely to the return, enabling action generation to consistently depend on the target return. Extensive experiments show that RADT significantly reduces the discrepancies between the actual return and the target return compared to DT-based methods. Our code is available at https://github.com/CyberAgentAILab/radt
♻ ☆ DeltaProduct: Improving State-Tracking in Linear RNNs via Householder Products
Linear Recurrent Neural Networks (linear RNNs) have emerged as competitive alternatives to Transformers for sequence modeling, offering efficient training and linear-time inference. However, existing architectures face a fundamental trade-off between expressivity and efficiency, dictated by the structure of their state-transition matrices. Diagonal matrices, used in models such as Mamba, GLA, or mLSTM, yield fast runtime but have limited expressivity. To address this, recent architectures such as DeltaNet and RWKV-7 adopted a diagonal plus rank-1 structure, which allows simultaneous token and channel mixing, improving associative recall and, as recently shown, state-tracking when allowing negative eigenvalues in the state-transition matrices. Building on the interpretation of DeltaNet's recurrence as performing one step of online gradient descent per token on an associative recall loss, we introduce DeltaProduct, which instead takes multiple ($n_h$) steps per token. This naturally leads to diagonal plus rank-$n_h$ state-transition matrices, formed as products of $n_h$ generalized Householder transformations, providing a tunable mechanism to balance expressivity and efficiency. We provide a detailed theoretical characterization of the state-tracking capability of DeltaProduct in finite precision, showing how it improves by increasing $n_h$. Our extensive experiments demonstrate that DeltaProduct outperforms DeltaNet in both state-tracking and language modeling, while also showing significantly improved length extrapolation capabilities.
comment: v5: Characterization of DeltaProduct's state-tracking ability. Analysis of hidden state's effective rank. Improved scaling analysis. v6: Added analysis for products of RWKV-7 matrices
♻ ☆ Deep learning joint extremes of metocean variables using the SPAR model
This paper presents a novel deep learning framework for estimating multivariate joint extremes of metocean variables, based on the Semi-Parametric Angular-Radial (SPAR) model. When considered in polar coordinates, the problem of modelling multivariate extremes is transformed to one of modelling an angular density, and the tail of a univariate radial variable conditioned on angle. In the SPAR approach, the tail of the radial variable is modelled using a generalised Pareto (GP) distribution, providing a natural extension of univariate extreme value theory to the multivariate setting. In this work, we show how the method can be applied in higher dimensions, using a case study for five metocean variables: wind speed, wind direction, wave height, wave period, and wave direction. The angular variable is modelled using a kernel density method, while the parameters of the GP model are approximated using fully-connected deep neural networks. Our approach provides great flexibility in the dependence structures that can be represented, together with computationally efficient routines for training the model. Furthermore, the application of the method requires fewer assumptions about the underlying distribution(s) compared to existing approaches, and an asymptotically justified means for extrapolating outside the range of observations. Using various diagnostic plots, we show that the fitted models provide a good description of the joint extremes of the metocean variables considered.
♻ ☆ ReinFlow: Fine-tuning Flow Matching Policy with Online Reinforcement Learning
We propose ReinFlow, a simple yet effective online reinforcement learning (RL) framework that fine-tunes a family of flow matching policies for continuous robotic control. Derived from rigorous RL theory, ReinFlow injects learnable noise into a flow policy's deterministic path, converting the flow into a discrete-time Markov Process for exact and straightforward likelihood computation. This conversion facilitates exploration and ensures training stability, enabling ReinFlow to fine-tune diverse flow model variants, including Rectified Flow [35] and Shortcut Models [19], particularly at very few or even one denoising step. We benchmark ReinFlow in representative locomotion and manipulation tasks, including long-horizon planning with visual input and sparse reward. The episode reward of Rectified Flow policies obtained an average net growth of 135.36% after fine-tuning in challenging legged locomotion tasks while saving denoising steps and 82.63% of wall time compared to state-of-the-art diffusion RL fine-tuning method DPPO [43]. The success rate of the Shortcut Model policies in state and visual manipulation tasks achieved an average net increase of 40.34% after fine-tuning with ReinFlow at four or even one denoising step, whose performance is comparable to fine-tuned DDIM policies while saving computation time for an average of 23.20%. Project webpage: https://reinflow.github.io/
comment: 31 pages, 13 figures, 10 tables
♻ ☆ Flow Matching: Markov Kernels, Stochastic Processes and Transport Plans
Among generative neural models, flow matching techniques stand out for their simple applicability and good scaling properties. Here, velocity fields of curves connecting a simple latent and a target distribution are learned. Then the corresponding ordinary differential equation can be used to sample from a target distribution, starting in samples from the latent one. This paper reviews from a mathematical point of view different techniques to learn the velocity fields of absolutely continuous curves in the Wasserstein geometry. We show how the velocity fields can be characterized and learned via i) transport plans (couplings) between latent and target distributions, ii) Markov kernels and iii) stochastic processes, where the latter two include the coupling approach, but are in general broader. Besides this main goal, we show how flow matching can be used for solving Bayesian inverse problems, where the definition of conditional Wasserstein distances plays a central role. Finally, we briefly address continuous normalizing flows and score matching techniques, which approach the learning of velocity fields of curves from other directions.
♻ ☆ Semantic-Aware Spectrum Sharing in Internet of Vehicles Based on Deep Reinforcement Learning
This work aims to investigate semantic communication in high-speed mobile Internet of vehicles (IoV) environments, with a focus on the spectrum sharing between vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) communications. We specifically address spectrum scarcity and network traffic and then propose a semantic-aware spectrum sharing algorithm (SSS) based on the deep reinforcement learning (DRL) soft actor-critic (SAC) approach. Firstly, we delve into the extraction of semantic information. Secondly, we redefine metrics for semantic information in V2V and V2I spectrum sharing in IoV environments, introducing high-speed semantic spectrum efficiency (HSSE) and semantic transmission rate (HSR). Finally, we employ the SAC algorithm for decision optimization in V2V and V2I spectrum sharing based on semantic information. This optimization encompasses the optimal link of V2V and V2I sharing strategies, the transmission power for vehicles sending semantic information and the length of transmitted semantic symbols, aiming at maximizing HSSE of V2I and enhancing success rate of effective semantic information transmission (SRS) of V2V. Experimental results demonstrate that the SSS algorithm outperforms other baseline algorithms, including other traditional-communication-based spectrum sharing algorithms and spectrum sharing algorithm using other reinforcement learning approaches. The SSS algorithm exhibits a 15% increase in HSSE and approximately a 7% increase in SRS.
comment: This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at: https://github.com/qiongwu86/Semantic-Aware-Spectrum-Sharing-in-Internet-of-Vehicles-Based-on-Deep-Reinforcement-Learning
♻ ☆ Reconfigurable Intelligent Surface Assisted VEC Based on Multi-Agent Reinforcement Learning
Vehicular edge computing (VEC) is an emerging technology that enables vehicles to perform high-intensity tasks by executing tasks locally or offloading them to nearby edge devices. However, obstacles such as buildings may degrade the communications and incur communication interruptions, and thus the vehicle may not meet the requirement for task offloading. Reconfigurable intelligent surfaces (RIS) is introduced to support vehicle communication and provide an alternative communication path. The system performance can be improved by flexibly adjusting the phase-shift of the RIS. For RIS-assisted VEC system where tasks arrive randomly, we design a control scheme that considers offloading power, local power allocation and phase-shift optimization. To solve this non-convex problem, we propose a new deep reinforcement learning (DRL) framework that employs modified multi-agent deep deterministic policy gradient (MADDPG) approach to optimize the power allocation for vehicle users (VUs) and block coordinate descent (BCD) algorithm to optimize the phase-shift of the RIS. Simulation results show that our proposed scheme outperforms the centralized deep deterministic policy gradient (DDPG) scheme and random scheme.
comment: This paper has been accepted by IEEE communications letters. The source code has been released at: https://github.com/qiongwu86/RIS-VEC-MARL.git
♻ ☆ On the Limits of Language Generation: Trade-Offs Between Hallucination and Mode Collapse
Specifying all desirable properties of a language model is challenging, but certain requirements seem essential. Given samples from an unknown language, the trained model should produce valid strings not seen in training and be expressive enough to capture the language's full richness. Otherwise, outputting invalid strings constitutes "hallucination," and failing to capture the full range leads to "mode collapse." We ask if a language model can meet both requirements. We investigate this within a statistical language generation setting building on Gold and Angluin. Here, the model receives random samples from a distribution over an unknown language K, which belongs to a possibly infinite collection of languages. The goal is to generate unseen strings from K. We say the model generates from K with consistency and breadth if, as training size increases, its output converges to all unseen strings in K. Kleinberg and Mullainathan [KM24] asked if consistency and breadth in language generation are possible. We answer this negatively: for a large class of language models, including next-token prediction models, this is impossible for most collections of candidate languages. This contrasts with [KM24]'s result, showing consistent generation without breadth is possible for any countable collection of languages. Our finding highlights that generation with breadth fundamentally differs from generation without breadth. As a byproduct, we establish near-tight bounds on the number of samples needed for generation with or without breadth. Finally, our results offer hope: consistent generation with breadth is achievable for any countable collection of languages when negative examples (strings outside K) are available alongside positive ones. This suggests that post-training feedback, which encodes negative examples, can be crucial in reducing hallucinations while limiting mode collapse.
comment: Accepted for presentation at the 57th Symposium on Theory of Computing (STOC 2025)
♻ ☆ Deep-Reinforcement-Learning-Based AoI-Aware Resource Allocation for RIS-Aided IoV Networks
Reconfigurable Intelligent Surface (RIS) is a pivotal technology in communication, offering an alternative path that significantly enhances the link quality in wireless communication environments. In this paper, we propose a RIS-assisted internet of vehicles (IoV) network, considering the vehicle-to-everything (V2X) communication method. In addition, in order to improve the timeliness of vehicle-to-infrastructure (V2I) links and the stability of vehicle-to-vehicle (V2V) links, we introduce the age of information (AoI) model and the payload transmission probability model. Therefore, with the objective of minimizing the AoI of V2I links and prioritizing transmission of V2V links payload, we construct this optimization problem as an Markov decision process (MDP) problem in which the BS serves as an agent to allocate resources and control phase-shift for the vehicles using the soft actor-critic (SAC) algorithm, which gradually converges and maintains a high stability. A AoI-aware joint vehicular resource allocation and RIS phase-shift control scheme based on SAC algorithm is proposed and simulation results show that its convergence speed, cumulative reward, AoI performance, and payload transmission probability outperforms those of proximal policy optimization (PPO), deep deterministic policy gradient (DDPG), twin delayed deep deterministic policy gradient (TD3) and stochastic algorithms.
comment: This paper has been accepted by IEEE Transactions on Vehicular Technology. The source code has been released at https://github.com/qiongwu86/RIS-RB-AoI-V2X-DRL.git
♻ ☆ Temporal horizons in forecasting: a performance-learnability trade-off
When training autoregressive models to forecast dynamical systems, a critical question arises: how far into the future should the model be trained to predict? Too short a horizon may miss long-term trends, while too long a horizon can impede convergence due to accumulating prediction errors. In this work, we formalize this trade-off by analyzing how the geometry of the loss landscape depends on the training horizon. We prove that for chaotic systems, the loss landscape's roughness grows exponentially with the training horizon, while for limit cycles, it grows linearly, making long-horizon training inherently challenging. However, we also show that models trained on long horizons generalize well to short-term forecasts, whereas those trained on short horizons suffer exponentially (resp. linearly) worse long-term predictions in chaotic (resp. periodic) systems. We validate our theory through numerical experiments and discuss practical implications for selecting training horizons. Our results provide a principled foundation for hyperparameter optimization in autoregressive forecasting models.
comment: 33 pages, 12 figures
♻ ☆ Resource Allocation for Twin Maintenance and Computing Task Processing in Digital Twin Vehicular Edge Computing Network
As a promising technology, vehicular edge computing (VEC) can provide computing and caching services by deploying VEC servers near vehicles. However, VEC networks still face challenges such as high vehicle mobility. Digital twin (DT), an emerging technology, can predict, estimate, and analyze real-time states by digitally modeling objects in the physical world. By integrating DT with VEC, a virtual vehicle DT can be created in the VEC server to monitor the real-time operating status of vehicles. However, maintaining the vehicle DT model requires ongoing attention from the VEC server, which also needs to offer computing services for the vehicles. Therefore, effective allocation and scheduling of VEC server resources are crucial. This study focuses on a general VEC network with a single VEC service and multiple vehicles, examining the two types of delays caused by twin maintenance and computational processing within the network. By transforming the problem using satisfaction functions, we propose an optimization problem aimed at maximizing each vehicle's resource utility to determine the optimal resource allocation strategy. Given the non-convex nature of the issue, we employ multi-agent Markov decision processes to reformulate the problem. Subsequently, we propose the twin maintenance and computing task processing resource collaborative scheduling (MADRL-CSTC) algorithm, which leverages multi-agent deep reinforcement learning. Through experimental comparisons with alternative algorithms, it demonstrates that our proposed approach is effective in terms of resource allocation.
comment: This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at:https://github.com/qiongwu86/Resource-allocation-for-twin-maintenance-and-computing-tasks-in-digital-twin-mobile-edge-network
♻ ☆ Mobility-Aware Federated Self-supervised Learning in Vehicular Network
Federated Learning (FL) is an advanced distributed machine learning approach, that protects the privacy of each vehicle by allowing the model to be trained on multiple devices simultaneously without the need to upload all data to a road side unit (RSU). This enables FL to handle scenarios with sensitive or widely distributed data. However, in these fields, it is well known that the labeling costs can be a significant expense, and models relying on labels are not suitable for these rapidly evolving fields especially in vehicular networks, or mobile internet of things (MIoT), where new data emerges constantly. To handle this issue, the self-supervised learning paves the way for training without labels. Additionally, for vehicles with high velocity, owing to blurred images, simple aggregation not only impacts the accuracy of the aggregated model but also reduces the convergence speed of FL. This paper proposes a FL algorithm based on image blur level to aggregation, called FLSimCo, which does not require labels and serves as a pre-training stage for self-supervised learning in the vehicular environment. Simulation results demonstrate that the proposed algorithm exhibits fast and stable convergence.
comment: This paper has been accepted by urban lifeline. The source code has been released at: The source code has been released at: https://github.com/qiongwu86/FLSimCo
♻ ☆ HSTU-BLaIR: Lightweight Contrastive Text Embedding for Generative Recommender KDD 2025
Recent advances in recommender systems have underscored the complementary strengths of generative modeling and pretrained language models. We propose HSTU-BLaIR, a hybrid framework that augments the Hierarchical Sequential Transduction Unit (HSTU)-based generative recommender with BLaIR, a lightweight contrastive text embedding model. This integration enriches item representations with semantic signals from textual metadata while preserving HSTU's powerful sequence modeling capabilities. We evaluate HSTU-BLaIR on two e-commerce datasets: three subsets from the Amazon Reviews 2023 dataset and the Steam dataset. We compare its performance against both the original HSTU-based recommender and a variant augmented with embeddings from OpenAI's state-of-the-art \texttt{text-embedding-3-large} model. Despite the latter being trained on a substantially larger corpus with significantly more parameters, our lightweight BLaIR-enhanced approach -- pretrained on domain-specific data -- achieves better performance in nearly all cases. Specifically, HSTU-BLaIR outperforms the OpenAI embedding-based variant on all but one metric, where it is marginally lower, and matches it on another. These findings highlight the effectiveness of contrastive text embeddings in compute-efficient recommendation settings.
comment: Accepted at the Workshop on Large Language Models for E-Commerce, KDD 2025. Code available at https://www.github.com/snapfinger/HSTU-BLaIR
♻ ☆ Faster Stochastic Optimization with Arbitrary Delays via Asynchronous Mini-Batching
We consider the problem of asynchronous stochastic optimization, where an optimization algorithm makes updates based on stale stochastic gradients of the objective that are subject to an arbitrary (possibly adversarial) sequence of delays. We present a procedure which, for any given $q \in (0,1]$, transforms any standard stochastic first-order method to an asynchronous method with convergence guarantee depending on the $q$-quantile delay of the sequence. This approach leads to convergence rates of the form $O(\tau_q/qT+\sigma/\sqrt{qT})$ for non-convex and $O(\tau_q^2/(q T)^2+\sigma/\sqrt{qT})$ for convex smooth problems, where $\tau_q$ is the $q$-quantile delay, generalizing and improving on existing results that depend on the average delay. We further show a method that automatically adapts to all quantiles simultaneously, without any prior knowledge of the delays, achieving convergence rates of the form $O(\inf_{q} \tau_q/qT+\sigma/\sqrt{qT})$ for non-convex and $O(\inf_{q} \tau_q^2/(q T)^2+\sigma/\sqrt{qT})$ for convex smooth problems. Our technique is based on asynchronous mini-batching with a careful batch-size selection and filtering of stale gradients.
comment: 22 pages
♻ ☆ KCES: Training-Free Defense for Robust Graph Neural Networks via Kernel Complexity
Graph Neural Networks (GNNs) have achieved impressive success across a wide range of graph-based tasks, yet they remain highly vulnerable to small, imperceptible perturbations and adversarial attacks. Although numerous defense methods have been proposed to address these vulnerabilities, many rely on heuristic metrics, overfit to specific attack patterns, and suffer from high computational complexity. In this paper, we propose Kernel Complexity-Based Edge Sanitization (KCES), a training-free, model-agnostic defense framework. KCES leverages Graph Kernel Complexity (GKC), a novel metric derived from the graph's Gram matrix that characterizes GNN generalization via its test error bound. Building on GKC, we define a KC score for each edge, measuring the change in GKC when the edge is removed. Edges with high KC scores, typically introduced by adversarial perturbations, are pruned to mitigate their harmful effects, thereby enhancing GNNs' robustness. KCES can also be seamlessly integrated with existing defense strategies as a plug-and-play module without requiring training. Theoretical analysis and extensive experiments demonstrate that KCES consistently enhances GNN robustness, outperforms state-of-the-art baselines, and amplifies the effectiveness of existing defenses, offering a principled and efficient solution for securing GNNs.
♻ ☆ Provably Efficient Online RLHF with One-Pass Reward Modeling
Reinforcement Learning from Human Feedback (RLHF) has shown remarkable success in aligning Large Language Models (LLMs) with human preferences. Traditional RLHF approaches rely on a fixed dataset, which often suffers from limited coverage. To this end, online RLHF has emerged as a promising direction, enabling iterative data collection and model improvement. Despite its potential, this paradigm faces a key bottleneck: the requirement to continuously integrate new data into the historical dataset and re-optimize the model from scratch at each iteration, resulting in computational and storage costs that grow linearly with the number of iterations. In this work, we address this challenge by proposing a one-pass reward modeling method that does not require storing the historical data and can be computed in constant time. Specifically, we first formalize RLHF as a contextual preference bandit problem and design an online mirror descent algorithm with a tailored local norm to replace the standard maximum likelihood estimation for reward modeling. We then apply our method to various online RLHF settings, including passive data collection, active data collection, and deployment-time adaptation. We provide theoretical guarantees showing that our method improves both statistical and computational efficiency. Finally, we provide practical algorithms and conduct experiments using Llama-3-8B-Instruct and Qwen2.5-7B-Instruct models on the Ultrafeedback-binarized and Mixture2 datasets, validating the effectiveness of our proposed method.
comment: The first two authors contributed equally
♻ ☆ Complexity of Injectivity and Verification of ReLU Neural Networks
Neural networks with ReLU activation play a key role in modern machine learning. Understanding the functions represented by ReLU networks is a major topic in current research as this enables a better interpretability of learning processes. Injectivity of a function computed by a ReLU network, that is, the question if different inputs to the network always lead to different outputs, plays a crucial role whenever invertibility of the function is required, such as, e.g., for inverse problems or generative models. The exact computational complexity of deciding injectivity was recently posed as an open problem (Puthawala et al. [JMLR 2022]). We answer this question by proving coNP-completeness. On the positive side, we show that the problem for a single ReLU-layer is still tractable for small input dimension; more precisely, we present a parameterized algorithm which yields fixed-parameter tractability with respect to the input dimension. In addition, we study the network verification problem which is to verify that certain inputs only yield specific outputs. This is of great importance since neural networks are increasingly used in safety-critical systems. We prove that network verification is coNP-hard for a general class of input domains. Our results also exclude constant-factor polynomial-time approximations for the maximum of a function computed by a ReLU network. In this context, we also characterize surjectivity of functions computed by ReLU networks with one-dimensional output which turns out to be the complement of a basic network verification task. We reveal interesting connections to computational convexity by formulating the surjectivity problem as a zonotope containment problem
comment: 26 pages, Accepted for presentation at the Conference on Learning Theory (COLT) 2025
♻ ☆ Code Graph Model (CGM): A Graph-Integrated Large Language Model for Repository-Level Software Engineering Tasks
Recent advances in Large Language Models (LLMs) have shown promise in function-level code generation, yet repository-level software engineering tasks remain challenging. Current solutions predominantly rely on proprietary LLM agents, which introduce unpredictability and limit accessibility, raising concerns about data privacy and model customization. This paper investigates whether open-source LLMs can effectively address repository-level tasks without requiring agent-based approaches. We demonstrate this is possible by enabling LLMs to comprehend functions and files within codebases through their semantic information and structural dependencies. To this end, we introduce Code Graph Models (CGMs), which integrate repository code graph structures into the LLM's attention mechanism and map node attributes to the LLM's input space using a specialized adapter. When combined with an agentless graph RAG framework, our approach achieves a 43.00% resolution rate on the SWE-bench Lite benchmark using the open-source Qwen2.5-72B model. This performance ranks first among open weight models, second among methods with open-source systems, and eighth overall, surpassing the previous best open-source model-based method by 12.33%.
comment: 35 pages, 10 figures
♻ ☆ DRL-Based Federated Self-Supervised Learning for Task Offloading and Resource Allocation in ISAC-Enabled Vehicle Edge Computing
Intelligent Transportation Systems (ITS) leverage Integrated Sensing and Communications (ISAC) to enhance data exchange between vehicles and infrastructure in the Internet of Vehicles (IoV). This integration inevitably increases computing demands, risking real-time system stability. Vehicle Edge Computing (VEC) addresses this by offloading tasks to Road Side Unit (RSU), ensuring timely services. Our previous work FLSimCo algorithm, which uses local resources for Federated Self-Supervised Learning (SSL), though vehicles often can't complete all iterations task. Our improved algorithm offloads partial task to RSU and optimizes energy consumption by adjusting transmission power, CPU frequency, and task assignment ratios, balancing local and RSU-based training. Meanwhile, setting an offloading threshold further prevents inefficiencies. Simulation results show that the enhanced algorithm reduces energy consumption, improves offloading efficiency and the accuracy of Federated SSL.
comment: This paper has been accepted by Digital Communications and Networks. The source code has been released at: https://github.com/qiongwu86/Federated-SSL-task-offloading-and-resource-allocation
♻ ☆ Membership Inference Attack Should Move On to Distributional Statistics for Distilled Generative Models
To detect unauthorized data usage in training large-scale generative models (e.g., ChatGPT or Midjourney), membership inference attacks (MIA) have proven effective in distinguishing a single training instance (a member) from a single non-training instance (a non-member). This success is mainly credited to a memorization effect: models tend to perform better on a member than a non-member. However, we find that standard MIAs fail against distilled generative models (i.e., student models) that are increasingly deployed in practice for efficiency (e.g., ChatGPT 4o-mini). Trained exclusively on data generated from a large-scale model (a teacher model), the student model lacks direct exposure to any members (teacher's training data), nullifying the memorization effect that standard MIAs rely on. This finding reveals a serious privacy loophole, where generation-service providers could deploy a student model whose teacher was potentially trained on unauthorized data, yet claim the deployed model is clean because it was not directly trained on such data. Hence, are distilled models inherently unauditable for upstream privacy violations, and should we discard them when we care about privacy? We contend no, as we uncover a memory chain connecting the student and teacher's member data: the distribution of student-generated data aligns more closely with the distribution of the teacher's members than with non-members, thus we can detect unauthorized data usage even when direct instance-level memorization is absent. This leads us to posit that MIAs on distilled generative models should shift from instance-level scores to distribution-level statistics. We further propose three principles of distribution-based MIAs for detecting unauthorized training data through distilled generative models, and validate our position through an exemplar framework. We lastly discuss the implications of our position.
♻ ☆ A Sparse Tensor Generator with Efficient Feature Extraction
Sparse tensor operations are increasingly important in diverse applications such as social networks, deep learning, diagnosis, crime, and review analysis. However, a major obstacle in sparse tensor research is the lack of large-scale sparse tensor datasets. Another challenge lies in analyzing sparse tensor features, which are essential not only for understanding the nonzero pattern but also for selecting the most suitable storage format, decomposition algorithm, and reordering methods. However, due to the large size of real-world tensors, even extracting these features can be computationally expensive without careful optimization. To address these limitations, we have developed a smart sparse tensor generator that replicates key characteristics of real sparse tensors. Additionally, we propose efficient methods for extracting a comprehensive set of sparse tensor features. The effectiveness of our generator is validated through the quality of extracted features and the performance of decomposition on the generated tensors. Both the sparse tensor feature extractor and the tensor generator are open source with all the artifacts available at https://github.com/sparcityeu/FeaTensor and https://github.com/sparcityeu/GenTensor, respectively.
comment: 22 pages, 4 figures, 7 tables
♻ ☆ LabTOP: A Unified Model for Lab Test Outcome Prediction on Electronic Health Records
Lab tests are fundamental for diagnosing diseases and monitoring patient conditions. However, frequent testing can be burdensome for patients, and test results may not always be immediately available. To address these challenges, we propose LabTOP, a unified model that predicts lab test outcomes by leveraging a language modeling approach on EHR data. Unlike conventional methods that estimate only a subset of lab tests or classify discrete value ranges, LabTOP performs continuous numerical predictions for a diverse range of lab items. We evaluate LabTOP on three publicly available EHR datasets and demonstrate that it outperforms existing methods, including traditional machine learning models and state-of-the-art large language models. We also conduct extensive ablation studies to confirm the effectiveness of our design choices. We believe that LabTOP will serve as an accurate and generalizable framework for lab test outcome prediction, with potential applications in clinical decision support and early detection of critical conditions.
comment: 11 pages for main text, 13 pages for appendix
♻ ☆ From Experts to a Generalist: Toward General Whole-Body Control for Humanoid Robots
Achieving general agile whole-body control on humanoid robots remains a major challenge due to diverse motion demands and data conflicts. While existing frameworks excel in training single motion-specific policies, they struggle to generalize across highly varied behaviors due to conflicting control requirements and mismatched data distributions. In this work, we propose BumbleBee (BB), an expert-generalist learning framework that combines motion clustering and sim-to-real adaptation to overcome these challenges. BB first leverages an autoencoder-based clustering method to group behaviorally similar motions using motion features and motion descriptions. Expert policies are then trained within each cluster and refined with real-world data through iterative delta action modeling to bridge the sim-to-real gap. Finally, these experts are distilled into a unified generalist controller that preserves agility and robustness across all motion types. Experiments on two simulations and a real humanoid robot demonstrate that BB achieves state-of-the-art general whole-body control, setting a new benchmark for agile, robust, and generalizable humanoid performance in the real world.
♻ ☆ Ladder-residual: parallelism-aware architecture for accelerating large model inference with communication overlapping ICML 2025
Large language model inference is both memory-intensive and time-consuming, often requiring distributed algorithms to efficiently scale. Various model parallelism strategies are used in multi-gpu training and inference to partition computation across multiple devices, reducing memory load and computation time. However, using model parallelism necessitates communication of information between GPUs, which has been a major bottleneck and limits the gains obtained by scaling up the number of devices. We introduce Ladder Residual, a simple architectural modification applicable to all residual-based models that enables straightforward overlapping that effectively hides the latency of communication. Our insight is that in addition to systems optimization, one can also redesign the model architecture to decouple communication from computation. While Ladder Residual can allow communication-computation decoupling in conventional parallelism patterns, we focus on Tensor Parallelism in this paper, which is particularly bottlenecked by its heavy communication. For a Transformer model with 70B parameters, applying Ladder Residual to all its layers can achieve 29% end-to-end wall clock speed up at inference time with TP sharding over 8 devices. We refer the resulting Transformer model as the Ladder Transformer. We train a 1B and 3B Ladder Transformer from scratch and observe comparable performance to a standard dense transformer baseline. We also show that it is possible to convert parts of the Llama-3.1 8B model to our Ladder Residual architecture with minimal accuracy degradation by only retraining for 3B tokens. We release our code for training and inference for easier replication of experiments.
comment: ICML 2025
♻ ☆ FALCON: Feedback-driven Adaptive Long/short-term memory reinforced Coding Optimization system
Recently, large language models (LLMs) have achieved significant progress in automated code generation. Despite their strong instruction-following capabilities, these models frequently struggled to align with user intent in coding scenarios. In particular, they were hampered by datasets that lacked diversity and failed to address specialized tasks or edge cases. Furthermore, challenges in supervised fine-tuning (SFT) and reinforcement learning from human feedback (RLHF) led to failures in generating precise, human-intent-aligned code. To tackle these challenges and improve the code generation performance for automated programming systems, we propose Feedback-driven Adaptive Long/short-term memory reinforced Coding Optimization (i.e., FALCON). FALCON is structured into two hierarchical levels. From the global level, long-term memory improves code quality by retaining and applying learned knowledge. At the local level, short-term memory allows for the incorporation of immediate feedback from compilers and AI systems. Additionally, we introduce meta-reinforcement learning with feedback rewards to solve the global-local bi-level optimization problem and enhance the model's adaptability across diverse code generation tasks. Extensive experiments demonstrate that our technique achieves state-of-the-art performance, leading other reinforcement learning methods by more than 4.5 percentage points on the MBPP benchmark and 6.1 percentage points on the Humaneval benchmark. The open-sourced code is publicly available at https://github.com/titurte/FALCON.
comment: 20 pages, 7 figures
♻ ☆ DeepGDel: Deep Learning-based Gene Deletion Prediction Framework for Growth-Coupled Production in Genome-Scale Metabolic Models
In genome-scale constraint-based metabolic models, gene deletion strategies are crucial for achieving growth-coupled production, where cell growth and target metabolite production are simultaneously achieved. While computational methods for calculating gene deletions have been widely explored and contribute to developing gene deletion strategy databases, current approaches are limited in leveraging new data-driven paradigms, such as machine learning, for more efficient strain design. Therefore, it is necessary to propose a fundamental framework for this objective. In this study, we first formulate the problem of gene deletion strategy prediction and then propose a framework for predicting gene deletion strategies for growth-coupled production in genome-scale metabolic models. The proposed framework leverages deep learning algorithms to learn and integrate sequential gene and metabolite data representation, enabling the automatic gene deletion strategy prediction. Computational experiment results demonstrate the feasibility of the proposed framework, showing substantial improvements over baseline methods. Specifically, the proposed framework achieves a 14.69%, 22.52%, and 13.03% increase in overall accuracy across three metabolic models of different scales under study, while maintaining balanced precision and recall in predicting gene deletion statuses. The source code and examples for the framework are publicly available at https://github.com/MetNetComp/DeepGDel.
Quantitative Methods 9
☆ Learning Causally Predictable Outcomes from Psychiatric Longitudinal Data
Causal inference in longitudinal biomedical data remains a central challenge, especially in psychiatry, where symptom heterogeneity and latent confounding frequently undermine classical estimators. Most existing methods for treatment effect estimation presuppose a fixed outcome variable and address confounding through observed covariate adjustment. However, the assumption of unconfoundedness may not hold for a fixed outcome in practice. To address this foundational limitation, we directly optimize the outcome definition to maximize causal identifiability. Our DEBIAS (Durable Effects with Backdoor-Invariant Aggregated Symptoms) algorithm learns non-negative, clinically interpretable weights for outcome aggregation, maximizing durable treatment effects and empirically minimizing both observed and latent confounding by leveraging the time-limited direct effects of prior treatments in psychiatric longitudinal data. The algorithm also furnishes an empirically verifiable test for outcome unconfoundedness. DEBIAS consistently outperforms state-of-the-art methods in recovering causal effects for clinically interpretable composite outcomes across comprehensive experiments in depression and schizophrenia.
comment: R code is available at github.com/ericstrobl/DEBIAS
☆ SHREC and PHEONA: Using Large Language Models to Advance Next-Generation Computational Phenotyping
Objective: Computational phenotyping is a central informatics activity with resulting cohorts supporting a wide variety of applications. However, it is time-intensive because of manual data review, limited automation, and difficulties in adapting algorithms across sources. Since LLMs have demonstrated promising capabilities for text classification, comprehension, and generation, we posit they will perform well at repetitive manual review tasks traditionally performed by human experts. To support next-generation computational phenotyping methods, we developed SHREC, a framework for comprehensive integration of LLMs into end-to-end phenotyping pipelines. Materials and Methods: We applied and tested the ability of three lightweight LLMs (Gemma2 27 billion, Mistral Small 24 billion, and Phi-4 14 billion) to classify concepts and phenotype patients using previously developed phenotypes for ARF respiratory support therapies. Results: All models performed well on concept classification, with the best model (Mistral) achieving an AUROC of 0.896 across all relevant concepts. For phenotyping, models demonstrated near-perfect specificity for all phenotypes, and the top-performing model (Mistral) reached an average AUROC of 0.853 for single-therapy phenotypes, despite lower performance on multi-therapy phenotypes. Discussion: There are several advantages of LLMs that support their application to computational phenotyping, such as their ability to adapt to new tasks with prompt engineering alone and their ability to incorporate raw EHR data. Future steps to advance next-generation phenotyping methods include determining optimal strategies for integrating biomedical data, exploring how LLMs reason, and advancing generative model methods. Conclusion: Current lightweight LLMs can feasibly assist researchers with resource-intensive phenotyping tasks such as manual data review.
comment: Submitted to Journal of the American Medical Informatics Association
☆ Geometric deep learning assists protein engineering. Opportunities and Challenges
Protein engineering is experiencing a paradigmatic shift through the integration of geometric deep learning into computational design workflows. While traditional strategies, such as rational design and directed evolution, have enabled relevant advances, they remain limited by the complexity of sequence space and the cost of experimental validation. Geometric deep learning addresses these limitations by operating on non-Euclidean domains, capturing spatial, topological, and physicochemical features essential to protein function. This perspective outlines the current applications of GDL across stability prediction, functional annotation, molecular interaction modeling, and de novo protein design. We highlight recent methodological advances in model generalization, interpretability, and robustness, particularly under data-scarce conditions. A unified framework is proposed that integrates GDL with explainable AI and structure-based validation to support transparent, autonomous design. As GDL converges with generative modeling and high-throughput experimentation, it is emerging as a central technology in next-generation protein engineering and synthetic biology.
☆ Quantification of Information Flow by Dual Reporter System and Its Application to Bacterial Chemotaxis
Mutual information is a theoretically grounded metric for quantifying cellular signaling pathways. However, its measurement demands characterization of both input and output distributions, limiting practical applications. Here, we present alternative method that alleviates this requirement using dual reporter systems. By extending extrinsic-intrinsic noise analysis, we derive a mutual information estimator that eliminates the need to measure input distribution. We demonstrate our method by analyzing the bacterial chemotactic pathway, regarding multiple flagellar motors as natural dual reporters. We show the biological relevance of the measured information flow by comparing it with theoretical bounds on sensory information. This framework opens new possibilities for quantifying information flow in cellular signaling pathways.
comment: 6 pages, 2 figures
☆ AutomataGPT: Forecasting and Ruleset Inference for Two-Dimensional Cellular Automata
Cellular automata (CA) provide a minimal formalism for investigating how simple local interactions generate rich spatiotemporal behavior in domains as diverse as traffic flow, ecology, tissue morphogenesis and crystal growth. However, automatically discovering the local update rules for a given phenomenon and using them for quantitative prediction remains challenging. Here we present AutomataGPT, a decoder-only transformer pretrained on around 1 million simulated trajectories that span 100 distinct two-dimensional binary deterministic CA rules on toroidal grids. When evaluated on previously unseen rules drawn from the same CA family, AutomataGPT attains 98.5% perfect one-step forecasts and reconstructs the governing update rule with up to 96% functional (application) accuracy and 82% exact rule-matrix match. These results demonstrate that large-scale pretraining over wider regions of rule space yields substantial generalization in both the forward (state forecasting) and inverse (rule inference) problems, without hand-crafted priors. By showing that transformer models can faithfully infer and execute CA dynamics from data alone, our work lays the groundwork for abstracting real-world dynamical phenomena into data-efficient CA surrogates, opening avenues in biology, tissue engineering, physics and AI-driven scientific discovery.
♻ ☆ Integrating Dynamical Systems Learning with Foundational Models: A Meta-Evolutionary AI Framework for Clinical Trials
Artificial intelligence (AI) has evolved into an ecosystem of specialized "species," each with unique strengths. We analyze two: DeepSeek-V3, a 671-billion-parameter Mixture of Experts large language model (LLM) exemplifying scale-driven generality, and NetraAI, a dynamical system-based framework engineered for stability and interpretability on small clinical trial datasets. We formalize NetraAI's foundations, combining contraction mappings, information geometry, and evolutionary algorithms to identify predictive patient cohorts. Features are embedded in a metric space and iteratively contracted toward stable attractors that define latent subgroups. A pseudo-temporal embedding and long-range memory enable exploration of higher-order feature interactions, while an internal evolutionary loop selects compact, explainable 2-4-variable bundles ("Personas"). To guide discovery, we introduce an LLM Strategist as a meta-evolutionary layer that observes Persona outputs, prioritizes promising variables, injects domain knowledge, and assesses robustness. This two-tier architecture mirrors the human scientific process: NetraAI as experimentalist, the LLM as theorist, forming a self-improving loop. In case studies (schizophrenia, depression, pancreatic cancer), NetraAI uncovered small, high-effect-size subpopulations that transformed weak baseline models (AUC ~0.50-0.68) into near-perfect classifiers using only a few features. We position NetraAI at the intersection of dynamical systems, information geometry, and evolutionary learning, aligned with emerging concept-level reasoning paradigms such as LeCun's Joint Embedding Predictive Architecture (JEPA). By prioritizing reliable, explainable knowledge, NetraAI offers a new generation of adaptive, self-reflective AI to accelerate clinical discovery.
comment: 27 pages
♻ ☆ Data-driven modeling and prediction of microglial cell dynamics in the ischemic penumbra
Neuroinflammation immediately follows the onset of ischemic stroke. During this process, microglial cells are activated in and recruited to the tissue surrounding the irreversibly injured infarct core, referred to as the penumbra. Microglial cells can be activated into two distinct phenotypes; however, the dynamics between the detrimental M1 phenotype and beneficial M2 phenotype are not fully understood. Using phenotype-specific cell count data obtained from experimental studies on middle cerebral artery occlusion-induced stroke in mice, we employ sparsity-promoting system identification techniques combined with Bayesian statistical methods for uncertainty quantification to generate continuous and discrete-time predictive models of the M1 and M2 microglial cell dynamics. The resulting data-driven models include constant and linear terms but do not include nonlinear interactions between the cells. Results emphasize an initial M2 dominance followed by a takeover of M1 cells, capture potential long-term dynamics of microglial cells, and suggest a persistent inflammatory response.
comment: 25 pages, 14 figures. Updated full-length article; initial results are presented in the conference proceedings paper (see version 1)
♻ ☆ EchoNet-Quality: Denoising Echocardiograms via Deep Generative Modeling of Ultrasound Noise
Echocardiography (echo), or cardiac ultrasound, is the most widely used imaging modality for cardiac form and function due to its relatively low cost, rapid acquisition time, and non-invasive nature. However, ultrasound acquisitions are often limited by artifacts and noise that hinder diagnostic interpretation in clinical settings. Existing methodologies for denoising echos consist solely of traditional filtering-based algorithms or deep learning methods developed on radio-frequency (RF) signals which prevents clinical applicability and scalability. To address these limitations, we introduce the first deep generative model capable of simulating ultrasound noise developed on B-mode data. Using this generative model, we develop a synthetic dataset of paired clean and noisy echo images to train a downstream model for real-world image denoising and demonstrate state-of-the-art performance in both internal and external experiments. In both held-out test sets, our method results in echo images with higher gCNR in comparison to noisy image counterparts and images derived from a comparable method which is consistent with provided visual comparisons. Our experiments showcase the potential of our method for future clinical use to improve the quality of echo acquisitions. To encourage further research into the field, we release our source code and model weights at https://github.com/echonet/image_quality.
♻ ☆ DeepGDel: Deep Learning-based Gene Deletion Prediction Framework for Growth-Coupled Production in Genome-Scale Metabolic Models
In genome-scale constraint-based metabolic models, gene deletion strategies are crucial for achieving growth-coupled production, where cell growth and target metabolite production are simultaneously achieved. While computational methods for calculating gene deletions have been widely explored and contribute to developing gene deletion strategy databases, current approaches are limited in leveraging new data-driven paradigms, such as machine learning, for more efficient strain design. Therefore, it is necessary to propose a fundamental framework for this objective. In this study, we first formulate the problem of gene deletion strategy prediction and then propose a framework for predicting gene deletion strategies for growth-coupled production in genome-scale metabolic models. The proposed framework leverages deep learning algorithms to learn and integrate sequential gene and metabolite data representation, enabling the automatic gene deletion strategy prediction. Computational experiment results demonstrate the feasibility of the proposed framework, showing substantial improvements over baseline methods. Specifically, the proposed framework achieves a 14.69%, 22.52%, and 13.03% increase in overall accuracy across three metabolic models of different scales under study, while maintaining balanced precision and recall in predicting gene deletion statuses. The source code and examples for the framework are publicly available at https://github.com/MetNetComp/DeepGDel.
Cell Behavior 2
☆ Quantification of Information Flow by Dual Reporter System and Its Application to Bacterial Chemotaxis
Mutual information is a theoretically grounded metric for quantifying cellular signaling pathways. However, its measurement demands characterization of both input and output distributions, limiting practical applications. Here, we present alternative method that alleviates this requirement using dual reporter systems. By extending extrinsic-intrinsic noise analysis, we derive a mutual information estimator that eliminates the need to measure input distribution. We demonstrate our method by analyzing the bacterial chemotactic pathway, regarding multiple flagellar motors as natural dual reporters. We show the biological relevance of the measured information flow by comparing it with theoretical bounds on sensory information. This framework opens new possibilities for quantifying information flow in cellular signaling pathways.
comment: 6 pages, 2 figures
♻ ☆ Data-driven modeling and prediction of microglial cell dynamics in the ischemic penumbra
Neuroinflammation immediately follows the onset of ischemic stroke. During this process, microglial cells are activated in and recruited to the tissue surrounding the irreversibly injured infarct core, referred to as the penumbra. Microglial cells can be activated into two distinct phenotypes; however, the dynamics between the detrimental M1 phenotype and beneficial M2 phenotype are not fully understood. Using phenotype-specific cell count data obtained from experimental studies on middle cerebral artery occlusion-induced stroke in mice, we employ sparsity-promoting system identification techniques combined with Bayesian statistical methods for uncertainty quantification to generate continuous and discrete-time predictive models of the M1 and M2 microglial cell dynamics. The resulting data-driven models include constant and linear terms but do not include nonlinear interactions between the cells. Results emphasize an initial M2 dominance followed by a takeover of M1 cells, capture potential long-term dynamics of microglial cells, and suggest a persistent inflammatory response.
comment: 25 pages, 14 figures. Updated full-length article; initial results are presented in the conference proceedings paper (see version 1)
Computation and Language 100
☆ PhantomHunter: Detecting Unseen Privately-Tuned LLM-Generated Text via Family-Aware Learning
With the popularity of large language models (LLMs), undesirable societal problems like misinformation production and academic misconduct have been more severe, making LLM-generated text detection now of unprecedented importance. Although existing methods have made remarkable progress, a new challenge posed by text from privately tuned LLMs remains underexplored. Users could easily possess private LLMs by fine-tuning an open-source one with private corpora, resulting in a significant performance drop of existing detectors in practice. To address this issue, we propose PhantomHunter, an LLM-generated text detector specialized for detecting text from unseen, privately-tuned LLMs. Its family-aware learning framework captures family-level traits shared across the base models and their derivatives, instead of memorizing individual characteristics. Experiments on data from LLaMA, Gemma, and Mistral families show its superiority over 7 baselines and 3 industrial services, with F1 scores of over 96%.
comment: 17 pages, 3 figures, 6 tables
☆ GenRecal: Generation after Recalibration from Large to Small Vision-Language Models
Recent advancements in vision-language models (VLMs) have leveraged large language models (LLMs) to achieve performance on par with closed-source systems like GPT-4V. However, deploying these models in real-world scenarios, particularly on resource-constrained devices, remains challenging due to their substantial computational demands. This has spurred interest in distilling knowledge from large VLMs into smaller, more efficient counterparts. A key challenge arises here from the diversity of VLM architectures, which are built on different LLMs and employ varying token types-differing in vocabulary size, token splits, and token index ordering. To address this challenge of limitation to a specific VLM type, we present Generation after Recalibration (GenRecal), a novel, general-purpose distillation framework for VLMs. GenRecal incorporates a Recalibrator that aligns and adapts feature representations between heterogeneous VLMs, enabling effective knowledge transfer across different types of VLMs. Through extensive experiments on multiple challenging benchmarks, we demonstrate that GenRecal significantly improves baseline performances, eventually outperforming large-scale open- and closed-source VLMs.
comment: Project page: https://byungkwanlee.github.io/GenRecal-page/
☆ Dense SAE Latents Are Features, Not Bugs
Sparse autoencoders (SAEs) are designed to extract interpretable features from language models by enforcing a sparsity constraint. Ideally, training an SAE would yield latents that are both sparse and semantically meaningful. However, many SAE latents activate frequently (i.e., are \emph{dense}), raising concerns that they may be undesirable artifacts of the training procedure. In this work, we systematically investigate the geometry, function, and origin of dense latents and show that they are not only persistent but often reflect meaningful model representations. We first demonstrate that dense latents tend to form antipodal pairs that reconstruct specific directions in the residual stream, and that ablating their subspace suppresses the emergence of new dense features in retrained SAEs -- suggesting that high density features are an intrinsic property of the residual space. We then introduce a taxonomy of dense latents, identifying classes tied to position tracking, context binding, entropy regulation, letter-specific output signals, part-of-speech, and principal component reconstruction. Finally, we analyze how these features evolve across layers, revealing a shift from structural features in early layers, to semantic features in mid layers, and finally to output-oriented signals in the last layers of the model. Our findings indicate that dense latents serve functional roles in language model computation and should not be dismissed as training noise.
☆ Embodied Web Agents: Bridging Physical-Digital Realms for Integrated Agent Intelligence
AI agents today are mostly siloed - they either retrieve and reason over vast amount of digital information and knowledge obtained online; or interact with the physical world through embodied perception, planning and action - but rarely both. This separation limits their ability to solve tasks that require integrated physical and digital intelligence, such as cooking from online recipes, navigating with dynamic map data, or interpreting real-world landmarks using web knowledge. We introduce Embodied Web Agents, a novel paradigm for AI agents that fluidly bridge embodiment and web-scale reasoning. To operationalize this concept, we first develop the Embodied Web Agents task environments, a unified simulation platform that tightly integrates realistic 3D indoor and outdoor environments with functional web interfaces. Building upon this platform, we construct and release the Embodied Web Agents Benchmark, which encompasses a diverse suite of tasks including cooking, navigation, shopping, tourism, and geolocation - all requiring coordinated reasoning across physical and digital realms for systematic assessment of cross-domain intelligence. Experimental results reveal significant performance gaps between state-of-the-art AI systems and human capabilities, establishing both challenges and opportunities at the intersection of embodied cognition and web-scale knowledge access. All datasets, codes and websites are publicly available at our project page https://embodied-web-agent.github.io/.
☆ Gender-Neutral Machine Translation Strategies in Practice
Gender-inclusive machine translation (MT) should preserve gender ambiguity in the source to avoid misgendering and representational harms. While gender ambiguity often occurs naturally in notional gender languages such as English, maintaining that gender neutrality in grammatical gender languages is a challenge. Here we assess the sensitivity of 21 MT systems to the need for gender neutrality in response to gender ambiguity in three translation directions of varying difficulty. The specific gender-neutral strategies that are observed in practice are categorized and discussed. Additionally, we examine the effect of binary gender stereotypes on the use of gender-neutral translation. In general, we report a disappointing absence of gender-neutral translations in response to gender ambiguity. However, we observe a small handful of MT systems that switch to gender neutral translation using specific strategies, depending on the target language.
comment: to appear at GITT 2025
☆ Leaky Thoughts: Large Reasoning Models Are Not Private Thinkers
We study privacy leakage in the reasoning traces of large reasoning models used as personal agents. Unlike final outputs, reasoning traces are often assumed to be internal and safe. We challenge this assumption by showing that reasoning traces frequently contain sensitive user data, which can be extracted via prompt injections or accidentally leak into outputs. Through probing and agentic evaluations, we demonstrate that test-time compute approaches, particularly increased reasoning steps, amplify such leakage. While increasing the budget of those test-time compute approaches makes models more cautious in their final answers, it also leads them to reason more verbosely and leak more in their own thinking. This reveals a core tension: reasoning improves utility but enlarges the privacy attack surface. We argue that safety efforts must extend to the model's internal thinking, not just its outputs.
☆ CC-LEARN: Cohort-based Consistency Learning
Large language models excel at many tasks but still struggle with consistent, robust reasoning. We introduce Cohort-based Consistency Learning (CC-Learn), a reinforcement learning framework that improves the reliability of LLM reasoning by training on cohorts of similar questions derived from shared programmatic abstractions. To enforce cohort-level consistency, we define a composite objective combining cohort accuracy, a retrieval bonus for effective problem decomposition, and a rejection penalty for trivial or invalid lookups that reinforcement learning can directly optimize, unlike supervised fine-tuning. Optimizing this reward guides the model to adopt uniform reasoning patterns across all cohort members. Experiments on challenging reasoning benchmarks (including ARC-Challenge and StrategyQA) show that CC-Learn boosts both accuracy and reasoning stability over pretrained and SFT baselines. These results demonstrate that cohort-level RL effectively enhances reasoning consistency in LLMs.
☆ AutoRule: Reasoning Chain-of-thought Extracted Rule-based Rewards Improve Preference Learning
Rule-based rewards offer a promising strategy for improving reinforcement learning from human feedback (RLHF), but current approaches often rely on manual rule engineering. We present AutoRule, a fully automated method for extracting rules from preference feedback and formulating them into rule-based rewards. AutoRule extraction operates in three stages: it leverages a reasoning model to interpret user preferences, identifies candidate rules from the reasoning chain of these interpretations, and synthesizes them into a unified rule set. Leveraging the finalized rule set, we employ language-model verifiers to compute the fraction of rules satisfied by each output, using this metric as an auxiliary reward alongside the learned reward model during policy optimization. Training a Llama-3-8B model with AutoRule results in a 28.6\% relative improvement in length-controlled win rate on AlpacaEval2.0, and a 6.1\% relative gain in second-turn performance on a held-out MT-Bench subset, compared to a GRPO baseline trained with the same learned reward model but without the rule-based auxiliary reward. Our analysis confirms that the extracted rules exhibit good agreement with dataset preference. We find that AutoRule demonstrates reduced reward hacking compared to a learned reward model when run over two episodes. Finally, our case study suggests that the extracted rules capture unique qualities valued in different datasets. The extracted rules are provided in the appendix, and the code is open-sourced at https://github.com/cxcscmu/AutoRule.
☆ Oldies but Goldies: The Potential of Character N-grams for Romanian Texts
This study addresses the problem of authorship attribution for Romanian texts using the ROST corpus, a standard benchmark in the field. We systematically evaluate six machine learning techniques: Support Vector Machine (SVM), Logistic Regression (LR), k-Nearest Neighbors (k-NN), Decision Trees (DT), Random Forests (RF), and Artificial Neural Networks (ANN), employing character n-gram features for classification. Among these, the ANN model achieved the highest performance, including perfect classification in four out of fifteen runs when using 5-gram features. These results demonstrate that lightweight, interpretable character n-gram approaches can deliver state-of-the-art accuracy for Romanian authorship attribution, rivaling more complex methods. Our findings highlight the potential of simple stylometric features in resource, constrained or under-studied language settings.
☆ Revisiting Compositional Generalization Capability of Large Language Models Considering Instruction Following Ability ACL 2025
In generative commonsense reasoning tasks such as CommonGen, generative large language models (LLMs) compose sentences that include all given concepts. However, when focusing on instruction-following capabilities, if a prompt specifies a concept order, LLMs must generate sentences that adhere to the specified order. To address this, we propose Ordered CommonGen, a benchmark designed to evaluate the compositional generalization and instruction-following abilities of LLMs. This benchmark measures ordered coverage to assess whether concepts are generated in the specified order, enabling a simultaneous evaluation of both abilities. We conducted a comprehensive analysis using 36 LLMs and found that, while LLMs generally understand the intent of instructions, biases toward specific concept order patterns often lead to low-diversity outputs or identical results even when the concept order is altered. Moreover, even the most instruction-compliant LLM achieved only about 75% ordered coverage, highlighting the need for improvements in both instruction-following and compositional generalization capabilities.
comment: ACL 2025 Main
☆ Minding the Politeness Gap in Cross-cultural Communication
Misunderstandings in cross-cultural communication often arise from subtle differences in interpretation, but it is unclear whether these differences arise from the literal meanings assigned to words or from more general pragmatic factors such as norms around politeness and brevity. In this paper, we report three experiments examining how speakers of British and American English interpret intensifiers like "quite" and "very." To better understand these cross-cultural differences, we developed a computational cognitive model where listeners recursively reason about speakers who balance informativity, politeness, and utterance cost. Our model comparisons suggested that cross-cultural differences in intensifier interpretation stem from a combination of (1) different literal meanings, (2) different weights on utterance cost. These findings challenge accounts based purely on semantic variation or politeness norms, demonstrating that cross-cultural differences in interpretation emerge from an intricate interplay between the two.
☆ The Compositional Architecture of Regret in Large Language Models
Regret in Large Language Models refers to their explicit regret expression when presented with evidence contradicting their previously generated misinformation. Studying the regret mechanism is crucial for enhancing model reliability and helps in revealing how cognition is coded in neural networks. To understand this mechanism, we need to first identify regret expressions in model outputs, then analyze their internal representation. This analysis requires examining the model's hidden states, where information processing occurs at the neuron level. However, this faces three key challenges: (1) the absence of specialized datasets capturing regret expressions, (2) the lack of metrics to find the optimal regret representation layer, and (3) the lack of metrics for identifying and analyzing regret neurons. Addressing these limitations, we propose: (1) a workflow for constructing a comprehensive regret dataset through strategically designed prompting scenarios, (2) the Supervised Compression-Decoupling Index (S-CDI) metric to identify optimal regret representation layers, and (3) the Regret Dominance Score (RDS) metric to identify regret neurons and the Group Impact Coefficient (GIC) to analyze activation patterns. Our experimental results successfully identified the optimal regret representation layer using the S-CDI metric, which significantly enhanced performance in probe classification experiments. Additionally, we discovered an M-shaped decoupling pattern across model layers, revealing how information processing alternates between coupling and decoupling phases. Through the RDS metric, we categorized neurons into three distinct functional groups: regret neurons, non-regret neurons, and dual neurons.
comment: 23 pages
☆ LoX: Low-Rank Extrapolation Robustifies LLM Safety Against Fine-tuning
Large Language Models (LLMs) have become indispensable in real-world applications. However, their widespread adoption raises significant safety concerns, particularly in responding to socially harmful questions. Despite substantial efforts to improve model safety through alignment, aligned models can still have their safety protections undermined by subsequent fine-tuning - even when the additional training data appears benign. In this paper, we empirically demonstrate that this vulnerability stems from the sensitivity of safety-critical low-rank subspaces in LLM parameters to fine-tuning. Building on this insight, we propose a novel training-free method, termed Low-Rank Extrapolation (LoX), to enhance safety robustness by extrapolating the safety subspace of an aligned LLM. Our experimental results confirm the effectiveness of LoX, demonstrating significant improvements in robustness against both benign and malicious fine-tuning attacks while preserving the model's adaptability to new tasks. For instance, LoX leads to 11% to 54% absolute reductions in attack success rates (ASR) facing benign or malicious fine-tuning attacks. By investigating the ASR landscape of parameters, we attribute the success of LoX to that the extrapolation moves LLM parameters to a flatter zone, thereby less sensitive to perturbations. The code is available at github.com/VITA-Group/LoX.
☆ From Model to Classroom: Evaluating Generated MCQs for Portuguese with Narrative and Difficulty Concerns
While MCQs are valuable for learning and evaluation, manually creating them with varying difficulty levels and targeted reading skills remains a time-consuming and costly task. Recent advances in generative AI provide an opportunity to automate MCQ generation efficiently. However, assessing the actual quality and reliability of generated MCQs has received limited attention -- particularly regarding cases where generation fails. This aspect becomes particularly important when the generated MCQs are meant to be applied in real-world settings. Additionally, most MCQ generation studies focus on English, leaving other languages underexplored. This paper investigates the capabilities of current generative models in producing MCQs for reading comprehension in Portuguese, a morphologically rich language. Our study focuses on generating MCQs that align with curriculum-relevant narrative elements and span different difficulty levels. We evaluate these MCQs through expert review and by analyzing the psychometric properties extracted from student responses to assess their suitability for elementary school students. Our results show that current models can generate MCQs of comparable quality to human-authored ones. However, we identify issues related to semantic clarity and answerability. Also, challenges remain in generating distractors that engage students and meet established criteria for high-quality MCQ option design.
comment: This is a preprint version of the manuscript currently under review at an international journal
☆ WikiMixQA: A Multimodal Benchmark for Question Answering over Tables and Charts ACL 2025
Documents are fundamental to preserving and disseminating information, often incorporating complex layouts, tables, and charts that pose significant challenges for automatic document understanding (DU). While vision-language large models (VLLMs) have demonstrated improvements across various tasks, their effectiveness in processing long-context vision inputs remains unclear. This paper introduces WikiMixQA, a benchmark comprising 1,000 multiple-choice questions (MCQs) designed to evaluate cross-modal reasoning over tables and charts extracted from 4,000 Wikipedia pages spanning seven distinct topics. Unlike existing benchmarks, WikiMixQA emphasizes complex reasoning by requiring models to synthesize information from multiple modalities. We evaluate 12 state-of-the-art vision-language models, revealing that while proprietary models achieve ~70% accuracy when provided with direct context, their performance deteriorates significantly when retrieval from long documents is required. Among these, GPT-4-o is the only model exceeding 50% accuracy in this setting, whereas open-source models perform considerably worse, with a maximum accuracy of 27%. These findings underscore the challenges of long-context, multi-modal reasoning and establish WikiMixQA as a crucial benchmark for advancing document understanding research.
comment: ACL 2025 (Findings)
☆ DiscoSG: Towards Discourse-Level Text Scene Graph Parsing through Iterative Graph Refinement
Vision-Language Models (VLMs) now generate discourse-level, multi-sentence visual descriptions, challenging text scene graph parsers originally designed for single-sentence caption-to-graph mapping. Current approaches typically merge sentence-level parsing outputs for discourse input, often missing phenomena like cross-sentence coreference, resulting in fragmented graphs and degraded downstream VLM task performance. To address this, we introduce a new task, Discourse-level text Scene Graph parsing (DiscoSG), supported by our dataset DiscoSG-DS, which comprises 400 expert-annotated and 8,430 synthesised multi-sentence caption-graph pairs for images. Each caption averages 9 sentences, and each graph contains at least 3 times more triples than those in existing datasets. While fine-tuning large PLMs (i.e., GPT-4) on DiscoSG-DS improves SPICE by approximately 48% over the best sentence-merging baseline, high inference cost and restrictive licensing hinder its open-source use, and smaller fine-tuned PLMs struggle with complex graphs. We propose DiscoSG-Refiner, which drafts a base graph using one small PLM, then employs a second PLM to iteratively propose graph edits, reducing full-graph generation overhead. Using two Flan-T5-Base models, DiscoSG-Refiner still improves SPICE by approximately 30% over the best baseline while achieving 86 times faster inference than GPT-4. It also consistently improves downstream VLM tasks like discourse-level caption evaluation and hallucination detection. Code and data are available at: https://github.com/ShaoqLin/DiscoSG
☆ SciVer: Evaluating Foundation Models for Multimodal Scientific Claim Verification
We introduce SciVer, the first benchmark specifically designed to evaluate the ability of foundation models to verify claims within a multimodal scientific context. SciVer consists of 3,000 expert-annotated examples over 1,113 scientific papers, covering four subsets, each representing a common reasoning type in multimodal scientific claim verification. To enable fine-grained evaluation, each example includes expert-annotated supporting evidence. We assess the performance of 21 state-of-the-art multimodal foundation models, including o4-mini, Gemini-2.5-Flash, Llama-3.2-Vision, and Qwen2.5-VL. Our experiment reveals a substantial performance gap between these models and human experts on SciVer. Through an in-depth analysis of retrieval-augmented generation (RAG), and human-conducted error evaluations, we identify critical limitations in current open-source models, offering key insights to advance models' comprehension and reasoning in multimodal scientific literature tasks.
☆ Gender Inclusivity Fairness Index (GIFI): A Multilevel Framework for Evaluating Gender Diversity in Large Language Models ACL 2025
We present a comprehensive evaluation of gender fairness in large language models (LLMs), focusing on their ability to handle both binary and non-binary genders. While previous studies primarily focus on binary gender distinctions, we introduce the Gender Inclusivity Fairness Index (GIFI), a novel and comprehensive metric that quantifies the diverse gender inclusivity of LLMs. GIFI consists of a wide range of evaluations at different levels, from simply probing the model with respect to provided gender pronouns to testing various aspects of model generation and cognitive behaviors under different gender assumptions, revealing biases associated with varying gender identifiers. We conduct extensive evaluations with GIFI on 22 prominent open-source and proprietary LLMs of varying sizes and capabilities, discovering significant variations in LLMs' gender inclusivity. Our study highlights the importance of improving LLMs' inclusivity, providing a critical benchmark for future advancements in gender fairness in generative models.
comment: Accepted by ACL 2025 Main
PredGen: Accelerated Inference of Large Language Models through Input-Time Speculation for Real-Time Speech Interaction
Large Language Models (LLMs) are widely used in real-time voice chat applications, typically in combination with text-to-speech (TTS) systems to generate audio responses. However, their large size often leads to noticeable latency between the end of user input and the start of audio output, resulting in suboptimal user experiences. This latency is particularly evident when LLMs are deployed as single-user voice assistants on consumer-grade hardware with limited computing capacity. We discovered that this latency is primarily dominated by the time it takes for the LLMs to generate the first sentence, which is required as input by the TTS systems that synthesize audio responses on a sentence-by-sentence basis. To address this bottleneck, we propose Predictive Generation (PredGen), a novel framework that mitigates-or even eliminates-this delay through speculative decoding at input time. PredGen generates candidate responses while the user is still speaking, enabling the system to begin TTS processing with minimal delay. Simulated experiments on the Lmsys and MT-Bench datasets show that the proposed method can effectively reduce the latency by around 2x across a wide range of use cases, while incurring only minimal additional computation cost at input time-computation that would otherwise go unused.
comment: 16 pages,4 figures
☆ Approximating Language Model Training Data from Weights
Modern language models often have open weights but closed training data. We formalize the problem of data approximation from model weights and propose several baselines and metrics. We develop a gradient-based approach that selects the highest-matching data from a large public text corpus and show its effectiveness at recovering useful data given only weights of the original and finetuned models. Even when none of the true training data is known, our method is able to locate a small subset of public Web documents can be used to train a model to close to the original model performance given models trained for both classification and supervised-finetuning. On the AG News classification task, our method improves performance from 65% (using randomly selected data) to 80%, approaching the expert benchmark of 88%. When applied to a model trained with SFT on MSMARCO web documents, our method reduces perplexity from 3.3 to 2.3, compared to an expert LLAMA model's perplexity of 2.0.
☆ RATTENTION: Towards the Minimal Sliding Window Size in Local-Global Attention Models
Local-global attention models have recently emerged as compelling alternatives to standard Transformers, promising improvements in both training and inference efficiency. However, the crucial choice of window size presents a Pareto tradeoff: larger windows maintain performance akin to full attention but offer minimal efficiency gains in short-context scenarios, while smaller windows can lead to performance degradation. Current models, such as Gemma2 and Mistral, adopt conservative window sizes (e.g., 4096 out of an 8192 pretraining length) to preserve performance. This work investigates strategies to shift this Pareto frontier, enabling local-global models to achieve efficiency gains even in short-context regimes. Our core motivation is to address the intrinsic limitation of local attention -- its complete disregard for tokens outside the defined window. We explore RATTENTION, a variant of local attention integrated with a specialized linear attention mechanism designed to capture information from these out-of-window tokens. Pretraining experiments at the 3B and 12B scales demonstrate that RATTENTION achieves a superior Pareto tradeoff between performance and efficiency. As a sweet spot, RATTENTION with a window size of just 512 consistently matches the performance of full-attention models across diverse settings. Furthermore, the recurrent nature inherent in the linear attention component of RATTENTION contributes to enhanced long-context performance, as validated on the RULER benchmark. Crucially, these improvements do not compromise training efficiency; thanks to a specialized kernel implementation and the reduced window size, RATTENTION maintains training speeds comparable to existing state-of-the-art approaches.
comment: 9 pages
☆ Capturing Polysemanticity with PRISM: A Multi-Concept Feature Description Framework
Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Current feature description methods face two critical challenges: limited robustness and the flawed assumption that each neuron encodes only a single concept (monosemanticity), despite growing evidence that neurons are often polysemantic. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework that captures the inherent complexity of neural network features. Unlike prior approaches that assign a single description per feature, PRISM provides more nuanced descriptions for both polysemantic and monosemantic features. We apply PRISM to language models and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).
☆ Lessons from Training Grounded LLMs with Verifiable Rewards
Generating grounded and trustworthy responses remains a key challenge for large language models (LLMs). While retrieval-augmented generation (RAG) with citation-based grounding holds promise, instruction-tuned models frequently fail even in straightforward scenarios: missing explicitly stated answers, citing incorrectly, or refusing when evidence is available. In this work, we explore how reinforcement learning (RL) and internal reasoning can enhance grounding in LLMs. We use the GRPO (Group Relative Policy Optimization) method to train models using verifiable outcome-based rewards targeting answer correctness, citation sufficiency, and refusal quality, without requiring gold reasoning traces or expensive annotations. Through comprehensive experiments across ASQA, QAMPARI, ELI5, and ExpertQA we show that reasoning-augmented models significantly outperform instruction-only variants, especially in handling unanswerable queries and generating well-cited responses. A two-stage training setup, first optimizing answer and citation behavior and then refusal, further improves grounding by stabilizing the learning signal. Additionally, we revisit instruction tuning via GPT-4 distillation and find that combining it with GRPO enhances performance on long-form, generative QA tasks. Overall, our findings highlight the value of reasoning, stage-wise optimization, and outcome-driven RL for building more verifiable and reliable LLMs.
☆ Enhancing Hyperbole and Metaphor Detection with Their Bidirectional Dynamic Interaction and Emotion Knowledge ACL 2025
Text-based hyperbole and metaphor detection are of great significance for natural language processing (NLP) tasks. However, due to their semantic obscurity and expressive diversity, it is rather challenging to identify them. Existing methods mostly focus on superficial text features, ignoring the associations of hyperbole and metaphor as well as the effect of implicit emotion on perceiving these rhetorical devices. To implement these hypotheses, we propose an emotion-guided hyperbole and metaphor detection framework based on bidirectional dynamic interaction (EmoBi). Firstly, the emotion analysis module deeply mines the emotion connotations behind hyperbole and metaphor. Next, the emotion-based domain mapping module identifies the target and source domains to gain a deeper understanding of the implicit meanings of hyperbole and metaphor. Finally, the bidirectional dynamic interaction module enables the mutual promotion between hyperbole and metaphor. Meanwhile, a verification mechanism is designed to ensure detection accuracy and reliability. Experiments show that EmoBi outperforms all baseline methods on four datasets. Specifically, compared to the current SoTA, the F1 score increased by 28.1% for hyperbole detection on the TroFi dataset and 23.1% for metaphor detection on the HYPO-L dataset. These results, underpinned by in-depth analyses, underscore the effectiveness and potential of our approach for advancing hyperbole and metaphor detection.
comment: Accepted by ACL 2025
☆ SPARE: Single-Pass Annotation with Reference-Guided Evaluation for Automatic Process Supervision and Reward Modelling
Process or step-wise supervision has played a crucial role in advancing complex multi-step reasoning capabilities of Large Language Models (LLMs). However, efficient, high-quality automated process annotation remains a significant challenge. To address this, we introduce Single-Pass Annotation with Reference-Guided Evaluation (SPARE), a novel structured framework that enables single-pass, per-step annotation by aligning each solution step to one or multiple steps in a reference solution, accompanied by explicit reasoning for evaluation. We show that reference-guided step-level evaluation effectively facilitates process supervision on four datasets spanning three domains: mathematical reasoning, multi-hop compositional question answering, and spatial reasoning. We demonstrate that SPARE, when compared to baselines, improves reasoning performance when used for: (1) fine-tuning models in an offline RL setup for inference-time greedy-decoding, and (2) training reward models for ranking/aggregating multiple LLM-generated outputs. Additionally, SPARE achieves competitive performance on challenging mathematical datasets while offering 2.6 times greater efficiency, requiring only 38% of the runtime, compared to tree search-based automatic annotation. The codebase, along with a trained SPARE-PRM model, is publicly released to facilitate further research and reproducibility.
comment: 8 pages main content, 4 figures, 4 tables
☆ Context-Informed Grounding Supervision
Large language models (LLMs) are often supplemented with external knowledge to provide information not encoded in their parameters or to reduce hallucination. In such cases, we expect the model to generate responses by grounding its response in the provided external context. However, prior work has shown that simply appending context at inference time does not ensure grounded generation. To address this, we propose Context-INformed Grounding Supervision (CINGS), a post-training supervision in which the model is trained with relevant context prepended to the response, while computing the loss only over the response tokens and masking out the context. Our experiments demonstrate that models trained with CINGS exhibit stronger grounding in both textual and visual domains compared to standard instruction-tuned models. In the text domain, CINGS outperforms other training methods across 11 information-seeking datasets and is complementary to inference-time grounding techniques. In the vision-language domain, replacing a vision-language model's LLM backbone with a CINGS-trained model reduces hallucinations across four benchmarks and maintains factual consistency throughout the generated response. This improved grounding comes without degradation in general downstream performance. Finally, we analyze the mechanism underlying the enhanced grounding in CINGS and find that it induces a shift in the model's prior knowledge and behavior, implicitly encouraging greater reliance on the external context.
☆ Factorized RVQ-GAN For Disentangled Speech Tokenization
We propose Hierarchical Audio Codec (HAC), a unified neural speech codec that factorizes its bottleneck into three linguistic levels-acoustic, phonetic, and lexical-within a single model. HAC leverages two knowledge distillation objectives: one from a pre-trained speech encoder (HuBERT) for phoneme-level structure, and another from a text-based encoder (LaBSE) for lexical cues. Experiments on English and multilingual data show that HAC's factorized bottleneck yields disentangled token sets: one aligns with phonemes, while another captures word-level semantics. Quantitative evaluations confirm that HAC tokens preserve naturalness and provide interpretable linguistic information, outperforming single-level baselines in both disentanglement and reconstruction quality. These findings underscore HAC's potential as a unified discrete speech representation, bridging acoustic detail and lexical meaning for downstream speech generation and understanding tasks.
comment: Accepted to Interspeech 2025
☆ RE-IMAGINE: Symbolic Benchmark Synthesis for Reasoning Evaluation ICML 2025
Recent Large Language Models (LLMs) have reported high accuracy on reasoning benchmarks. However, it is still unclear whether the observed results arise from true reasoning or from statistical recall of the training set. Inspired by the ladder of causation (Pearl, 2009) and its three levels (associations, interventions and counterfactuals), this paper introduces RE-IMAGINE, a framework to characterize a hierarchy of reasoning ability in LLMs, alongside an automated pipeline to generate problem variations at different levels of the hierarchy. By altering problems in an intermediate symbolic representation, RE-IMAGINE generates arbitrarily many problems that are not solvable using memorization alone. Moreover, the framework is general and can work across reasoning domains, including math, code, and logic. We demonstrate our framework on four widely-used benchmarks to evaluate several families of LLMs, and observe reductions in performance when the models are queried with problem variations. These assessments indicate a degree of reliance on statistical recall for past performance, and open the door to further research targeting skills across the reasoning hierarchy.
comment: ICML 2025
AgentGroupChat-V2: Divide-and-Conquer Is What LLM-Based Multi-Agent System Need
Large language model based multi-agent systems have demonstrated significant potential in social simulation and complex task resolution domains. However, current frameworks face critical challenges in system architecture design, cross-domain generalizability, and performance guarantees, particularly as task complexity and number of agents increases. We introduces AgentGroupChat-V2, a novel framework addressing these challenges through three core innovations: (1) a divide-and-conquer fully parallel architecture that decomposes user queries into hierarchical task forest structures enabling dependency management and distributed concurrent processing. (2) an adaptive collaboration engine that dynamically selects heterogeneous LLM combinations and interaction modes based on task characteristics. (3) agent organization optimization strategies combining divide-and-conquer approaches for efficient problem decomposition. Extensive experiments demonstrate AgentGroupChat-V2's superior performance across diverse domains, achieving 91.50% accuracy on GSM8K (exceeding the best baseline by 5.6 percentage points), 30.4% accuracy on competition-level AIME (nearly doubling other methods), and 79.20% pass@1 on HumanEval. Performance advantages become increasingly pronounced with higher task difficulty, particularly on Level 5 MATH problems where improvements exceed 11 percentage points compared to state-of-the-art baselines. These results confirm that AgentGroupChat-V2 provides a comprehensive solution for building efficient, general-purpose LLM multi-agent systems with significant advantages in complex reasoning scenarios. Code is available at https://github.com/MikeGu721/AgentGroupChat-V2.
☆ Understanding GUI Agent Localization Biases through Logit Sharpness
Multimodal large language models (MLLMs) have enabled GUI agents to interact with operating systems by grounding language into spatial actions. Despite their promising performance, these models frequently exhibit hallucinations-systematic localization errors that compromise reliability. We propose a fine-grained evaluation framework that categorizes model predictions into four distinct types, revealing nuanced failure modes beyond traditional accuracy metrics. To better quantify model uncertainty, we introduce the Peak Sharpness Score (PSS), a metric that evaluates the alignment between semantic continuity and logits distribution in coordinate prediction. Building on this insight, we further propose Context-Aware Cropping, a training-free technique that improves model performance by adaptively refining input context. Extensive experiments demonstrate that our framework and methods provide actionable insights and enhance the interpretability and robustness of GUI agent behavior.
☆ Targeted Lexical Injection: Unlocking Latent Cross-Lingual Alignment in Lugha-Llama via Early-Layer LoRA Fine-Tuning
Large Language Models (LLMs) have demonstrated remarkable capabilities, yet their performance in low-resource languages (LRLs), such as Swahili, often lags due to data scarcity and underrepresentation in pre-training. A key challenge is achieving robust cross-lingual lexical alignment, crucial for tasks like translation and cross-lingual information retrieval. This paper introduces Targeted Lexical Injection (TLI), a novel and efficient fine-tuning approach. We first demonstrate that Lugha-Llama-8B-wura, a Swahili-centric LLM, exhibits strong, near-perfect lexical alignment for Swahili-English word pairs in its early internal layers (specifically Layer 2, with ~0.99998 average cosine similarity based on a pilot study), a capability not fully reflected in its final output representations (baseline ~0.32 similarity on our evaluation set). TLI leverages this insight by using Low-Rank Adaptation (LoRA) and a contrastive learning objective to fine-tune the model, specifically targeting embeddings from this empirically identified optimal early layer. Our experiments show that TLI significantly improves the output-level lexical alignment for 623 trained Swahili-English word pairs, increasing average cosine similarity from 0.3211 to 0.4113 (+28.08%, p < 1.33 x 10^-240). More importantly, these improvements generalize remarkably well to 63 unseen control word pairs, with similarity increasing from 0.3143 to 0.4033 (+28.32%, p < 7.17 x 10^-27). These findings suggest TLI enhances the model's ability to preserve and propagate its inherent early-layer cross-lingual knowledge, offering a parameter-efficient and effective strategy for improving lexical alignment in LRL-focused LLMs.
comment: 11 pages, 3 figures, 2 tables. Research on parameter-efficient fine-tuning (PEFT) for low-resource languages (Swahili). Investigates cross-lingual lexical alignment in Lugha-Llama using LoRA and contrastive learning
☆ COSMMIC: Comment-Sensitive Multimodal Multilingual Indian Corpus for Summarization and Headline Generation ACL 2025
Despite progress in comment-aware multimodal and multilingual summarization for English and Chinese, research in Indian languages remains limited. This study addresses this gap by introducing COSMMIC, a pioneering comment-sensitive multimodal, multilingual dataset featuring nine major Indian languages. COSMMIC comprises 4,959 article-image pairs and 24,484 reader comments, with ground-truth summaries available in all included languages. Our approach enhances summaries by integrating reader insights and feedback. We explore summarization and headline generation across four configurations: (1) using article text alone, (2) incorporating user comments, (3) utilizing images, and (4) combining text, comments, and images. To assess the dataset's effectiveness, we employ state-of-the-art language models such as LLama3 and GPT-4. We conduct a comprehensive study to evaluate different component combinations, including identifying supportive comments, filtering out noise using a dedicated comment classifier using IndicBERT, and extracting valuable insights from images with a multilingual CLIP-based classifier. This helps determine the most effective configurations for natural language generation (NLG) tasks. Unlike many existing datasets that are either text-only or lack user comments in multimodal settings, COSMMIC uniquely integrates text, images, and user feedback. This holistic approach bridges gaps in Indian language resources, advancing NLP research and fostering inclusivity.
comment: ACL 2025 MAINs
☆ SANSKRITI: A Comprehensive Benchmark for Evaluating Language Models' Knowledge of Indian Culture ACL 2025
Language Models (LMs) are indispensable tools shaping modern workflows, but their global effectiveness depends on understanding local socio-cultural contexts. To address this, we introduce SANSKRITI, a benchmark designed to evaluate language models' comprehension of India's rich cultural diversity. Comprising 21,853 meticulously curated question-answer pairs spanning 28 states and 8 union territories, SANSKRITI is the largest dataset for testing Indian cultural knowledge. It covers sixteen key attributes of Indian culture: rituals and ceremonies, history, tourism, cuisine, dance and music, costume, language, art, festivals, religion, medicine, transport, sports, nightlife, and personalities, providing a comprehensive representation of India's cultural tapestry. We evaluate SANSKRITI on leading Large Language Models (LLMs), Indic Language Models (ILMs), and Small Language Models (SLMs), revealing significant disparities in their ability to handle culturally nuanced queries, with many models struggling in region-specific contexts. By offering an extensive, culturally rich, and diverse dataset, SANSKRITI sets a new standard for assessing and improving the cultural understanding of LMs.
comment: ACL 2025 Findings
☆ DeVisE: Behavioral Testing of Medical Large Language Models
Large language models (LLMs) are increasingly used in clinical decision support, yet current evaluation methods often fail to distinguish genuine medical reasoning from superficial patterns. We introduce DeVisE (Demographics and Vital signs Evaluation), a behavioral testing framework for probing fine-grained clinical understanding. We construct a dataset of ICU discharge notes from MIMIC-IV, generating both raw (real-world) and template-based (synthetic) versions with controlled single-variable counterfactuals targeting demographic (age, gender, ethnicity) and vital sign attributes. We evaluate five LLMs spanning general-purpose and medically fine-tuned variants, under both zero-shot and fine-tuned settings. We assess model behavior via (1) input-level sensitivity - how counterfactuals alter the likelihood of a note; and (2) downstream reasoning - how they affect predicted hospital length-of-stay. Our results show that zero-shot models exhibit more coherent counterfactual reasoning patterns, while fine-tuned models tend to be more stable yet less responsive to clinically meaningful changes. Notably, demographic factors subtly but consistently influence outputs, emphasizing the importance of fairness-aware evaluation. This work highlights the utility of behavioral testing in exposing the reasoning strategies of clinical LLMs and informing the design of safer, more transparent medical AI systems.
☆ When and How Unlabeled Data Provably Improve In-Context Learning
Recent research shows that in-context learning (ICL) can be effective even when demonstrations have missing or incorrect labels. To shed light on this capability, we examine a canonical setting where the demonstrations are drawn according to a binary Gaussian mixture model (GMM) and a certain fraction of the demonstrations have missing labels. We provide a comprehensive theoretical study to show that: (1) The loss landscape of one-layer linear attention models recover the optimal fully-supervised estimator but completely fail to exploit unlabeled data; (2) In contrast, multilayer or looped transformers can effectively leverage unlabeled data by implicitly constructing estimators of the form $\sum_{i\ge 0} a_i (X^\top X)^iX^\top y$ with $X$ and $y$ denoting features and partially-observed labels (with missing entries set to zero). We characterize the class of polynomials that can be expressed as a function of depth and draw connections to Expectation Maximization, an iterative pseudo-labeling algorithm commonly used in semi-supervised learning. Importantly, the leading polynomial power is exponential in depth, so mild amount of depth/looping suffices. As an application of theory, we propose looping off-the-shelf tabular foundation models to enhance their semi-supervision capabilities. Extensive evaluations on real-world datasets show that our method significantly improves the semisupervised tabular learning performance over the standard single pass inference.
☆ ConLID: Supervised Contrastive Learning for Low-Resource Language Identification EMNLP
Language identification (LID) is a critical step in curating multilingual LLM pretraining corpora from web crawls. While many studies on LID model training focus on collecting diverse training data to improve performance, low-resource languages -- often limited to single-domain data, such as the Bible -- continue to perform poorly. To resolve these class imbalance and bias issues, we propose a novel supervised contrastive learning (SCL) approach to learn domain-invariant representations for low-resource languages. Through an extensive analysis, we show that our approach improves LID performance on out-of-domain data for low-resource languages by 3.2%, demonstrating its effectiveness in enhancing LID models.
comment: Submitted to EMNLP
☆ Cohort Discovery: A Survey on LLM-Assisted Clinical Trial Recruitment
Recent advances in LLMs have greatly improved general-domain NLP tasks. Yet, their adoption in critical domains, such as clinical trial recruitment, remains limited. As trials are designed in natural language and patient data is represented as both structured and unstructured text, the task of matching trials and patients benefits from knowledge aggregation and reasoning abilities of LLMs. Classical approaches are trial-specific and LLMs with their ability to consolidate distributed knowledge hold the potential to build a more general solution. Yet recent applications of LLM-assisted methods rely on proprietary models and weak evaluation benchmarks. In this survey, we are the first to analyze the task of trial-patient matching and contextualize emerging LLM-based approaches in clinical trial recruitment. We critically examine existing benchmarks, approaches and evaluation frameworks, the challenges to adopting LLM technologies in clinical research and exciting future directions.
☆ Thunder-DeID: Accurate and Efficient De-identification Framework for Korean Court Judgments
To ensure a balance between open access to justice and personal data protection, the South Korean judiciary mandates the de-identification of court judgments before they can be publicly disclosed. However, the current de-identification process is inadequate for handling court judgments at scale while adhering to strict legal requirements. Additionally, the legal definitions and categorizations of personal identifiers are vague and not well-suited for technical solutions. To tackle these challenges, we propose a de-identification framework called Thunder-DeID, which aligns with relevant laws and practices. Specifically, we (i) construct and release the first Korean legal dataset containing annotated judgments along with corresponding lists of entity mentions, (ii) introduce a systematic categorization of Personally Identifiable Information (PII), and (iii) develop an end-to-end deep neural network (DNN)-based de-identification pipeline. Our experimental results demonstrate that our model achieves state-of-the-art performance in the de-identification of court judgments.
☆ TopClustRAG at SIGIR 2025 LiveRAG Challenge
We present TopClustRAG, a retrieval-augmented generation (RAG) system developed for the LiveRAG Challenge, which evaluates end-to-end question answering over large-scale web corpora. Our system employs a hybrid retrieval strategy combining sparse and dense indices, followed by K-Means clustering to group semantically similar passages. Representative passages from each cluster are used to construct cluster-specific prompts for a large language model (LLM), generating intermediate answers that are filtered, reranked, and finally synthesized into a single, comprehensive response. This multi-stage pipeline enhances answer diversity, relevance, and faithfulness to retrieved evidence. Evaluated on the FineWeb Sample-10BT dataset, TopClustRAG ranked 2nd in faithfulness and 7th in correctness on the official leaderboard, demonstrating the effectiveness of clustering-based context filtering and prompt aggregation in large-scale RAG systems.
☆ Research on Graph-Retrieval Augmented Generation Based on Historical Text Knowledge Graphs
This article addresses domain knowledge gaps in general large language models for historical text analysis in the context of computational humanities and AIGC technology. We propose the Graph RAG framework, combining chain-of-thought prompting, self-instruction generation, and process supervision to create a The First Four Histories character relationship dataset with minimal manual annotation. This dataset supports automated historical knowledge extraction, reducing labor costs. In the graph-augmented generation phase, we introduce a collaborative mechanism between knowledge graphs and retrieval-augmented generation, improving the alignment of general models with historical knowledge. Experiments show that the domain-specific model Xunzi-Qwen1.5-14B, with Simplified Chinese input and chain-of-thought prompting, achieves optimal performance in relation extraction (F1 = 0.68). The DeepSeek model integrated with GraphRAG improves F1 by 11% (0.08-0.19) on the open-domain C-CLUE relation extraction dataset, surpassing the F1 value of Xunzi-Qwen1.5-14B (0.12), effectively alleviating hallucinations phenomenon, and improving interpretability. This framework offers a low-resource solution for classical text knowledge extraction, advancing historical knowledge services and humanities research.
☆ Lost in Variation? Evaluating NLI Performance in Basque and Spanish Geographical Variants
In this paper, we evaluate the capacity of current language technologies to understand Basque and Spanish language varieties. We use Natural Language Inference (NLI) as a pivot task and introduce a novel, manually-curated parallel dataset in Basque and Spanish, along with their respective variants. Our empirical analysis of crosslingual and in-context learning experiments using encoder-only and decoder-based Large Language Models (LLMs) shows a performance drop when handling linguistic variation, especially in Basque. Error analysis suggests that this decline is not due to lexical overlap, but rather to the linguistic variation itself. Further ablation experiments indicate that encoder-only models particularly struggle with Western Basque, which aligns with linguistic theory that identifies peripheral dialects (e.g., Western) as more distant from the standard. All data and code are publicly available.
☆ video-SALMONN 2: Captioning-Enhanced Audio-Visual Large Language Models
Videos contain a wealth of information, and generating detailed and accurate descriptions in natural language is a key aspect of video understanding. In this paper, we present video-SALMONN 2, an advanced audio-visual large language model (LLM) with low-rank adaptation (LoRA) designed for enhanced video (with paired audio) captioning through directed preference optimisation (DPO). We propose new metrics to evaluate the completeness and accuracy of video descriptions, which are optimised using DPO. To further improve training, we propose a novel multi-round DPO (MrDPO) approach, which involves periodically updating the DPO reference model, merging and re-initialising the LoRA module as a proxy for parameter updates after each training round (1,000 steps), and incorporating guidance from ground-truth video captions to stabilise the process. Experimental results show that MrDPO significantly enhances video-SALMONN 2's captioning accuracy, reducing the captioning error rates by 28\%. The final video-SALMONN 2 model, with just 7 billion parameters, surpasses leading models such as GPT-4o and Gemini-1.5-Pro in video captioning tasks, while maintaining highly competitive performance to the state-of-the-art on widely used video question-answering benchmarks among models of similar size. Codes are available at \href{https://github.com/bytedance/video-SALMONN-2}{https://github.com/bytedance/video-SALMONN-2}.
☆ MinosEval: Distinguishing Factoid and Non-Factoid for Tailored Open-Ended QA Evaluation with LLMs
Open-ended question answering (QA) is a key task for evaluating the capabilities of large language models (LLMs). Compared to closed-ended QA, it demands longer answer statements, more nuanced reasoning processes, and diverse expressions, making refined and interpretable automatic evaluation both crucial and challenging. Traditional metrics like ROUGE and BERTScore struggle to capture semantic similarities due to different patterns between model responses and reference answers. Current LLM-based evaluation approaches, such as pairwise or listwise comparisons of candidate answers, lack intuitive interpretability. While pointwise scoring of each response provides some descriptions, it fails to adapt across different question contents. Most notably, existing methods overlook the distinction between factoid and non-factoid questions. To address these challenges, we propose \textbf{MinosEval}, a novel evaluation method that first distinguishes open-ended questions and then ranks candidate answers using different evaluation strategies. For factoid questions, it applies an adaptive key-point scoring strategy, while for non-factoid questions, it uses an instance-aware listwise ranking strategy. Experiments on multiple open-ended QA datasets, including self-built ones with more candidate responses to complement community resources, show that MinosEval better aligns with human annotations and offers more interpretable results.
☆ ProtoReasoning: Prototypes as the Foundation for Generalizable Reasoning in LLMs
Recent advances in Large Reasoning Models (LRMs) trained with Long Chain-of-Thought (Long CoT) reasoning have demonstrated remarkable cross-domain generalization capabilities. However, the underlying mechanisms supporting such transfer remain poorly understood. We hypothesize that cross-domain generalization arises from shared abstract reasoning prototypes -- fundamental reasoning patterns that capture the essence of problems across domains. These prototypes minimize the nuances of the representation, revealing that seemingly diverse tasks are grounded in shared reasoning structures.Based on this hypothesis, we propose ProtoReasoning, a framework that enhances the reasoning ability of LLMs by leveraging scalable and verifiable prototypical representations (Prolog for logical reasoning, PDDL for planning).ProtoReasoning features: (1) an automated prototype construction pipeline that transforms problems into corresponding prototype representations; (2) a comprehensive verification system providing reliable feedback through Prolog/PDDL interpreters; (3) the scalability to synthesize problems arbitrarily within prototype space while ensuring correctness. Extensive experiments show that ProtoReasoning achieves 4.7% improvement over baseline models on logical reasoning (Enigmata-Eval), 6.3% improvement on planning tasks, 4.0% improvement on general reasoning (MMLU) and 1.0% on mathematics (AIME24). Significantly, our ablation studies confirm that learning in prototype space also demonstrates enhanced generalization to structurally similar problems compared to training solely on natural language representations, validating our hypothesis that reasoning prototypes serve as the foundation for generalizable reasoning in large language models.
☆ A Comparative Study of Task Adaptation Techniques of Large Language Models for Identifying Sustainable Development Goals
In 2012, the United Nations introduced 17 Sustainable Development Goals (SDGs) aimed at creating a more sustainable and improved future by 2030. However, tracking progress toward these goals is difficult because of the extensive scale and complexity of the data involved. Text classification models have become vital tools in this area, automating the analysis of vast amounts of text from a variety of sources. Additionally, large language models (LLMs) have recently proven indispensable for many natural language processing tasks, including text classification, thanks to their ability to recognize complex linguistic patterns and semantics. This study analyzes various proprietary and open-source LLMs for a single-label, multi-class text classification task focused on the SDGs. Then, it also evaluates the effectiveness of task adaptation techniques (i.e., in-context learning approaches), namely Zero-Shot and Few-Shot Learning, as well as Fine-Tuning within this domain. The results reveal that smaller models, when optimized through prompt engineering, can perform on par with larger models like OpenAI's GPT (Generative Pre-trained Transformer).
comment: Submitted to IEEE Access
☆ Emergence of Primacy and Recency Effect in Mamba: A Mechanistic Point of View
We study memory in state-space language models using primacy and recency effects as behavioral tools to uncover how information is retained and forgotten over time. Applying structured recall tasks to the Mamba architecture, we observe a consistent U-shaped accuracy profile, indicating strong performance at the beginning and end of input sequences. We identify three mechanisms that give rise to this pattern. First, long-term memory is supported by a sparse subset of channels within the model's selective state space block, which persistently encode early input tokens and are causally linked to primacy effects. Second, short-term memory is governed by delta-modulated recurrence: recent inputs receive more weight due to exponential decay, but this recency advantage collapses when distractor items are introduced, revealing a clear limit to memory depth. Third, we find that memory allocation is dynamically modulated by semantic regularity: repeated relations in the input sequence shift the delta gating behavior, increasing the tendency to forget intermediate items. We validate these findings via targeted ablations and input perturbations on two large-scale Mamba-based language models: one with 1.4B and another with 7B parameters.
☆ SonicVerse: Multi-Task Learning for Music Feature-Informed Captioning
Detailed captions that accurately reflect the characteristics of a music piece can enrich music databases and drive forward research in music AI. This paper introduces a multi-task music captioning model, SonicVerse, that integrates caption generation with auxiliary music feature detection tasks such as key detection, vocals detection, and more, so as to directly capture both low-level acoustic details as well as high-level musical attributes. The key contribution is a projection-based architecture that transforms audio input into language tokens, while simultaneously detecting music features through dedicated auxiliary heads. The outputs of these heads are also projected into language tokens, to enhance the captioning input. This framework not only produces rich, descriptive captions for short music fragments but also directly enables the generation of detailed time-informed descriptions for longer music pieces, by chaining the outputs using a large-language model. To train the model, we extended the MusicBench dataset by annotating it with music features using MIRFLEX, a modular music feature extractor, resulting in paired audio, captions and music feature data. Experimental results show that incorporating features in this way improves the quality and detail of the generated captions.
comment: 14 pages, 2 figures, Accepted to AIMC 2025
☆ Thunder-Tok: Minimizing Tokens per Word in Tokenizing Korean Texts for Generative Language Models
This paper introduces Thunder-Tok, a new Korean tokenizer designed to reduce token fertility without compromising model performance. Our approach uses a rule-based pre-tokenization method that aligns with the linguistic structure of the Korean language. We also create a seed vocabulary containing tokens that resemble linguistic units and employ a branching entropy-based selection algorithm. These techniques increase the average token length, thus lowering fertility while preserving linguistic information. Experimental results indicate that Thunder-Tok reduces fertility by approximately 10% (i.e., reduces the number of tokens by 10%, improving the inference speed by 10%) compared to BPE without compromising performance across various downstream tasks. These findings demonstrate that our linguistically informed approach is effective and practical for designing efficient tokenizers for language models.
☆ Modeling the One-to-Many Property in Open-Domain Dialogue with LLMs
Open-domain Dialogue (OD) exhibits a one-to-many (o2m) property, whereby multiple appropriate responses exist for a single dialogue context. Despite prior research showing that modeling this property boosts response diversity, most modern LLM-based dialogue agents do not explicitly do so. In this work, we model the o2m property of OD in LLMs by decomposing OD generation into two key tasks: Multi-Response Generation (MRG) and Preference-based Selection (PS), which entail generating a set of n semantically and lexically diverse high-quality responses for a given dialogue context, followed by selecting a single response based on human preference, respectively. To facilitate MRG and PS, we introduce o2mDial, a dialogue corpus explicitly designed to capture the o2m property by featuring multiple plausible responses for each context. Leveraging o2mDial, we propose new in-context learning and instruction-tuning strategies, as well as novel evaluation metrics for MRG, alongside a model-based approach for PS. Empirical results demonstrate that applying the proposed two-stage framework to smaller LLMs for OD generation enhances overall response diversity while maintaining contextual coherence, improving response quality by up to 90%, bringing them closer to the performance of larger models.
☆ CKD-EHR:Clinical Knowledge Distillation for Electronic Health Records
Electronic Health Records (EHR)-based disease prediction models have demonstrated significant clinical value in promoting precision medicine and enabling early intervention. However, existing large language models face two major challenges: insufficient representation of medical knowledge and low efficiency in clinical deployment. To address these challenges, this study proposes the CKD-EHR (Clinical Knowledge Distillation for EHR) framework, which achieves efficient and accurate disease risk prediction through knowledge distillation techniques. Specifically, the large language model Qwen2.5-7B is first fine-tuned on medical knowledge-enhanced data to serve as the teacher model.It then generates interpretable soft labels through a multi-granularity attention distillation mechanism. Finally, the distilled knowledge is transferred to a lightweight BERT student model. Experimental results show that on the MIMIC-III dataset, CKD-EHR significantly outperforms the baseline model:diagnostic accuracy is increased by 9%, F1-score is improved by 27%, and a 22.2 times inference speedup is achieved. This innovative solution not only greatly improves resource utilization efficiency but also significantly enhances the accuracy and timeliness of diagnosis, providing a practical technical approach for resource optimization in clinical settings. The code and data for this research are available athttps://github.com/209506702/CKD_EHR.
comment: 20 pages,5 figures
☆ Improving Dialogue Discourse Parsing through Discourse-aware Utterance Clarification ACL2025
Dialogue discourse parsing aims to identify and analyze discourse relations between the utterances within dialogues. However, linguistic features in dialogues, such as omission and idiom, frequently introduce ambiguities that obscure the intended discourse relations, posing significant challenges for parsers. To address this issue, we propose a Discourse-aware Clarification Module (DCM) to enhance the performance of the dialogue discourse parser. DCM employs two distinct reasoning processes: clarification type reasoning and discourse goal reasoning. The former analyzes linguistic features, while the latter distinguishes the intended relation from the ambiguous one. Furthermore, we introduce Contribution-aware Preference Optimization (CPO) to mitigate the risk of erroneous clarifications, thereby reducing cascading errors. CPO enables the parser to assess the contributions of the clarifications from DCM and provide feedback to optimize the DCM, enhancing its adaptability and alignment with the parser's requirements. Extensive experiments on the STAC and Molweni datasets demonstrate that our approach effectively resolves ambiguities and significantly outperforms the state-of-the-art (SOTA) baselines.
comment: Accepted by ACL2025(main conference)
☆ Learning-Time Encoding Shapes Unlearning in LLMs
As large language models (LLMs) are increasingly deployed in the real world, the ability to ``unlearn'', or remove specific pieces of knowledge post hoc, has become essential for a variety of reasons ranging from privacy regulations to correcting outdated or harmful content. Prior work has proposed unlearning benchmarks and algorithms, and has typically assumed that the training process and the target model are fixed. In this work, we empirically investigate how learning-time choices in knowledge encoding impact the effectiveness of unlearning factual knowledge. Our experiments reveal two key findings: (1) learning with paraphrased descriptions improves unlearning performance and (2) unlearning individual piece of knowledge from a chunk of text is challenging. Our results suggest that learning-time knowledge encoding may play a central role in enabling reliable post-hoc unlearning.
♻ ☆ Aug2Search: Enhancing Facebook Marketplace Search with LLM-Generated Synthetic Data Augmentation
Embedding-Based Retrieval (EBR) is an important technique in modern search engines, enabling semantic match between search queries and relevant results. However, search logging data on platforms like Facebook Marketplace lacks the diversity and details needed for effective EBR model training, limiting the models' ability to capture nuanced search patterns. To address this challenge, we propose Aug2Search, an EBR-based framework leveraging synthetic data generated by Generative AI (GenAI) models, in a multimodal and multitask approach to optimize query-product relevance. This paper investigates the capabilities of GenAI, particularly Large Language Models (LLMs), in generating high-quality synthetic data, and analyzing its impact on enhancing EBR models. We conducted experiments using eight Llama models and 100 million data points from Facebook Marketplace logs. Our synthetic data generation follows three strategies: (1) generate queries, (2) enhance product listings, and (3) generate queries from enhanced listings. We train EBR models on three different datasets: sampled engagement data or original data ((e.g., "Click" and "Listing Interactions")), synthetic data, and a mixture of both engagement and synthetic data to assess their performance across various training sets. Our findings underscore the robustness of Llama models in producing synthetic queries and listings with high coherence, relevance, and diversity, while maintaining low levels of hallucination. Aug2Search achieves an improvement of up to 4% in ROC_AUC with 100 million synthetic data samples, demonstrating the effectiveness of our approach. Moreover, our experiments reveal that with the same volume of training data, models trained exclusively on synthetic data often outperform those trained on original data only or a mixture of original and synthetic data.
♻ ☆ J4R: Learning to Judge with Equivalent Initial State Group Relative Policy Optimization
To keep pace with the increasing pace of large language models (LLM) development, model output evaluation has transitioned away from time-consuming human evaluation to automatic evaluation, where LLMs themselves are tasked with assessing and critiquing other model outputs. LLM-as-judge models are a class of generative evaluators that excel in evaluating relatively simple domains, like chat quality, but struggle in reasoning intensive domains where model responses contain more substantive and challenging content. To remedy existing judge shortcomings, we explore training judges with reinforcement learning (RL). We make three key contributions: (1) We propose the Equivalent Initial State Group Relative Policy Optimization (EIS-GRPO) algorithm, which allows us to train our judge to be robust to positional biases that arise in more complex evaluation settings. (2) We introduce ReasoningJudgeBench, a benchmark that evaluates judges in diverse reasoning settings not covered by prior work. (3) We train Judge for Reasoning (J4R), a 7B judge trained with EIS-GRPO that outperforms GPT-4o and the next best small judge by 6.7% and 9%, matching or exceeding the performance of larger GRPO-trained judges on both JudgeBench and ReasoningJudgeBench.
comment: 25 pages, 4 figures, 6 tables. Updated with code and benchmark
♻ ☆ A Guide to Misinformation Detection Data and Evaluation
Misinformation is a complex societal issue, and mitigating solutions are difficult to create due to data deficiencies. To address this, we have curated the largest collection of (mis)information datasets in the literature, totaling 75. From these, we evaluated the quality of 36 datasets that consist of statements or claims, as well as the 9 datasets that consist of data in purely paragraph form. We assess these datasets to identify those with solid foundations for empirical work and those with flaws that could result in misleading and non-generalizable results, such as spurious correlations, or examples that are ambiguous or otherwise impossible to assess for veracity. We find the latter issue is particularly severe and affects most datasets in the literature. We further provide state-of-the-art baselines on all these datasets, but show that regardless of label quality, categorical labels may no longer give an accurate evaluation of detection model performance. Finally, we propose and highlight Evaluation Quality Assurance (EQA) as a tool to guide the field toward systemic solutions rather than inadvertently propagating issues in evaluation. Overall, this guide aims to provide a roadmap for higher quality data and better grounded evaluations, ultimately improving research in misinformation detection. All datasets and other artifacts are available at misinfo-datasets.complexdatalab.com.
♻ ☆ Router-R1: Teaching LLMs Multi-Round Routing and Aggregation via Reinforcement Learning
The rapid emergence of diverse large language models (LLMs) has spurred the development of LLM routers that assign user queries to the most suitable model. However, existing LLM routers typically perform a single-round, one-to-one mapping (\textit{i.e.}, assigning each query to a single model in isolation), which limits their capability to tackle complex tasks that demand the complementary strengths of multiple LLMs. In this paper, we present \textbf{Router-R1}, a reinforcement learning (RL)-based framework that formulates multi-LLM routing and aggregation as a sequential decision process. Router-R1 instantiates the router itself as a capable LLM, leveraging its reasoning ability to interleave "think" actions (internal deliberation) with "route" actions (dynamic model invocation), and integrates each response into its evolving context. To facilitate learning, we employ a lightweight rule-based reward comprising format rewards, final outcome rewards, and a novel cost reward for optimizing the balance between performance and cost, opening a pathway toward enhancing performance-cost trade-offs via RL. Router-R1 also conditions only on simple model descriptors such as pricing, latency, and example performance, enabling strong generalization to unseen model selection. Experiments on seven general and multi-hop QA benchmarks show that Router-R1 outperforms several strong baselines, achieving superior performance while maintaining robust generalization and cost management.
comment: Code is available at https://github.com/ulab-uiuc/Router-R1. Models and Datasets are available at https://huggingface.co/collections/ulab-ai/router-r1-6851bbe099c7a56914b5db03
♻ ☆ Lean Workbook: A large-scale Lean problem set formalized from natural language math problems
Large language models have demonstrated impressive capabilities across various natural language processing tasks, especially in solving mathematical problems. However, large language models are not good at math theorem proving using formal languages like Lean. A significant challenge in this area is the scarcity of training data available in these formal languages. To address this issue, we propose a novel pipeline that iteratively generates and filters synthetic data to translate natural language mathematical problems into Lean 4 statements, and vice versa. Our results indicate that the synthetic data pipeline can provide useful training data and improve the performance of LLMs in translating and understanding complex mathematical problems and proofs. Our final dataset contains about 57K formal-informal question pairs along with searched proof from the math contest forum and 21 new IMO questions. We open-source our code at https://github.com/InternLM/InternLM-Math and our data at https://huggingface.co/datasets/InternLM/Lean-Workbook.
♻ ☆ Fractured Chain-of-Thought Reasoning
Inference-time scaling techniques have significantly bolstered the reasoning capabilities of large language models (LLMs) by harnessing additional computational effort at inference without retraining. Similarly, Chain-of-Thought (CoT) prompting and its extension, Long CoT, improve accuracy by generating rich intermediate reasoning trajectories, but these approaches incur substantial token costs that impede their deployment in latency-sensitive settings. In this work, we first show that truncated CoT, which stops reasoning before completion and directly generates the final answer, often matches full CoT sampling while using dramatically fewer tokens. Building on this insight, we introduce Fractured Sampling, a unified inference-time strategy that interpolates between full CoT and solution-only sampling along three orthogonal axes: (1) the number of reasoning trajectories, (2) the number of final solutions per trajectory, and (3) the depth at which reasoning traces are truncated. Through extensive experiments on five diverse reasoning benchmarks and several model scales, we demonstrate that Fractured Sampling consistently achieves superior accuracy-cost trade-offs, yielding steep log-linear scaling gains in Pass@k versus token budget. Our analysis reveals how to allocate computation across these dimensions to maximize performance, paving the way for more efficient and scalable LLM reasoning. Code is available at https://github.com/BaohaoLiao/frac-cot.
♻ ☆ How much do language models memorize?
We propose a new method for estimating how much a model knows about a datapoint and use it to measure the capacity of modern language models. Prior studies of language model memorization have struggled to disentangle memorization from generalization. We formally separate memorization into two components: unintended memorization, the information a model contains about a specific dataset, and generalization, the information a model contains about the true data-generation process. When we completely eliminate generalization, we can compute the total memorization, which provides an estimate of model capacity: our measurements estimate that GPT-style models have a capacity of approximately 3.6 bits per parameter. We train language models on datasets of increasing size and observe that models memorize until their capacity fills, at which point "grokking" begins, and unintended memorization decreases as models begin to generalize. We train hundreds of transformer language models ranging from $500K$ to $1.5B$ parameters and produce a series of scaling laws relating model capacity and data size to membership inference.
♻ ☆ Pap2Pat: Benchmarking Outline-Guided Long-Text Patent Generation with Patent-Paper Pairs ACL 2025
Dealing with long and highly complex technical text is a challenge for Large Language Models (LLMs), which still have to unfold their potential in supporting expensive and timeintensive processes like patent drafting. Within patents, the description constitutes more than 90% of the document on average. Yet, its automatic generation remains understudied. When drafting patent applications, patent attorneys typically receive invention reports (IRs), which are usually confidential, hindering research on LLM-supported patent drafting. Often, prepublication research papers serve as IRs. We leverage this duality to build PAP2PAT, an open and realistic benchmark for patent drafting consisting of 1.8k patent-paper pairs describing the same inventions. To address the complex longdocument patent generation task, we propose chunk-based outline-guided generation using the research paper as invention specification. Our extensive evaluation using PAP2PAT and a human case study show that LLMs can effectively leverage information from the paper, but still struggle to provide the necessary level of detail. Fine-tuning leads to more patent-style language, but also to more hallucination. We release our data and code https://github.com/boschresearch/Pap2Pat.
comment: ACL 2025 Findings
♻ ☆ RadioRAG: Online Retrieval-augmented Generation for Radiology Question Answering
Large language models (LLMs) often generate outdated or inaccurate information based on static training datasets. Retrieval-augmented generation (RAG) mitigates this by integrating outside data sources. While previous RAG systems used pre-assembled, fixed databases with limited flexibility, we have developed Radiology RAG (RadioRAG), an end-to-end framework that retrieves data from authoritative radiologic online sources in real-time. We evaluate the diagnostic accuracy of various LLMs when answering radiology-specific questions with and without access to additional online information via RAG. Using 80 questions from the RSNA Case Collection across radiologic subspecialties and 24 additional expert-curated questions with reference standard answers, LLMs (GPT-3.5-turbo, GPT-4, Mistral-7B, Mixtral-8x7B, and Llama3 [8B and 70B]) were prompted with and without RadioRAG in a zero-shot inference scenario RadioRAG retrieved context-specific information from Radiopaedia in real-time. Accuracy was investigated. Statistical analyses were performed using bootstrapping. The results were further compared with human performance. RadioRAG improved diagnostic accuracy across most LLMs, with relative accuracy increases ranging up to 54% for different LLMs. It matched or exceeded non-RAG models and the human radiologist in question answering across radiologic subspecialties, particularly in breast imaging and emergency radiology. However, the degree of improvement varied among models; GPT-3.5-turbo and Mixtral-8x7B-instruct-v0.1 saw notable gains, while Mistral-7B-instruct-v0.2 showed no improvement, highlighting variability in RadioRAG's effectiveness. LLMs benefit when provided access to domain-specific data beyond their training data. RadioRAG shows potential to improve LLM accuracy and factuality in radiology question answering by integrating real-time domain-specific data.
comment: Published in Radiology: Artificial Intelligence
♻ ☆ Wait, We Don't Need to "Wait"! Removing Thinking Tokens Improves Reasoning Efficiency
Recent advances in large reasoning models have enabled complex, step-by-step reasoning but often introduce significant overthinking, resulting in verbose and redundant outputs that hinder efficiency. In this study, we examine whether explicit self-reflection, signaled by tokens such as "Wait" and "Hmm", is necessary for advanced reasoning. We propose NoWait, a simple yet effective approach that disables explicit self-reflection by suppressing these tokens during inference. Extensive experiments on ten benchmarks across textual, visual, and video reasoning tasks show that NoWait reduces chain-of-thought trajectory length by up to 27%-51% in five R1-style model series, without compromising model utility. NoWait thus offers a plug-and-play solution for efficient and utility-preserving multimodal reasoning.
♻ ☆ Interchangeable Token Embeddings for Extendable Vocabulary and Alpha-Equivalence ICML 2025
Language models lack the notion of interchangeable tokens: symbols that are semantically equivalent yet distinct, such as bound variables in formal logic. This limitation prevents generalization to larger vocabularies and hinders the model's ability to recognize alpha-equivalence, where renaming bound variables preserves meaning. We formalize this machine learning problem and introduce alpha-covariance, a metric for evaluating robustness to such transformations. To tackle this task, we propose a dual-part token embedding strategy: a shared component ensures semantic consistency, while a randomized component maintains token distinguishability. Compared to a baseline that relies on alpha-renaming for data augmentation, our approach demonstrates improved generalization to unseen tokens in linear temporal logic solving, propositional logic assignment prediction, and copying with an extendable vocabulary, while introducing a favorable inductive bias for alpha-equivalence. Our findings establish a foundation for designing language models that can learn interchangeable token representations, a crucial step toward more flexible and systematic reasoning in formal domains. Our code and project page are available at https://necrashter.github.io/interchangeable-token-embeddings
comment: ICML 2025 Poster Paper, Camera Ready Version
♻ ☆ Adding Chocolate to Mint: Mitigating Metric Interference in Machine Translation
As automatic metrics become increasingly stronger and widely adopted, the risk of unintentionally "gaming the metric" during model development rises. This issue is caused by metric interference (MINT), i.e., the use of the same or related metrics for both model tuning and evaluation. MINT can misguide practitioners into being overoptimistic about the performance of their systems: as system outputs become a function of the interfering metric, their estimated quality loses correlation with human judgments. In this work, we analyze two common cases of MINT in machine translation-related tasks: filtering of training data, and decoding with quality signals. Importantly, we find that MINT strongly distorts instance-level metric scores, even when metrics are not directly optimized for-questioning the common strategy of leveraging a different, yet related metric for evaluation that is not used for tuning. To address this problem, we propose MINTADJUST, a method for more reliable evaluation under MINT. On the WMT24 MT shared task test set, MINTADJUST ranks translations and systems more accurately than state-of-the-art metrics across a majority of language pairs, especially for high-quality systems. Furthermore, MINTADJUST outperforms AUTORANK, the ensembling method used by the organizers.
♻ ☆ Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?
Toxicity remains a leading cause of early-stage drug development failure. Despite advances in molecular design and property prediction, the task of molecular toxicity repair - generating structurally valid molecular alternatives with reduced toxicity - has not yet been systematically defined or benchmarked. To fill this gap, we introduce ToxiMol, the first benchmark task for general-purpose Multimodal Large Language Models (MLLMs) focused on molecular toxicity repair. We construct a standardized dataset covering 11 primary tasks and 560 representative toxic molecules spanning diverse mechanisms and granularities. We design a prompt annotation pipeline with mechanism-aware and task-adaptive capabilities, informed by expert toxicological knowledge. In parallel, we propose an automated evaluation framework, ToxiEval, which integrates toxicity endpoint prediction, synthetic accessibility, drug-likeness, and structural similarity into a high-throughput evaluation chain for repair success. We systematically assess nearly 30 mainstream general-purpose MLLMs and design multiple ablation studies to analyze key factors such as evaluation criteria, candidate diversity, and failure attribution. Experimental results show that although current MLLMs still face significant challenges on this task, they begin to demonstrate promising capabilities in toxicity understanding, semantic constraint adherence, and structure-aware molecule editing.
♻ ☆ OM4OV: Leveraging Ontology Matching for Ontology Versioning
Due to the dynamic nature of the Semantic Web, version control is necessary to capture time-varying information, particularly for widely used ontologies. Despite the long-standing recognition of ontology versioning (OV) as a crucial component for efficient ontology management, the growing size of ontologies and accumulating errors caused by manual labour overwhelm current OV approaches. In this paper, we propose yet another approach to performing OV using existing ontology matching (OM) techniques and systems. We introduce a unified OM4OV pipeline. From an OM perspective, we reconstruct a new task formulation and measurement for OV tasks. Building upon the prior alignment(s) from OM, we propose a pipeline optimisation method called the cross-reference (CR) mechanism to enhance overall OV performance. We experimentally validate the OM4OV pipeline and the cross-reference mechanism in the OV tested originating from the Ontology Alignment Evaluation Initiative (OAEI) datasets. We also discuss insights into OM used for OV tasks, where some false mappings detected by OV systems are not actually untrue.
comment: 15 pages, 8 figures, 1 table
♻ ☆ Probabilistic Aggregation and Targeted Embedding Optimization for Collective Moral Reasoning in Large Language Models ACL 2025
Large Language Models (LLMs) have shown impressive moral reasoning abilities. Yet they often diverge when confronted with complex, multi-factor moral dilemmas. To address these discrepancies, we propose a framework that synthesizes multiple LLMs' moral judgments into a collectively formulated moral judgment, realigning models that deviate significantly from this consensus. Our aggregation mechanism fuses continuous moral acceptability scores (beyond binary labels) into a collective probability, weighting contributions by model reliability. For misaligned models, a targeted embedding-optimization procedure fine-tunes token embeddings for moral philosophical theories, minimizing JS divergence to the consensus while preserving semantic integrity. Experiments on a large-scale social moral dilemma dataset show our approach builds robust consensus and improves individual model fidelity. These findings highlight the value of data-driven moral alignment across multiple models and its potential for safer, more consistent AI systems.
comment: Accepted to ACL 2025 (Findings)
♻ ☆ PsychBench: A comprehensive and professional benchmark for evaluating the performance of LLM-assisted psychiatric clinical practice
The advent of Large Language Models (LLMs) offers potential solutions to address problems such as shortage of medical resources and low diagnostic consistency in psychiatric clinical practice. Despite this potential, a robust and comprehensive benchmarking framework to assess the efficacy of LLMs in authentic psychiatric clinical environments is absent. This has impeded the advancement of specialized LLMs tailored to psychiatric applications. In response to this gap, by incorporating clinical demands in psychiatry and clinical data, we proposed a benchmarking system, PsychBench, to evaluate the practical performance of LLMs in psychiatric clinical settings. We conducted a comprehensive quantitative evaluation of 16 LLMs using PsychBench, and investigated the impact of prompt design, chain-of-thought reasoning, input text length, and domain-specific knowledge fine-tuning on model performance. Through detailed error analysis, we identified strengths and potential limitations of the existing models and suggested directions for improvement. Subsequently, a clinical reader study involving 60 psychiatrists of varying seniority was conducted to further explore the practical benefits of existing LLMs as supportive tools for psychiatrists of varying seniority. Through the quantitative and reader evaluation, we show that while existing models demonstrate significant potential, they are not yet adequate as decision-making tools in psychiatric clinical practice. The reader study further indicates that, as an auxiliary tool, LLM could provide particularly notable support for junior psychiatrists, effectively enhancing their work efficiency and overall clinical quality. To promote research in this area, we will make the dataset and evaluation framework publicly available, with the hope of advancing the application of LLMs in psychiatric clinical settings.
♻ ☆ PEDANTIC: A Dataset for the Automatic Examination of Definiteness in Patent Claims
Patent claims define the scope of protection for an invention. If there are ambiguities in a claim, it is rejected by the patent office. In the US, this is referred to as indefiniteness (35 U.S.C {\S} 112(b)) and is among the most frequent reasons for patent application rejection. The development of automatic methods for patent definiteness examination has the potential to make patent drafting and examination more efficient, but no annotated dataset has been published to date. We introduce PEDANTIC (Patent Definiteness Examination Corpus), a novel dataset of 14k US patent claims from patent applications relating to Natural Language Processing (NLP), annotated with reasons for indefiniteness. We construct PEDANTIC using a fully automatic pipeline that retrieves office action documents from the USPTO and uses Large Language Models (LLMs) to extract the reasons for indefiniteness. A human validation study confirms the pipeline's accuracy in generating high-quality annotations. To gain insight beyond binary classification metrics, we implement an LLM-as-Judge evaluation that compares the free-form reasoning of every model-cited reason with every examiner-cited reason. We show that LLM agents based on Qwen 2.5 32B and 72B struggle to outperform logistic regression baselines on definiteness prediction, even though they often correctly identify the underlying reasons. PEDANTIC provides a valuable resource for patent AI researchers, enabling the development of advanced examination models. We will publicly release the dataset and code.
comment: PatentSemTech@SIGIR2025
♻ ☆ GreekBarBench: A Challenging Benchmark for Free-Text Legal Reasoning and Citations
We introduce GreekBarBench, a benchmark that evaluates LLMs on legal questions across five different legal areas from the Greek Bar exams, requiring citations to statutory articles and case facts. To tackle the challenges of free-text evaluation, we propose a three-dimensional scoring system combined with an LLM-as-a-judge approach. We also develop a meta-evaluation benchmark to assess the correlation between LLM-judges and human expert evaluations, revealing that simple, span-based rubrics improve their alignment. Our systematic evaluation of 13 proprietary and open-weight LLMs shows that even though the best models outperform average expert scores, they fall short of the 95th percentile of experts.
comment: 19 pages, 17 figures, submitted to May ARR
♻ ☆ AIn't Nothing But a Survey? Using Large Language Models for Coding German Open-Ended Survey Responses on Survey Motivation
The recent development and wider accessibility of LLMs have spurred discussions about how they can be used in survey research, including classifying open-ended survey responses. Due to their linguistic capacities, it is possible that LLMs are an efficient alternative to time-consuming manual coding and the pre-training of supervised machine learning models. As most existing research on this topic has focused on English-language responses relating to non-complex topics or on single LLMs, it is unclear whether its findings generalize and how the quality of these classifications compares to established methods. In this study, we investigate to what extent different LLMs can be used to code open-ended survey responses in other contexts, using German data on reasons for survey participation as an example. We compare several state-of-the-art LLMs and several prompting approaches, and evaluate the LLMs' performance by using human expert codings. Overall performance differs greatly between LLMs, and only a fine-tuned LLM achieves satisfactory levels of predictive performance. Performance differences between prompting approaches are conditional on the LLM used. Finally, LLMs' unequal classification performance across different categories of reasons for survey participation results in different categorical distributions when not using fine-tuning. We discuss the implications of these findings, both for methodological research on coding open-ended responses and for their substantive analysis, and for practitioners processing or substantively analyzing such data. Finally, we highlight the many trade-offs researchers need to consider when choosing automated methods for open-ended response classification in the age of LLMs. In doing so, our study contributes to the growing body of research about the conditions under which LLMs can be efficiently, accurately, and reliably leveraged in survey research.
comment: to appear in Survey Research Methods
♻ ☆ HiURE: Hierarchical Exemplar Contrastive Learning for Unsupervised Relation Extraction NAACL 2022
Unsupervised relation extraction aims to extract the relationship between entities from natural language sentences without prior information on relational scope or distribution. Existing works either utilize self-supervised schemes to refine relational feature signals by iteratively leveraging adaptive clustering and classification that provoke gradual drift problems, or adopt instance-wise contrastive learning which unreasonably pushes apart those sentence pairs that are semantically similar. To overcome these defects, we propose a novel contrastive learning framework named HiURE, which has the capability to derive hierarchical signals from relational feature space using cross hierarchy attention and effectively optimize relation representation of sentences under exemplar-wise contrastive learning. Experimental results on two public datasets demonstrate the advanced effectiveness and robustness of HiURE on unsupervised relation extraction when compared with state-of-the-art models.
comment: In NAACL 2022 as a long paper. Code and data available at https://github.com/THU-BPM/HiURE
♻ ☆ The Avengers: A Simple Recipe for Uniting Smaller Language Models to Challenge Proprietary Giants
Proprietary giants are increasingly dominating the race for ever-larger language models. Can open-source, smaller models remain competitive across a broad range of tasks? In this paper, we present the Avengers -- a simple recipe that leverages the collective intelligence of these smaller models. The Avengers builds upon four lightweight operations: (i) embedding: encode queries using a text embedding model; (ii) clustering: group queries based on their semantic similarity; (iii) scoring: scores each model's performance within each cluster; and (iv) voting: improve outputs via repeated sampling and voting. At inference time, each query is embedded and assigned to its nearest cluster. The top-performing model(s) within that cluster are selected to generate the response with repeated sampling. Remarkably, with 10 open-source models (~7B parameters each), the Avengers surpasses GPT-4o, 4.1, and 4.5 in average performance across 15 diverse datasets spanning mathematics, coding, logical reasoning, general knowledge, and affective tasks. In particular, it surpasses GPT-4.1 on mathematics tasks by 18.21% and on code tasks by 7.46%. Furthermore, the Avengers delivers superior out-of-distribution generalization, and remains robust across various embedding models, clustering algorithms, ensemble strategies, and values of its sole parameter -- the number of clusters.
comment: 9 pages, 4 figures, 6 tables, supplementary material (appendix) included separately
♻ ☆ An Effective Incorporating Heterogeneous Knowledge Curriculum Learning for Sequence Labeling ACL 2025
Sequence labeling models often benefit from incorporating external knowledge. However, this practice introduces data heterogeneity and complicates the model with additional modules, leading to increased expenses for training a high-performing model. To address this challenge, we propose a two-stage curriculum learning (TCL) framework specifically designed for sequence labeling tasks. The TCL framework enhances training by gradually introducing data instances from easy to hard, aiming to improve both performance and training speed. Furthermore, we explore different metrics for assessing the difficulty levels of sequence labeling tasks. Through extensive experimentation on six Chinese word segmentation (CWS) and Part-of-speech tagging (POS) datasets, we demonstrate the effectiveness of our model in enhancing the performance of sequence labeling models. Additionally, our analysis indicates that TCL accelerates training and alleviates the slow training problem associated with complex models.
comment: 10 pages, 9 tables, 3 figures, Accepted by ACL 2025 (short paper)
♻ ☆ Large Language Models for Automated Literature Review: An Evaluation of Reference Generation, Abstract Writing, and Review Composition
Large language models (LLMs) have emerged as a potential solution to automate the complex processes involved in writing literature reviews, such as literature collection, organization, and summarization. However, it is yet unclear how good LLMs are at automating comprehensive and reliable literature reviews. This study introduces a framework to automatically evaluate the performance of LLMs in three key tasks of literature writing: reference generation, literature summary, and literature review composition. We introduce multidimensional evaluation metrics that assess the hallucination rates in generated references and measure the semantic coverage and factual consistency of the literature summaries and compositions against human-written counterparts. The experimental results reveal that even the most advanced models still generate hallucinated references, despite recent progress. Moreover, we observe that the performance of different models varies across disciplines when it comes to writing literature reviews. These findings highlight the need for further research and development to improve the reliability of LLMs in automating academic literature reviews.
comment: 12 pages, 5 figures, 5 tables
♻ ☆ Aligning AI Research with the Needs of Clinical Coding Workflows: Eight Recommendations Based on US Data Analysis and Critical Review ACL 2025
Clinical coding is crucial for healthcare billing and data analysis. Manual clinical coding is labour-intensive and error-prone, which has motivated research towards full automation of the process. However, our analysis, based on US English electronic health records and automated coding research using these records, shows that widely used evaluation methods are not aligned with real clinical contexts. For example, evaluations that focus on the top 50 most common codes are an oversimplification, as there are thousands of codes used in practice. This position paper aims to align AI coding research more closely with practical challenges of clinical coding. Based on our analysis, we offer eight specific recommendations, suggesting ways to improve current evaluation methods. Additionally, we propose new AI-based methods beyond automated coding, suggesting alternative approaches to assist clinical coders in their workflows.
comment: Accepted to the ACL 2025 Main Conference
♻ ☆ Dynamic Acoustic Model Architecture Optimization in Training for ASR
Architecture design is inherently complex. Existing approaches rely on either handcrafted rules, which demand extensive empirical expertise, or automated methods like neural architecture search, which are computationally intensive. In this paper, we introduce DMAO, an architecture optimization framework that employs a grow-and-drop strategy to automatically reallocate parameters during training. This reallocation shifts resources from less-utilized areas to those parts of the model where they are most beneficial. Notably, DMAO only introduces negligible training overhead at a given model complexity. We evaluate DMAO through experiments with CTC on LibriSpeech, TED-LIUM-v2 and Switchboard datasets. The results show that, using the same amount of training resources, our proposed DMAO consistently improves WER by up to 6% relatively across various architectures, model sizes, and datasets. Furthermore, we analyze the pattern of parameter redistribution and uncover insightful findings.
comment: Accepted by Interspeech 2025
♻ ☆ Robust Utility-Preserving Text Anonymization Based on Large Language Models ACL'2025
Anonymizing text that contains sensitive information is crucial for a wide range of applications. Existing techniques face the emerging challenges of the re-identification ability of large language models (LLMs), which have shown advanced capability in memorizing detailed information and reasoning over dispersed pieces of patterns to draw conclusions. When defending against LLM-based re-identification, anonymization could jeopardize the utility of the resulting anonymized data in downstream tasks. In general, the interaction between anonymization and data utility requires a deeper understanding within the context of LLMs. In this paper, we propose a framework composed of three key LLM-based components: a privacy evaluator, a utility evaluator, and an optimization component, which work collaboratively to perform anonymization. Extensive experiments demonstrate that the proposed model outperforms existing baselines, showing robustness in reducing the risk of re-identification while preserving greater data utility in downstream tasks. We provide detailed studies on these core modules. To consider large-scale and real-time applications, we investigate the distillation of the anonymization capabilities into lightweight models. All of our code and datasets will be made publicly available at https://github.com/UKPLab/acl2025-rupta.
comment: Accepted by ACL'2025 Main Conference
♻ ☆ TSLFormer: A Lightweight Transformer Model for Turkish Sign Language Recognition Using Skeletal Landmarks
This study presents TSLFormer, a light and robust word-level Turkish Sign Language (TSL) recognition model that treats sign gestures as ordered, string-like language. Instead of using raw RGB or depth videos, our method only works with 3D joint positions - articulation points - extracted using Google's Mediapipe library, which focuses on the hand and torso skeletal locations. This creates efficient input dimensionality reduction while preserving important semantic gesture information. Our approach revisits sign language recognition as sequence-to-sequence translation, inspired by the linguistic nature of sign languages and the success of transformers in natural language processing. Since TSLFormer uses the self-attention mechanism, it effectively captures temporal co-occurrence within gesture sequences and highlights meaningful motion patterns as words unfold. Evaluated on the AUTSL dataset with over 36,000 samples and 227 different words, TSLFormer achieves competitive performance with minimal computational cost. These results show that joint-based input is sufficient for enabling real-time, mobile, and assistive communication systems for hearing-impaired individuals.
♻ ☆ BIS Reasoning 1.0: The First Large-Scale Japanese Benchmark for Belief-Inconsistent Syllogistic Reasoning
We present BIS Reasoning 1.0, the first large-scale Japanese dataset of syllogistic reasoning problems explicitly designed to evaluate belief-inconsistent reasoning in large language models (LLMs). Unlike prior datasets such as NeuBAROCO and JFLD, which focus on general or belief-aligned reasoning, BIS Reasoning 1.0 introduces logically valid yet belief-inconsistent syllogisms to uncover reasoning biases in LLMs trained on human-aligned corpora. We benchmark state-of-the-art models - including GPT models, Claude models, and leading Japanese LLMs - revealing significant variance in performance, with GPT-4o achieving 79.54% accuracy. Our analysis identifies critical weaknesses in current LLMs when handling logically valid but belief-conflicting inputs. These findings have important implications for deploying LLMs in high-stakes domains such as law, healthcare, and scientific literature, where truth must override intuitive belief to ensure integrity and safety.
comment: This version includes an updated literature review, added acknowledgements, and a revised author list
♻ ☆ A Systematic Survey of Natural Language Processing for the Greek Language
Comprehensive monolingual Natural Language Processing (NLP) surveys are essential for assessing language-specific challenges, resource availability, and research gaps. However, existing surveys often lack standardized methodologies, leading to selection bias and fragmented coverage of NLP tasks and resources. This study introduces a generalizable framework for systematic monolingual NLP surveys. Our approach integrates a structured search protocol to minimize bias, an NLP task taxonomy for classification, and language resource taxonomies to identify potential benchmarks and highlight opportunities for improving resource availability. We apply this framework to Greek NLP (2012-2023), providing an in-depth analysis of its current state, task-specific progress, and resource gaps. The survey results are publicly available (https://doi.org/10.5281/zenodo.15314882) and are regularly updated to provide an evergreen resource. This systematic survey of Greek NLP serves as a case study, demonstrating the effectiveness of our framework and its potential for broader application to other not so well-resourced languages as regards NLP.
comment: This version matches the paper published in Patterns (Cell Press). The title has been updated to reflect the published version
♻ ☆ Seewo's Submission to MLC-SLM: Lessons learned from Speech Reasoning Language Models
This paper presents Seewo's systems for both tracks of the Multilingual Conversational Speech Language Model Challenge (MLC-SLM), addressing automatic speech recognition (ASR) and speaker diarization with ASR (SD-ASR). We introduce a multi-stage training pipeline that explicitly enhances reasoning and self-correction in speech language models for ASR. Our approach combines curriculum learning for progressive capability acquisition, Chain-of-Thought data augmentation to foster intermediate reflection, and Reinforcement Learning with Verifiable Rewards (RLVR) to further refine self-correction through reward-driven optimization. This approach achieves substantial improvements over the official challenge baselines. On the evaluation set, our best system attains a WER/CER of 11.57% for Track 1 and a tcpWER/tcpCER of 17.67% for Track 2. Comprehensive ablation studies demonstrate the effectiveness of each component under challenge constraints.
♻ ☆ LLäMmlein: Transparent, Compact and Competitive German-Only Language Models from Scratch ACL25
We create two German-only decoder models, LL\"aMmlein 120M and 1B, transparently from scratch and publish them, along with the training data, for the German NLP research community to use. The model training involved several key steps, including extensive data preprocessing, the creation of a custom German tokenizer, the training itself, as well as the evaluation of the final models on various benchmarks. Throughout the training process, multiple checkpoints were saved and analyzed using the SuperGLEBer benchmark to monitor the models' learning dynamics. Compared to state-of-the-art models on the SuperGLEBer benchmark, both LL\"aMmlein models performed competitively, consistently matching or surpassing models with similar parameter sizes. The results show that the models' quality scales with size as expected, but performance improvements on some tasks plateaued early, offering valuable insights into resource allocation for future model development.
comment: camera ready @ACL25; https://www.informatik.uni-wuerzburg.de/datascience/projects/nlp/llammlein/
♻ ☆ Enhancing Goal-oriented Proactive Dialogue Systems via Consistency Reflection and Correction ACL'25
Goal-oriented proactive dialogue systems are designed to guide user conversations seamlessly towards specific objectives by planning a goal-oriented path. However, previous research has focused predominantly on optimizing these paths while neglecting the inconsistencies that may arise between generated responses and dialogue contexts, including user profiles, dialogue history, domain knowledge, and subgoals. To address this issue, we introduce a model-agnostic two-stage Consistency Reflection and Correction (CRC) framework. Specifically, in the consistency reflection stage, the model is prompted to reflect on the discrepancies between generated responses and dialogue contexts, identifying inconsistencies and suggesting possible corrections. In the consistency correction stage, the model generates responses that are more consistent with the dialogue context based on these reflection results. We conducted experiments on various model architectures with different parameter sizes, including encoder-decoder models (BART, T5) and decoder-only models (GPT-2, DialoGPT, Phi3, Mistral and LLaMA3), and the experimental results on three datasets demonstrate that our CRC framework significantly improves the consistency between generated responses and dialogue contexts.
comment: Accepted by ACL'25 (main conference)
♻ ☆ Efficient Long CoT Reasoning in Small Language Models
Recent large reasoning models such as DeepSeek-R1 exhibit strong complex problems solving abilities by generating long chain-of-thought (CoT) reasoning steps. It is challenging to directly train small language models (SLMs) to emerge long CoT. Thus, distillation becomes a practical method to enable SLMs for such reasoning ability. However, the long CoT often contains a lot of redundant contents (e.g., overthinking steps) which may make SLMs hard to learn considering their relatively poor capacity and generalization. To address this issue, we propose a simple-yet-effective method to prune unnecessary steps in long CoT, and then employ an on-policy method for the SLM itself to curate valid and useful long CoT training data. In this way, SLMs can effectively learn efficient long CoT reasoning and preserve competitive performance at the same time. Experimental results across a series of mathematical reasoning benchmarks demonstrate the effectiveness of the proposed method in distilling long CoT reasoning ability into SLMs which maintains the competitive performance but significantly reduces generating redundant reasoning steps.
♻ ☆ ALPS: Attention Localization and Pruning Strategy for Efficient Alignment of Large Language Models ACL25
Aligning general-purpose large language models (LLMs) to downstream tasks often incurs significant training adjustment costs. Prior research has explored various avenues to enhance alignment efficiency, primarily through minimal-data training or data-driven activations to identify key attention heads. However, these approaches inherently introduce data dependency, which hinders generalization and reusability. To address this issue and enhance model alignment efficiency, we propose the Attention Localization and Pruning Strategy (ALPS), an efficient algorithm that localizes the most task-sensitive attention heads and prunes by restricting attention training updates to these heads, thereby reducing alignment costs. Experimental results demonstrate that our method activates only 10% of attention parameters during fine-tuning while achieving a 2% performance improvement over baselines on three tasks. Moreover, the identified task-specific heads are transferable across datasets and mitigate knowledge forgetting. Our work and findings provide a novel perspective on efficient LLM alignment. The code is available at https://github.com/VoiceBeer/ALPS.
comment: Accepted@ACL25-findings, 17 pages, 8 figures, 14 tables
♻ ☆ TransXSSM: A Hybrid Transformer State Space Model with Unified Rotary Position Embedding
Transformers exhibit proficiency in capturing long-range dependencies, whereas State Space Models (SSMs) facilitate linear-time sequence modeling. Notwithstanding their synergistic potential, the integration of these architectures presents a significant challenge, primarily attributable to a fundamental incongr inuity their respective positional encoding mechanisms: Transformers rely on explicit Rotary Position Embeddings (RoPE), while SSMs leverage implicit positional representations via convolutions. This divergence often precipitates discontinuities and suboptimal performance.To address this impediment, we propose a unified rotary position embedding (Unified RoPE) methodology, thereby establishing a consistent positional encoding framework for both self-attention and state-space components. Using this Unified RoPE, we introduce TransXSSM, a hybrid architecture that coherently integrates the Transformer and SSM layers under this unified positional encoding scheme. At a 4 sequenceK length, TransXSSM exhibits training and inference speeds that are 42.3% and 29.5% faster, respectively, relative to standard Transformer models. It also delivers higher accuracy: under comparable settings, it surpasses a Transformer baseline by over 4% on language modeling benchmarks.TransXSSM furthermore scales more effectively: TransXSSM-1.3B gains 7.22% in average accuracy over its 320M version (versus about 6% gains for equivalent Transformers or SSMs). Our results show that unified positional encoding resolves positional incompatibility in hybrid models, enabling efficient, high-performance long-context modeling.
♻ ☆ BriefMe: A Legal NLP Benchmark for Assisting with Legal Briefs ACL
A core part of legal work that has been under-explored in Legal NLP is the writing and editing of legal briefs. This requires not only a thorough understanding of the law of a jurisdiction, from judgments to statutes, but also the ability to make new arguments to try to expand the law in a new direction and make novel and creative arguments that are persuasive to judges. To capture and evaluate these legal skills in language models, we introduce BRIEFME, a new dataset focused on legal briefs. It contains three tasks for language models to assist legal professionals in writing briefs: argument summarization, argument completion, and case retrieval. In this work, we describe the creation of these tasks, analyze them, and show how current models perform. We see that today's large language models (LLMs) are already quite good at the summarization and guided completion tasks, even beating human-generated headings. Yet, they perform poorly on other tasks in our benchmark: realistic argument completion and retrieving relevant legal cases. We hope this dataset encourages more development in Legal NLP in ways that will specifically aid people in performing legal work.
comment: ACL Findings 2025; 10 pages main, 5 pages references, 37 pages appendix
♻ ☆ GRAM: A Generative Foundation Reward Model for Reward Generalization ICML 2025
In aligning large language models (LLMs), reward models have played an important role, but are standardly trained as discriminative models and rely only on labeled human preference data. In this paper, we explore methods that train reward models using both unlabeled and labeled data. Building on the generative models in LLMs, we develop a generative reward model that is first trained via large-scale unsupervised learning and then fine-tuned via supervised learning. We also show that by using label smoothing, we are in fact optimizing a regularized pairwise ranking loss. This result, in turn, provides a new view of training reward models, which links generative models and discriminative models under the same class of training objectives. The outcome of these techniques is a foundation reward model, which can be applied to a wide range of tasks with little or no further fine-tuning effort. Extensive experiments show that this model generalizes well across several tasks, including response ranking, reinforcement learning from human feedback, and task adaptation with fine-tuning, achieving significant performance improvements over several strong baseline models.
comment: Accepted by ICML 2025
♻ ☆ REVOLVE: Optimizing AI Systems by Tracking Response Evolution in Textual Optimization ICML 2025
Recent advancements in large language models (LLMs) have significantly enhanced the ability of LLM-based systems to perform complex tasks through natural language processing and tool interaction. However, optimizing these LLM-based systems for specific tasks remains challenging, often requiring manual interventions like prompt engineering and hyperparameter tuning. Existing automatic optimization methods, such as textual feedback-based techniques (e.g., TextGrad), tend to focus on immediate feedback, analogous to using immediate derivatives in traditional numerical gradient descent. However, relying solely on such feedback can be limited when the adjustments made in response to this feedback are either too small or fluctuate irregularly, potentially slowing down or even stalling the optimization process. To overcome these challenges, more adaptive methods are needed, especially in situations where the system's response is evolving slowly or unpredictably. In this paper, we introduce REVOLVE, an optimization method that tracks how "R"esponses "EVOLVE" across iterations in LLM systems. By focusing on the evolution of responses over time, REVOLVE enables more stable and effective optimization by making thoughtful, progressive adjustments at each step. Experimental results demonstrate that REVOLVE outperforms competitive baselines, achieving a 7.8% improvement in prompt optimization, a 20.72% gain in solution refinement, and a 29.17% increase in code optimization. Additionally, REVOLVE converges in fewer iterations, resulting in significant computational savings. Beyond its practical contributions, REVOLVE highlights a promising direction, where the rich knowledge from established optimization principles can be leveraged to enhance LLM systems, which paves the way for further advancements in this hybrid domain.
comment: 20 pages, 2 figures, accepted by ICML 2025
♻ ☆ Alleviating Distribution Shift in Synthetic Data for Machine Translation Quality Estimation ACL2025
Quality Estimation (QE) models evaluate the quality of machine translations without reference translations, serving as the reward models for the translation task. Due to the data scarcity, synthetic data generation has emerged as a promising solution. However, synthetic QE data often suffers from distribution shift, which can manifest as discrepancies between pseudo and real translations, or in pseudo labels that do not align with human preferences. To tackle this issue, we introduce DCSQE, a novel framework for alleviating distribution shift in synthetic QE data. To reduce the difference between pseudo and real translations, we employ the constrained beam search algorithm and enhance translation diversity through the use of distinct generation models. DCSQE uses references, i.e., translation supervision signals, to guide both the generation and annotation processes, enhancing the quality of token-level labels. DCSQE further identifies the shortest phrase covering consecutive error tokens, mimicking human annotation behavior, to assign the final phrase-level labels. Specially, we underscore that the translation model can not annotate translations of itself accurately. Extensive experiments demonstrate that DCSQE outperforms SOTA baselines like CometKiwi in both supervised and unsupervised settings. Further analysis offers insights into synthetic data generation that could benefit reward models for other tasks. The code is available at https://github.com/NJUNLP/njuqe.
comment: ACL2025 Main
♻ ☆ Efficiently Building a Domain-Specific Large Language Model from Scratch: A Case Study of a Classical Chinese Large Language Model
General-purpose large language models demonstrate notable capabilities in language comprehension and generation, achieving results that are comparable to, or even surpass, human performance in many natural language processing tasks. Nevertheless, when general models are applied to some specific domains, e.g., Classical Chinese texts, their effectiveness is often unsatisfactory, and fine-tuning open-source foundational models similarly struggles to adequately incorporate domain-specific knowledge. To address this challenge, this study developed a large language model, AI Taiyan, specifically designed for understanding and generating Classical Chinese. Experiments show that with a reasonable model design, data processing, foundational training, and fine-tuning, satisfactory results can be achieved with only 1.8 billion parameters. In key tasks related to language processing of Classical Chinese such as punctuation, identification of allusions, explanation of word meanings, and translation between ancient and modern Chinese, this model exhibits a clear advantage over both general-purpose large models and domain-specific traditional models, achieving levels close to or surpassing human baselines. This research provides a reference for the efficient construction of specialized domain-specific large language models. Furthermore, the paper discusses the application of this model in fields such as the collation of ancient texts, dictionary editing, and language research, combined with case studies.
♻ ☆ CODESYNC: Synchronizing Large Language Models with Dynamic Code Evolution at Scale
Large Language Models (LLMs) have exhibited exceptional performance in software engineering yet face challenges in adapting to continually evolving code knowledge, particularly regarding the frequent updates of third-party library APIs. This limitation, stemming from static pre-training datasets, often results in non-executable code or implementations with suboptimal safety and efficiency. To this end, this paper introduces CODESYNC, a data engine for identifying outdated code patterns and collecting real-time code knowledge updates from Python third-party libraries. Building upon CODESYNC, we develop CODESYNCBENCH, a comprehensive benchmark for assessing LLMs' ability to stay synchronized with code evolution, which covers real-world updates for 220 APIs from six Python libraries. Our benchmark offers 3,300 test cases across three evaluation tasks and an update-aware instruction tuning dataset consisting of 2,200 training samples. Extensive experiments on 14 state-of-the-art LLMs reveal that they struggle with dynamic code evolution, even with the support of advanced knowledge updating methods (e.g., DPO, ORPO, and SimPO). We believe that our benchmark can offer a strong foundation for the development of more effective methods for real-time code knowledge updating in the future. The experimental code and dataset are publicly available at: https://github.com/Lucky-voyage/Code-Sync.
♻ ☆ SpokenWOZ: A Large-Scale Speech-Text Benchmark for Spoken Task-Oriented Dialogue Agents NeurIPS 2023
Task-oriented dialogue (TOD) models have made significant progress in recent years. However, previous studies primarily focus on datasets written by annotators, which has resulted in a gap between academic research and real-world spoken conversation scenarios. While several small-scale spoken TOD datasets are proposed to address robustness issues such as ASR errors, they ignore the unique challenges in spoken conversation. To tackle the limitations, we introduce SpokenWOZ, a large-scale speech-text dataset for spoken TOD, containing 8 domains, 203k turns, 5.7k dialogues and 249 hours of audios from human-to-human spoken conversations. SpokenWOZ further incorporates common spoken characteristics such as word-by-word processing and reasoning in spoken language. Based on these characteristics, we present cross-turn slot and reasoning slot detection as new challenges. We conduct experiments on various baselines, including text-modal models, newly proposed dual-modal models, and LLMs, e.g., ChatGPT. The results show that the current models still have substantial room for improvement in spoken conversation, where the most advanced dialogue state tracker only achieves 25.65% in joint goal accuracy and the SOTA end-to-end model only correctly completes the user request in 52.1% of dialogues. The dataset, code, and leaderboard are available: https://spokenwoz.github.io/.
comment: NeurIPS 2023
♻ ☆ Perspective Transition of Large Language Models for Solving Subjective Tasks ACL 2025
Large language models (LLMs) have revolutionized the field of natural language processing, enabling remarkable progress in various tasks. Different from objective tasks such as commonsense reasoning and arithmetic question-answering, the performance of LLMs on subjective tasks is still limited, where the perspective on the specific problem plays crucial roles for better interpreting the context and giving proper response. For example, in certain scenarios, LLMs may perform better when answering from an expert role perspective, potentially eliciting their relevant domain knowledge. In contrast, in some scenarios, LLMs may provide more accurate responses when answering from a third-person standpoint, enabling a more comprehensive understanding of the problem and potentially mitigating inherent biases. In this paper, we propose Reasoning through Perspective Transition (RPT), a method based on in-context learning that enables LLMs to dynamically select among direct, role, and third-person perspectives for the best way to solve corresponding subjective problem. Through extensive experiments on totally 12 subjective tasks by using both closed-source and open-source LLMs including GPT-4, GPT-3.5, Llama-3, and Qwen-2, our method outperforms widely used single fixed perspective based methods such as chain-of-thought prompting and expert prompting, highlights the intricate ways that LLMs can adapt their perspectives to provide nuanced and contextually appropriate responses for different problems.
comment: ACL 2025 Findings
♻ ☆ Bi-VLDoc: Bidirectional Vision-Language Modeling for Visually-Rich Document Understanding
Multi-modal document pre-trained models have proven to be very effective in a variety of visually-rich document understanding (VrDU) tasks. Though existing document pre-trained models have achieved excellent performance on standard benchmarks for VrDU, the way they model and exploit the interactions between vision and language on documents has hindered them from better generalization ability and higher accuracy. In this work, we investigate the problem of vision-language joint representation learning for VrDU mainly from the perspective of supervisory signals. Specifically, a pre-training paradigm called Bi-VLDoc is proposed, in which a bidirectional vision-language supervision strategy and a vision-language hybrid-attention mechanism are devised to fully explore and utilize the interactions between these two modalities, to learn stronger cross-modal document representations with richer semantics. Benefiting from the learned informative cross-modal document representations, Bi-VLDoc significantly advances the state-of-the-art performance on three widely-used document understanding benchmarks, including Form Understanding (from 85.14% to 93.44%), Receipt Information Extraction (from 96.01% to 97.84%), and Document Classification (from 96.08% to 97.12%). On Document Visual QA, Bi-VLDoc achieves the state-of-the-art performance compared to previous single model methods.
comment: IJDAR 2025
♻ ☆ I-MCTS: Enhancing Agentic AutoML via Introspective Monte Carlo Tree Search
Recent advancements in large language models (LLMs) have shown remarkable potential in automating machine learning tasks. However, existing LLM-based agents often struggle with low-diversity and suboptimal code generation. While recent work has introduced Monte Carlo Tree Search (MCTS) to address these issues, limitations persist in the quality and diversity of thoughts generated, as well as in the scalar value feedback mechanisms used for node selection. In this study, we introduce Introspective Monte Carlo Tree Search (I-MCTS), a novel approach that iteratively expands tree nodes through an introspective process that meticulously analyzes solutions and results from parent and sibling nodes. This facilitates a continuous refinement of the node in the search tree, thereby enhancing the overall decision-making process. Furthermore, we integrate a Large Language Model (LLM)-based value model to facilitate direct evaluation of each node's solution prior to conducting comprehensive computational rollouts. A hybrid rewarding mechanism is implemented to seamlessly transition the Q-value from LLM-estimated scores to actual performance scores. This allows higher-quality nodes to be traversed earlier. Applied to the various ML tasks, our approach demonstrates a 6% absolute improvement in performance compared to the strong open-source AutoML agents, showcasing its effectiveness in enhancing agentic AutoML systems. Resource available at https://github.com/jokieleung/I-MCTS
♻ ☆ ChemHAS: Hierarchical Agent Stacking for Enhancing Chemistry Tools
Large Language Model (LLM)-based agents have demonstrated the ability to improve performance in chemistry-related tasks by selecting appropriate tools. However, their effectiveness remains limited by the inherent prediction errors of chemistry tools. In this paper, we take a step further by exploring how LLMbased agents can, in turn, be leveraged to reduce prediction errors of the tools. To this end, we propose ChemHAS (Chemical Hierarchical Agent Stacking), a simple yet effective method that enhances chemistry tools through optimizing agent-stacking structures from limited data. ChemHAS achieves state-of-the-art performance across four fundamental chemistry tasks, demonstrating that our method can effectively compensate for prediction errors of the tools. Furthermore, we identify and characterize four distinct agent-stacking behaviors, potentially improving interpretability and revealing new possibilities for AI agent applications in scientific research. Our code and dataset are publicly available at https: //anonymous.4open.science/r/ChemHAS-01E4/README.md.
comment: 9 pages
♻ ☆ Ring-lite: Scalable Reasoning via C3PO-Stabilized Reinforcement Learning for LLMs
We present Ring-lite, a Mixture-of-Experts (MoE)-based large language model optimized via reinforcement learning (RL) to achieve efficient and robust reasoning capabilities. Built upon the publicly available Ling-lite model, a 16.8 billion parameter model with 2.75 billion activated parameters, our approach matches the performance of state-of-the-art (SOTA) small-scale reasoning models on challenging benchmarks (e.g., AIME, LiveCodeBench, GPQA-Diamond) while activating only one-third of the parameters required by comparable models. To accomplish this, we introduce a joint training pipeline integrating distillation with RL, revealing undocumented challenges in MoE RL training. First, we identify optimization instability during RL training, and we propose Constrained Contextual Computation Policy Optimization(C3PO), a novel approach that enhances training stability and improves computational throughput via algorithm-system co-design methodology. Second, we empirically demonstrate that selecting distillation checkpoints based on entropy loss for RL training, rather than validation metrics, yields superior performance-efficiency trade-offs in subsequent RL training. Finally, we develop a two-stage training paradigm to harmonize multi-domain data integration, addressing domain conflicts that arise in training with mixed dataset. We will release the model, dataset, and code.
comment: Technical Report
♻ ☆ Root Defence Strategies: Ensuring Safety of LLM at the Decoding Level
Large language models (LLMs) have demonstrated immense utility across various industries. However, as LLMs advance, the risk of harmful outputs increases due to incorrect or malicious instruction prompts. While current methods effectively address jailbreak risks, they share common limitations: 1) Judging harmful responses from the prefill-level lacks utilization of the model's decoding outputs, leading to relatively lower effectiveness and robustness. 2) Rejecting potentially harmful responses based on a single evaluation can significantly impair the model's helpfulness.This paper examines the LLMs' capability to recognize harmful outputs, revealing and quantifying their proficiency in assessing the danger of previous tokens. Motivated by pilot experiment results, we design a robust defense mechanism at the decoding level. Our novel decoder-oriented, step-by-step defense architecture corrects harmful queries directly rather than rejecting them outright. We introduce speculative decoding to enhance usability and facilitate deployment to boost secure decoding speed. Extensive experiments demonstrate that our approach improves model security without compromising reasoning speed. Notably, our method leverages the model's ability to discern hazardous information, maintaining its helpfulness compared to existing methods.
comment: 19 pages, 9 figures
Computer Vision and Pattern Recognition 100
☆ Nabla-R2D3: Effective and Efficient 3D Diffusion Alignment with 2D Rewards
Generating high-quality and photorealistic 3D assets remains a longstanding challenge in 3D vision and computer graphics. Although state-of-the-art generative models, such as diffusion models, have made significant progress in 3D generation, they often fall short of human-designed content due to limited ability to follow instructions, align with human preferences, or produce realistic textures, geometries, and physical attributes. In this paper, we introduce Nabla-R2D3, a highly effective and sample-efficient reinforcement learning alignment framework for 3D-native diffusion models using 2D rewards. Built upon the recently proposed Nabla-GFlowNet method, which matches the score function to reward gradients in a principled manner for reward finetuning, our Nabla-R2D3 enables effective adaptation of 3D diffusion models using only 2D reward signals. Extensive experiments show that, unlike vanilla finetuning baselines which either struggle to converge or suffer from reward hacking, Nabla-R2D3 consistently achieves higher rewards and reduced prior forgetting within a few finetuning steps.
comment: Technical Report (21 pages, 21 figures)
☆ Evolutionary Caching to Accelerate Your Off-the-Shelf Diffusion Model
Diffusion-based image generation models excel at producing high-quality synthetic content, but suffer from slow and computationally expensive inference. Prior work has attempted to mitigate this by caching and reusing features within diffusion transformers across inference steps. These methods, however, often rely on rigid heuristics that result in limited acceleration or poor generalization across architectures. We propose Evolutionary Caching to Accelerate Diffusion models (ECAD), a genetic algorithm that learns efficient, per-model, caching schedules forming a Pareto frontier, using only a small set of calibration prompts. ECAD requires no modifications to network parameters or reference images. It offers significant inference speedups, enables fine-grained control over the quality-latency trade-off, and adapts seamlessly to different diffusion models. Notably, ECAD's learned schedules can generalize effectively to resolutions and model variants not seen during calibration. We evaluate ECAD on PixArt-alpha, PixArt-Sigma, and FLUX-1.dev using multiple metrics (FID, CLIP, Image Reward) across diverse benchmarks (COCO, MJHQ-30k, PartiPrompts), demonstrating consistent improvements over previous approaches. On PixArt-alpha, ECAD identifies a schedule that outperforms the previous state-of-the-art method by 4.47 COCO FID while increasing inference speedup from 2.35x to 2.58x. Our results establish ECAD as a scalable and generalizable approach for accelerating diffusion inference. Our project website is available at https://aniaggarwal.github.io/ecad and our code is available at https://github.com/aniaggarwal/ecad.
comment: 29 pages, 22 figures, 9 tables
☆ Particle-Grid Neural Dynamics for Learning Deformable Object Models from RGB-D Videos
Modeling the dynamics of deformable objects is challenging due to their diverse physical properties and the difficulty of estimating states from limited visual information. We address these challenges with a neural dynamics framework that combines object particles and spatial grids in a hybrid representation. Our particle-grid model captures global shape and motion information while predicting dense particle movements, enabling the modeling of objects with varied shapes and materials. Particles represent object shapes, while the spatial grid discretizes the 3D space to ensure spatial continuity and enhance learning efficiency. Coupled with Gaussian Splattings for visual rendering, our framework achieves a fully learning-based digital twin of deformable objects and generates 3D action-conditioned videos. Through experiments, we demonstrate that our model learns the dynamics of diverse objects -- such as ropes, cloths, stuffed animals, and paper bags -- from sparse-view RGB-D recordings of robot-object interactions, while also generalizing at the category level to unseen instances. Our approach outperforms state-of-the-art learning-based and physics-based simulators, particularly in scenarios with limited camera views. Furthermore, we showcase the utility of our learned models in model-based planning, enabling goal-conditioned object manipulation across a range of tasks. The project page is available at https://kywind.github.io/pgnd .
comment: Project page: https://kywind.github.io/pgnd
☆ Embodied Web Agents: Bridging Physical-Digital Realms for Integrated Agent Intelligence
AI agents today are mostly siloed - they either retrieve and reason over vast amount of digital information and knowledge obtained online; or interact with the physical world through embodied perception, planning and action - but rarely both. This separation limits their ability to solve tasks that require integrated physical and digital intelligence, such as cooking from online recipes, navigating with dynamic map data, or interpreting real-world landmarks using web knowledge. We introduce Embodied Web Agents, a novel paradigm for AI agents that fluidly bridge embodiment and web-scale reasoning. To operationalize this concept, we first develop the Embodied Web Agents task environments, a unified simulation platform that tightly integrates realistic 3D indoor and outdoor environments with functional web interfaces. Building upon this platform, we construct and release the Embodied Web Agents Benchmark, which encompasses a diverse suite of tasks including cooking, navigation, shopping, tourism, and geolocation - all requiring coordinated reasoning across physical and digital realms for systematic assessment of cross-domain intelligence. Experimental results reveal significant performance gaps between state-of-the-art AI systems and human capabilities, establishing both challenges and opportunities at the intersection of embodied cognition and web-scale knowledge access. All datasets, codes and websites are publicly available at our project page https://embodied-web-agent.github.io/.
☆ Sekai: A Video Dataset towards World Exploration
Video generation techniques have made remarkable progress, promising to be the foundation of interactive world exploration. However, existing video generation datasets are not well-suited for world exploration training as they suffer from some limitations: limited locations, short duration, static scenes, and a lack of annotations about exploration and the world. In this paper, we introduce Sekai (meaning ``world'' in Japanese), a high-quality first-person view worldwide video dataset with rich annotations for world exploration. It consists of over 5,000 hours of walking or drone view (FPV and UVA) videos from over 100 countries and regions across 750 cities. We develop an efficient and effective toolbox to collect, pre-process and annotate videos with location, scene, weather, crowd density, captions, and camera trajectories. Experiments demonstrate the quality of the dataset. And, we use a subset to train an interactive video world exploration model, named YUME (meaning ``dream'' in Japanese). We believe Sekai will benefit the area of video generation and world exploration, and motivate valuable applications.
comment: 12 pages, 6 figures
☆ UniRelight: Learning Joint Decomposition and Synthesis for Video Relighting
We address the challenge of relighting a single image or video, a task that demands precise scene intrinsic understanding and high-quality light transport synthesis. Existing end-to-end relighting models are often limited by the scarcity of paired multi-illumination data, restricting their ability to generalize across diverse scenes. Conversely, two-stage pipelines that combine inverse and forward rendering can mitigate data requirements but are susceptible to error accumulation and often fail to produce realistic outputs under complex lighting conditions or with sophisticated materials. In this work, we introduce a general-purpose approach that jointly estimates albedo and synthesizes relit outputs in a single pass, harnessing the generative capabilities of video diffusion models. This joint formulation enhances implicit scene comprehension and facilitates the creation of realistic lighting effects and intricate material interactions, such as shadows, reflections, and transparency. Trained on synthetic multi-illumination data and extensive automatically labeled real-world videos, our model demonstrates strong generalization across diverse domains and surpasses previous methods in both visual fidelity and temporal consistency.
comment: Project page: https://research.nvidia.com/labs/toronto-ai/UniRelight/
☆ Dual-Stage Value-Guided Inference with Margin-Based Reward Adjustment for Fast and Faithful VLM Captioning
Despite significant advances in inference-time search for vision-language models (VLMs), existing approaches remain both computationally expensive and prone to unpenalized, low-confidence generations which often lead to persistent hallucinations. We introduce \textbf{Value-guided Inference with Margin-based Reward (ViMaR)}, a two-stage inference framework that improves both efficiency and output fidelity by combining a temporal-difference value model with a margin-aware reward adjustment. In the first stage, we perform a single pass to identify the highest-value caption among diverse candidates. In the second stage, we selectively refine only those segments that were overlooked or exhibit weak visual grounding, thereby eliminating frequently rewarded evaluations. A calibrated margin-based penalty discourages low-confidence continuations while preserving descriptive richness. Extensive experiments across multiple VLM architectures demonstrate that ViMaR generates captions that are significantly more reliable, factually accurate, detailed, and explanatory, while achieving over 4$\times$ speedup compared to existing value-guided methods. Specifically, we show that ViMaR trained solely on LLaVA Mistral-7B, \textit{generalizes effectively to guide decoding in a stronger unseen model}. To further validate this, we adapt the ViMaR to steer generation in LLaVA-OneVision-Qwen2-7B, leading to consistent improvements in caption quality and demonstrating robust cross-model guidance. This cross-model generalization highlights ViMaR's flexibility and modularity, positioning it as a scalable and transferable inference-time decoding strategy. Furthermore, when ViMaR-generated captions are used for self-training, the underlying models achieve substantial gains across a broad suite of visual comprehension benchmarks, underscoring the potential of fast, accurate, and self-improving VLM pipelines.
☆ Demystifying the Visual Quality Paradox in Multimodal Large Language Models
Recent Multimodal Large Language Models (MLLMs) excel on benchmark vision-language tasks, yet little is known about how input visual quality shapes their responses. Does higher perceptual quality of images already translate to better MLLM understanding? We conduct the first systematic study spanning leading MLLMs and a suite of vision-language benchmarks, applying controlled degradations and stylistic shifts to each image. Surprisingly, we uncover a visual-quality paradox: model, task, and even individual-instance performance can improve when images deviate from human-perceived fidelity. Off-the-shelf restoration pipelines fail to reconcile these idiosyncratic preferences. To close the gap, we introduce Visual-Quality Test-Time Tuning (VQ-TTT)-a lightweight adaptation module that: (1) inserts a learnable, low-rank kernel before the frozen vision encoder to modulate frequency content; and (2) fine-tunes only shallow vision-encoder layers via LoRA. VQ-TTT dynamically adjusts each input image in a single forward pass, aligning it with task-specific model preferences. Across the evaluated MLLMs and all datasets, VQ-TTT lifts significant average accuracy, with no external models, cached features, or extra training data. These findings redefine ``better'' visual inputs for MLLMs and highlight the need for adaptive, rather than universally ``clean'', imagery, in the new era of AI being the main data customer.
comment: 18 pages
☆ FindingDory: A Benchmark to Evaluate Memory in Embodied Agents
Large vision-language models have recently demonstrated impressive performance in planning and control tasks, driving interest in their application to real-world robotics. However, deploying these models for reasoning in embodied contexts is limited by their ability to incorporate long-term experience collected across multiple days and represented by vast collections of images. Current VLMs typically struggle to process more than a few hundred images concurrently, highlighting the need for more efficient mechanisms to handle long-term memory in embodied settings. To effectively evaluate these models for long-horizon control, a benchmark must specifically target scenarios where memory is crucial for success. Existing long-video QA benchmarks overlook embodied challenges like object manipulation and navigation, which demand low-level skills and fine-grained reasoning over past interactions. Moreover, effective memory integration in embodied agents involves both recalling relevant historical information and executing actions based on that information, making it essential to study these aspects together rather than in isolation. In this work, we introduce a new benchmark for long-range embodied tasks in the Habitat simulator. This benchmark evaluates memory-based capabilities across 60 tasks requiring sustained engagement and contextual awareness in an environment. The tasks can also be procedurally extended to longer and more challenging versions, enabling scalable evaluation of memory and reasoning. We also present baselines that integrate state-of-the-art VLMs with low level navigation policies, assessing their performance on these memory-intensive tasks and highlight areas for improvement.
comment: Our dataset and code will be made available at: https://findingdory-benchmark.github.io/
☆ HOIDiNi: Human-Object Interaction through Diffusion Noise Optimization
We present HOIDiNi, a text-driven diffusion framework for synthesizing realistic and plausible human-object interaction (HOI). HOI generation is extremely challenging since it induces strict contact accuracies alongside a diverse motion manifold. While current literature trades off between realism and physical correctness, HOIDiNi optimizes directly in the noise space of a pretrained diffusion model using Diffusion Noise Optimization (DNO), achieving both. This is made feasible thanks to our observation that the problem can be separated into two phases: an object-centric phase, primarily making discrete choices of hand-object contact locations, and a human-centric phase that refines the full-body motion to realize this blueprint. This structured approach allows for precise hand-object contact without compromising motion naturalness. Quantitative, qualitative, and subjective evaluations on the GRAB dataset alone clearly indicate HOIDiNi outperforms prior works and baselines in contact accuracy, physical validity, and overall quality. Our results demonstrate the ability to generate complex, controllable interactions, including grasping, placing, and full-body coordination, driven solely by textual prompts. https://hoidini.github.io.
comment: Project page: https://hoidini.github.io
☆ BoxFusion: Reconstruction-Free Open-Vocabulary 3D Object Detection via Real-Time Multi-View Box Fusion
Open-vocabulary 3D object detection has gained significant interest due to its critical applications in autonomous driving and embodied AI. Existing detection methods, whether offline or online, typically rely on dense point cloud reconstruction, which imposes substantial computational overhead and memory constraints, hindering real-time deployment in downstream tasks. To address this, we propose a novel reconstruction-free online framework tailored for memory-efficient and real-time 3D detection. Specifically, given streaming posed RGB-D video input, we leverage Cubify Anything as a pre-trained visual foundation model (VFM) for single-view 3D object detection by bounding boxes, coupled with CLIP to capture open-vocabulary semantics of detected objects. To fuse all detected bounding boxes across different views into a unified one, we employ an association module for correspondences of multi-views and an optimization module to fuse the 3D bounding boxes of the same instance predicted in multi-views. The association module utilizes 3D Non-Maximum Suppression (NMS) and a box correspondence matching module, while the optimization module uses an IoU-guided efficient random optimization technique based on particle filtering to enforce multi-view consistency of the 3D bounding boxes while minimizing computational complexity. Extensive experiments on ScanNetV2 and CA-1M datasets demonstrate that our method achieves state-of-the-art performance among online methods. Benefiting from this novel reconstruction-free paradigm for 3D object detection, our method exhibits great generalization abilities in various scenarios, enabling real-time perception even in environments exceeding 1000 square meters.
comment: 11 pages, 6 figures
☆ Mono-Modalizing Extremely Heterogeneous Multi-Modal Medical Image Registration MICCAI
In clinical practice, imaging modalities with functional characteristics, such as positron emission tomography (PET) and fractional anisotropy (FA), are often aligned with a structural reference (e.g., MRI, CT) for accurate interpretation or group analysis, necessitating multi-modal deformable image registration (DIR). However, due to the extreme heterogeneity of these modalities compared to standard structural scans, conventional unsupervised DIR methods struggle to learn reliable spatial mappings and often distort images. We find that the similarity metrics guiding these models fail to capture alignment between highly disparate modalities. To address this, we propose M2M-Reg (Multi-to-Mono Registration), a novel framework that trains multi-modal DIR models using only mono-modal similarity while preserving the established architectural paradigm for seamless integration into existing models. We also introduce GradCyCon, a regularizer that leverages M2M-Reg's cyclic training scheme to promote diffeomorphism. Furthermore, our framework naturally extends to a semi-supervised setting, integrating pre-aligned and unaligned pairs only, without requiring ground-truth transformations or segmentation masks. Experiments on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset demonstrate that M2M-Reg achieves up to 2x higher DSC than prior methods for PET-MRI and FA-MRI registration, highlighting its effectiveness in handling highly heterogeneous multi-modal DIR. Our code is available at https://github.com/MICV-yonsei/M2M-Reg.
comment: 11 pages, 3 figures, 2 tables, Accepted at Medical Image Computing and Computer Assisted Intervention (MICCAI) 2025
☆ One-Step Diffusion for Detail-Rich and Temporally Consistent Video Super-Resolution
It is a challenging problem to reproduce rich spatial details while maintaining temporal consistency in real-world video super-resolution (Real-VSR), especially when we leverage pre-trained generative models such as stable diffusion (SD) for realistic details synthesis. Existing SD-based Real-VSR methods often compromise spatial details for temporal coherence, resulting in suboptimal visual quality. We argue that the key lies in how to effectively extract the degradation-robust temporal consistency priors from the low-quality (LQ) input video and enhance the video details while maintaining the extracted consistency priors. To achieve this, we propose a Dual LoRA Learning (DLoRAL) paradigm to train an effective SD-based one-step diffusion model, achieving realistic frame details and temporal consistency simultaneously. Specifically, we introduce a Cross-Frame Retrieval (CFR) module to aggregate complementary information across frames, and train a Consistency-LoRA (C-LoRA) to learn robust temporal representations from degraded inputs. After consistency learning, we fix the CFR and C-LoRA modules and train a Detail-LoRA (D-LoRA) to enhance spatial details while aligning with the temporal space defined by C-LoRA to keep temporal coherence. The two phases alternate iteratively for optimization, collaboratively delivering consistent and detail-rich outputs. During inference, the two LoRA branches are merged into the SD model, allowing efficient and high-quality video restoration in a single diffusion step. Experiments show that DLoRAL achieves strong performance in both accuracy and speed. Code and models are available at https://github.com/yjsunnn/DLoRAL.
☆ A Unified Graph-based Framework for Scalable 3D Tree Reconstruction and Non-Destructive Biomass Estimation from Point Clouds
Estimating forest above-ground biomass (AGB) is crucial for assessing carbon storage and supporting sustainable forest management. Quantitative Structural Model (QSM) offers a non-destructive approach to AGB estimation through 3D tree structural reconstruction. However, current QSM methods face significant limitations, as they are primarily designed for individual trees,depend on high-quality point cloud data from terrestrial laser scanning (TLS), and also require multiple pre-processing steps that hinder scalability and practical deployment. This study presents a novel unified framework that enables end-to-end processing of large-scale point clouds using an innovative graph-based pipeline. The proposed approach seamlessly integrates tree segmentation,leaf-wood separation and 3D skeletal reconstruction through dedicated graph operations including pathing and abstracting for tree topology reasoning. Comprehensive validation was conducted on datasets with varying leaf conditions (leaf-on and leaf-off), spatial scales (tree- and plot-level), and data sources (TLS and UAV-based laser scanning, ULS). Experimental results demonstrate strong performance under challenging conditions, particularly in leaf-on scenarios (~20% relative error) and low-density ULS datasets with partial coverage (~30% relative error). These findings indicate that the proposed framework provides a robust and scalable solution for large-scale, non-destructive AGB estimation. It significantly reduces dependency on specialized pre-processing tools and establishes ULS as a viable alternative to TLS. To our knowledge, this is the first method capable of enabling seamless, end-to-end 3D tree reconstruction at operational scales. This advancement substantially improves the feasibility of QSM-based AGB estimation, paving the way for broader applications in forest inventory and climate change research.
comment: 17 pages,19 figures
☆ Baltimore Atlas: FreqWeaver Adapter for Semi-supervised Ultra-high Spatial Resolution Land Cover Classification
Ultra-high Spatial Resolution Land Cover Classification is essential for fine-grained land cover analysis, yet it remains challenging due to the high cost of pixel-level annotations, significant scale variation, and the limited adaptability of large-scale vision models. Existing methods typically focus on 1-meter spatial resolution imagery and rely heavily on annotated data, whereas practical applications often require processing higher-resolution imagery under weak supervision. To address this, we propose a parameter-efficient semi-supervised segmentation framework for 0.3 m spatial resolution imagery, which leverages the knowledge of SAM2 and introduces a remote sensing-specific FreqWeaver Adapter to enhance fine-grained detail modeling while maintaining a lightweight design at only 5.96% of the total model parameters. By effectively leveraging unlabeled data and maintaining minimal parameter overhead, the proposed method delivers robust segmentation results with superior structural consistency, achieving a 1.78% improvement over existing parameter-efficient tuning strategies and a 3.44% gain compared to state-of-the-art high-resolution remote sensing segmentation approaches.
☆ Show-o2: Improved Native Unified Multimodal Models
This paper presents improved native unified multimodal models, \emph{i.e.,} Show-o2, that leverage autoregressive modeling and flow matching. Built upon a 3D causal variational autoencoder space, unified visual representations are constructed through a dual-path of spatial (-temporal) fusion, enabling scalability across image and video modalities while ensuring effective multimodal understanding and generation. Based on a language model, autoregressive modeling and flow matching are natively applied to the language head and flow head, respectively, to facilitate text token prediction and image/video generation. A two-stage training recipe is designed to effectively learn and scale to larger models. The resulting Show-o2 models demonstrate versatility in handling a wide range of multimodal understanding and generation tasks across diverse modalities, including text, images, and videos. Code and models are released at https://github.com/showlab/Show-o.
comment: Technical report
☆ Control and Realism: Best of Both Worlds in Layout-to-Image without Training ICML2025
Layout-to-Image generation aims to create complex scenes with precise control over the placement and arrangement of subjects. Existing works have demonstrated that pre-trained Text-to-Image diffusion models can achieve this goal without training on any specific data; however, they often face challenges with imprecise localization and unrealistic artifacts. Focusing on these drawbacks, we propose a novel training-free method, WinWinLay. At its core, WinWinLay presents two key strategies, Non-local Attention Energy Function and Adaptive Update, that collaboratively enhance control precision and realism. On one hand, we theoretically demonstrate that the commonly used attention energy function introduces inherent spatial distribution biases, hindering objects from being uniformly aligned with layout instructions. To overcome this issue, non-local attention prior is explored to redistribute attention scores, facilitating objects to better conform to the specified spatial conditions. On the other hand, we identify that the vanilla backpropagation update rule can cause deviations from the pre-trained domain, leading to out-of-distribution artifacts. We accordingly introduce a Langevin dynamics-based adaptive update scheme as a remedy that promotes in-domain updating while respecting layout constraints. Extensive experiments demonstrate that WinWinLay excels in controlling element placement and achieving photorealistic visual fidelity, outperforming the current state-of-the-art methods.
comment: Accepted by ICML2025
☆ Automated MRI Tumor Segmentation using hybrid U-Net with Transformer and Efficient Attention
Cancer is an abnormal growth with potential to invade locally and metastasize to distant organs. Accurate auto-segmentation of the tumor and surrounding normal tissues is required for radiotherapy treatment plan optimization. Recent AI-based segmentation models are generally trained on large public datasets, which lack the heterogeneity of local patient populations. While these studies advance AI-based medical image segmentation, research on local datasets is necessary to develop and integrate AI tumor segmentation models directly into hospital software for efficient and accurate oncology treatment planning and execution. This study enhances tumor segmentation using computationally efficient hybrid UNet-Transformer models on magnetic resonance imaging (MRI) datasets acquired from a local hospital under strict privacy protection. We developed a robust data pipeline for seamless DICOM extraction and preprocessing, followed by extensive image augmentation to ensure model generalization across diverse clinical settings, resulting in a total dataset of 6080 images for training. Our novel architecture integrates UNet-based convolutional neural networks with a transformer bottleneck and complementary attention modules, including efficient attention, Squeeze-and-Excitation (SE) blocks, Convolutional Block Attention Module (CBAM), and ResNeXt blocks. To accelerate convergence and reduce computational demands, we used a maximum batch size of 8 and initialized the encoder with pretrained ImageNet weights, training the model on dual NVIDIA T4 GPUs via checkpointing to overcome Kaggle's runtime limits. Quantitative evaluation on the local MRI dataset yielded a Dice similarity coefficient of 0.764 and an Intersection over Union (IoU) of 0.736, demonstrating competitive performance despite limited data and underscoring the importance of site-specific model development for clinical deployment.
comment: 16 pages, 5 figures
☆ RaCalNet: Radar Calibration Network for Sparse-Supervised Metric Depth Estimation
Dense metric depth estimation using millimeter-wave radar typically requires dense LiDAR supervision, generated via multi-frame projection and interpolation, to guide the learning of accurate depth from sparse radar measurements and RGB images. However, this paradigm is both costly and data-intensive. To address this, we propose RaCalNet, a novel framework that eliminates the need for dense supervision by using sparse LiDAR to supervise the learning of refined radar measurements, resulting in a supervision density of merely around 1% compared to dense-supervised methods. Unlike previous approaches that associate radar points with broad image regions and rely heavily on dense labels, RaCalNet first recalibrates and refines sparse radar points to construct accurate depth priors. These priors then serve as reliable anchors to guide monocular depth prediction, enabling metric-scale estimation without resorting to dense supervision. This design improves structural consistency and preserves fine details. Despite relying solely on sparse supervision, RaCalNet surpasses state-of-the-art dense-supervised methods, producing depth maps with clear object contours and fine-grained textures. Extensive experiments on the ZJU-4DRadarCam dataset and real-world deployment scenarios demonstrate its effectiveness, reducing RMSE by 35.30% and 34.89%, respectively.
comment: 9 pages, 7 figures
☆ CLAIM: Clinically-Guided LGE Augmentation for Realistic and Diverse Myocardial Scar Synthesis and Segmentation
Deep learning-based myocardial scar segmentation from late gadolinium enhancement (LGE) cardiac MRI has shown great potential for accurate and timely diagnosis and treatment planning for structural cardiac diseases. However, the limited availability and variability of LGE images with high-quality scar labels restrict the development of robust segmentation models. To address this, we introduce CLAIM: \textbf{C}linically-Guided \textbf{L}GE \textbf{A}ugmentation for Real\textbf{i}stic and Diverse \textbf{M}yocardial Scar Synthesis and Segmentation framework, a framework for anatomically grounded scar generation and segmentation. At its core is the SMILE module (Scar Mask generation guided by cLinical knowledgE), which conditions a diffusion-based generator on the clinically adopted AHA 17-segment model to synthesize images with anatomically consistent and spatially diverse scar patterns. In addition, CLAIM employs a joint training strategy in which the scar segmentation network is optimized alongside the generator, aiming to enhance both the realism of synthesized scars and the accuracy of the scar segmentation performance. Experimental results show that CLAIM produces anatomically coherent scar patterns and achieves higher Dice similarity with real scar distributions compared to baseline models. Our approach enables controllable and realistic myocardial scar synthesis and has demonstrated utility for downstream medical imaging task.
comment: 14 Pages
☆ NTIRE 2025 Image Shadow Removal Challenge Report
This work examines the findings of the NTIRE 2025 Shadow Removal Challenge. A total of 306 participants have registered, with 17 teams successfully submitting their solutions during the final evaluation phase. Following the last two editions, this challenge had two evaluation tracks: one focusing on reconstruction fidelity and the other on visual perception through a user study. Both tracks were evaluated with images from the WSRD+ dataset, simulating interactions between self- and cast-shadows with a large number of diverse objects, textures, and materials.
☆ Pixel-level Certified Explanations via Randomized Smoothing
Post-hoc attribution methods aim to explain deep learning predictions by highlighting influential input pixels. However, these explanations are highly non-robust: small, imperceptible input perturbations can drastically alter the attribution map while maintaining the same prediction. This vulnerability undermines their trustworthiness and calls for rigorous robustness guarantees of pixel-level attribution scores. We introduce the first certification framework that guarantees pixel-level robustness for any black-box attribution method using randomized smoothing. By sparsifying and smoothing attribution maps, we reformulate the task as a segmentation problem and certify each pixel's importance against $\ell_2$-bounded perturbations. We further propose three evaluation metrics to assess certified robustness, localization, and faithfulness. An extensive evaluation of 12 attribution methods across 5 ImageNet models shows that our certified attributions are robust, interpretable, and faithful, enabling reliable use in downstream tasks. Our code is at https://github.com/AlaaAnani/certified-attributions.
☆ Advanced cervical cancer classification: enhancing pap smear images with hybrid PMD Filter-CLAHE
Cervical cancer remains a significant health problem, especially in developing countries. Early detection is critical for effective treatment. Convolutional neural networks (CNN) have shown promise in automated cervical cancer screening, but their performance depends on Pap smear image quality. This study investigates the impact of various image preprocessing techniques on CNN performance for cervical cancer classification using the SIPaKMeD dataset. Three preprocessing techniques were evaluated: perona-malik diffusion (PMD) filter for noise reduction, contrast-limited adaptive histogram equalization (CLAHE) for image contrast enhancement, and the proposed hybrid PMD filter-CLAHE approach. The enhanced image datasets were evaluated on pretrained models, such as ResNet-34, ResNet-50, SqueezeNet-1.0, MobileNet-V2, EfficientNet-B0, EfficientNet-B1, DenseNet-121, and DenseNet-201. The results show that hybrid preprocessing PMD filter-CLAHE can improve the Pap smear image quality and CNN architecture performance compared to the original images. The maximum metric improvements are 13.62% for accuracy, 10.04% for precision, 13.08% for recall, and 14.34% for F1-score. The proposed hybrid PMD filter-CLAHE technique offers a new perspective in improving cervical cancer classification performance using CNN architectures.
☆ GenHOI: Generalizing Text-driven 4D Human-Object Interaction Synthesis for Unseen Objects
While diffusion models and large-scale motion datasets have advanced text-driven human motion synthesis, extending these advances to 4D human-object interaction (HOI) remains challenging, mainly due to the limited availability of large-scale 4D HOI datasets. In our study, we introduce GenHOI, a novel two-stage framework aimed at achieving two key objectives: 1) generalization to unseen objects and 2) the synthesis of high-fidelity 4D HOI sequences. In the initial stage of our framework, we employ an Object-AnchorNet to reconstruct sparse 3D HOI keyframes for unseen objects, learning solely from 3D HOI datasets, thereby mitigating the dependence on large-scale 4D HOI datasets. Subsequently, we introduce a Contact-Aware Diffusion Model (ContactDM) in the second stage to seamlessly interpolate sparse 3D HOI keyframes into densely temporally coherent 4D HOI sequences. To enhance the quality of generated 4D HOI sequences, we propose a novel Contact-Aware Encoder within ContactDM to extract human-object contact patterns and a novel Contact-Aware HOI Attention to effectively integrate the contact signals into diffusion models. Experimental results show that we achieve state-of-the-art results on the publicly available OMOMO and 3D-FUTURE datasets, demonstrating strong generalization abilities to unseen objects, while enabling high-fidelity 4D HOI generation.
☆ Multimodal Large Language Models for Medical Report Generation via Customized Prompt Tuning
Medical report generation from imaging data remains a challenging task in clinical practice. While large language models (LLMs) show great promise in addressing this challenge, their effective integration with medical imaging data still deserves in-depth exploration. In this paper, we present MRG-LLM, a novel multimodal large language model (MLLM) that combines a frozen LLM with a learnable visual encoder and introduces a dynamic prompt customization mechanism. Our key innovation lies in generating instance-specific prompts tailored to individual medical images through conditional affine transformations derived from visual features. We propose two implementations: prompt-wise and promptbook-wise customization, enabling precise and targeted report generation. Extensive experiments on IU X-ray and MIMIC-CXR datasets demonstrate that MRG-LLM achieves state-of-the-art performance in medical report generation. Our code will be made publicly available.
☆ Hunyuan3D 2.1: From Images to High-Fidelity 3D Assets with Production-Ready PBR Material
3D AI-generated content (AIGC) is a passionate field that has significantly accelerated the creation of 3D models in gaming, film, and design. Despite the development of several groundbreaking models that have revolutionized 3D generation, the field remains largely accessible only to researchers, developers, and designers due to the complexities involved in collecting, processing, and training 3D models. To address these challenges, we introduce Hunyuan3D 2.1 as a case study in this tutorial. This tutorial offers a comprehensive, step-by-step guide on processing 3D data, training a 3D generative model, and evaluating its performance using Hunyuan3D 2.1, an advanced system for producing high-resolution, textured 3D assets. The system comprises two core components: the Hunyuan3D-DiT for shape generation and the Hunyuan3D-Paint for texture synthesis. We will explore the entire workflow, including data preparation, model architecture, training strategies, evaluation metrics, and deployment. By the conclusion of this tutorial, you will have the knowledge to finetune or develop a robust 3D generative model suitable for applications in gaming, virtual reality, and industrial design.
comment: Github link: https://github.com/Tencent-Hunyuan/Hunyuan3D-2.1
☆ NERO: Explainable Out-of-Distribution Detection with Neuron-level Relevance
Ensuring reliability is paramount in deep learning, particularly within the domain of medical imaging, where diagnostic decisions often hinge on model outputs. The capacity to separate out-of-distribution (OOD) samples has proven to be a valuable indicator of a model's reliability in research. In medical imaging, this is especially critical, as identifying OOD inputs can help flag potential anomalies that might otherwise go undetected. While many OOD detection methods rely on feature or logit space representations, recent works suggest these approaches may not fully capture OOD diversity. To address this, we propose a novel OOD scoring mechanism, called NERO, that leverages neuron-level relevance at the feature layer. Specifically, we cluster neuron-level relevance for each in-distribution (ID) class to form representative centroids and introduce a relevance distance metric to quantify a new sample's deviation from these centroids, enhancing OOD separability. Additionally, we refine performance by incorporating scaled relevance in the bias term and combining feature norms. Our framework also enables explainable OOD detection. We validate its effectiveness across multiple deep learning architectures on the gastrointestinal imaging benchmarks Kvasir and GastroVision, achieving improvements over state-of-the-art OOD detection methods.
☆ MCOO-SLAM: A Multi-Camera Omnidirectional Object SLAM System
Object-level SLAM offers structured and semantically meaningful environment representations, making it more interpretable and suitable for high-level robotic tasks. However, most existing approaches rely on RGB-D sensors or monocular views, which suffer from narrow fields of view, occlusion sensitivity, and limited depth perception-especially in large-scale or outdoor environments. These limitations often restrict the system to observing only partial views of objects from limited perspectives, leading to inaccurate object modeling and unreliable data association. In this work, we propose MCOO-SLAM, a novel Multi-Camera Omnidirectional Object SLAM system that fully leverages surround-view camera configurations to achieve robust, consistent, and semantically enriched mapping in complex outdoor scenarios. Our approach integrates point features and object-level landmarks enhanced with open-vocabulary semantics. A semantic-geometric-temporal fusion strategy is introduced for robust object association across multiple views, leading to improved consistency and accurate object modeling, and an omnidirectional loop closure module is designed to enable viewpoint-invariant place recognition using scene-level descriptors. Furthermore, the constructed map is abstracted into a hierarchical 3D scene graph to support downstream reasoning tasks. Extensive experiments in real-world demonstrate that MCOO-SLAM achieves accurate localization and scalable object-level mapping with improved robustness to occlusion, pose variation, and environmental complexity.
☆ A Real-time Endoscopic Image Denoising System
Endoscopes featuring a miniaturized design have significantly enhanced operational flexibility, portability, and diagnostic capability while substantially reducing the invasiveness of medical procedures. Recently, single-use endoscopes equipped with an ultra-compact analogue image sensor measuring less than 1mm x 1mm bring revolutionary advancements to medical diagnosis. They reduce the structural redundancy and large capital expenditures associated with reusable devices, eliminate the risk of patient infections caused by inadequate disinfection, and alleviate patient suffering. However, the limited photosensitive area results in reduced photon capture per pixel, requiring higher photon sensitivity settings to maintain adequate brightness. In high-contrast medical imaging scenarios, the small-sized sensor exhibits a constrained dynamic range, making it difficult to simultaneously capture details in both highlights and shadows, and additional localized digital gain is required to compensate. Moreover, the simplified circuit design and analog signal transmission introduce additional noise sources. These factors collectively contribute to significant noise issues in processed endoscopic images. In this work, we developed a comprehensive noise model for analog image sensors in medical endoscopes, addressing three primary noise types: fixed-pattern noise, periodic banding noise, and mixed Poisson-Gaussian noise. Building on this analysis, we propose a hybrid denoising system that synergistically combines traditional image processing algorithms with advanced learning-based techniques for captured raw frames from sensors. Experiments demonstrate that our approach effectively reduces image noise without fine detail loss or color distortion, while achieving real-time performance on FPGA platforms and an average PSNR improvement from 21.16 to 33.05 on our test dataset.
☆ When Model Knowledge meets Diffusion Model: Diffusion-assisted Data-free Image Synthesis with Alignment of Domain and Class ICML 2025
Open-source pre-trained models hold great potential for diverse applications, but their utility declines when their training data is unavailable. Data-Free Image Synthesis (DFIS) aims to generate images that approximate the learned data distribution of a pre-trained model without accessing the original data. However, existing DFIS meth ods produce samples that deviate from the training data distribution due to the lack of prior knowl edge about natural images. To overcome this limitation, we propose DDIS, the first Diffusion-assisted Data-free Image Synthesis method that leverages a text-to-image diffusion model as a powerful image prior, improving synthetic image quality. DDIS extracts knowledge about the learned distribution from the given model and uses it to guide the diffusion model, enabling the generation of images that accurately align with the training data distribution. To achieve this, we introduce Domain Alignment Guidance (DAG) that aligns the synthetic data domain with the training data domain during the diffusion sampling process. Furthermore, we optimize a single Class Alignment Token (CAT) embedding to effectively capture class-specific attributes in the training dataset. Experiments on PACS and Ima geNet demonstrate that DDIS outperforms prior DFIS methods by generating samples that better reflect the training data distribution, achieving SOTA performance in data-free applications.
comment: Published at ICML 2025
☆ Unsupervised Pelage Pattern Unwrapping for Animal Re-identification
Existing individual re-identification methods often struggle with the deformable nature of animal fur or skin patterns which undergo geometric distortions due to body movement and posture changes. In this paper, we propose a geometry-aware texture mapping approach that unwarps pelage patterns, the unique markings found on an animal's skin or fur, into a canonical UV space, enabling more robust feature matching. Our method uses surface normal estimation to guide the unwrapping process while preserving the geometric consistency between the 3D surface and the 2D texture space. We focus on two challenging species: Saimaa ringed seals (Pusa hispida saimensis) and leopards (Panthera pardus). Both species have distinctive yet highly deformable fur patterns. By integrating our pattern-preserving UV mapping with existing re-identification techniques, we demonstrate improved accuracy across diverse poses and viewing angles. Our framework does not require ground truth UV annotations and can be trained in a self-supervised manner. Experiments on seal and leopard datasets show up to a 5.4% improvement in re-identification accuracy.
☆ Open-World Object Counting in Videos
We introduce a new task of open-world object counting in videos: given a text description, or an image example, that specifies the target object, the objective is to enumerate all the unique instances of the target objects in the video. This task is especially challenging in crowded scenes with occlusions and similar objects, where avoiding double counting and identifying reappearances is crucial. To this end, we make the following contributions: we introduce a model, CountVid, for this task. It leverages an image-based counting model, and a promptable video segmentation and tracking model to enable automated, open-world object counting across video frames. To evaluate its performance, we introduce VideoCount, a new dataset for our novel task built from the TAO and MOT20 tracking datasets, as well as from videos of penguins and metal alloy crystallization captured by x-rays. Using this dataset, we demonstrate that CountVid provides accurate object counts, and significantly outperforms strong baselines. The VideoCount dataset, the CountVid model, and all the code are available at https://github.com/niki-amini-naieni/CountVid/.
☆ FedWSIDD: Federated Whole Slide Image Classification via Dataset Distillation MICCAI 2025
Federated learning (FL) has emerged as a promising approach for collaborative medical image analysis, enabling multiple institutions to build robust predictive models while preserving sensitive patient data. In the context of Whole Slide Image (WSI) classification, FL faces significant challenges, including heterogeneous computational resources across participating medical institutes and privacy concerns. To address these challenges, we propose FedWSIDD, a novel FL paradigm that leverages dataset distillation (DD) to learn and transmit synthetic slides. On the server side, FedWSIDD aggregates synthetic slides from participating centres and distributes them across all centres. On the client side, we introduce a novel DD algorithm tailored to histopathology datasets which incorporates stain normalisation into the distillation process to generate a compact set of highly informative synthetic slides. These synthetic slides, rather than model parameters, are transmitted to the server. After communication, the received synthetic slides are combined with original slides for local tasks. Extensive experiments on multiple WSI classification tasks, including CAMELYON16 and CAMELYON17, demonstrate that FedWSIDD offers flexibility for heterogeneous local models, enhances local WSI classification performance, and preserves patient privacy. This makes it a highly effective solution for complex WSI classification tasks. The code is available at FedWSIDD.
comment: MICCAI 2025
☆ OpenPath: Open-Set Active Learning for Pathology Image Classification via Pre-trained Vision-Language Models MICCAI 2025
Pathology image classification plays a crucial role in accurate medical diagnosis and treatment planning. Training high-performance models for this task typically requires large-scale annotated datasets, which are both expensive and time-consuming to acquire. Active Learning (AL) offers a solution by iteratively selecting the most informative samples for annotation, thereby reducing the labeling effort. However, most AL methods are designed under the assumption of a closed-set scenario, where all the unannotated images belong to target classes. In real-world clinical environments, the unlabeled pool often contains a substantial amount of Out-Of-Distribution (OOD) data, leading to low efficiency of annotation in traditional AL methods. Furthermore, most existing AL methods start with random selection in the first query round, leading to a significant waste of labeling costs in open-set scenarios. To address these challenges, we propose OpenPath, a novel open-set active learning approach for pathological image classification leveraging a pre-trained Vision-Language Model (VLM). In the first query, we propose task-specific prompts that combine target and relevant non-target class prompts to effectively select In-Distribution (ID) and informative samples from the unlabeled pool. In subsequent queries, Diverse Informative ID Sampling (DIS) that includes Prototype-based ID candidate Selection (PIS) and Entropy-Guided Stochastic Sampling (EGSS) is proposed to ensure both purity and informativeness in a query, avoiding the selection of OOD samples. Experiments on two public pathology image datasets show that OpenPath significantly enhances the model's performance due to its high purity of selected samples, and outperforms several state-of-the-art open-set AL methods. The code is available at \href{https://github.com/HiLab-git/OpenPath}{https://github.com/HiLab-git/OpenPath}..
comment: MICCAI 2025 early accept
☆ MapFM: Foundation Model-Driven HD Mapping with Multi-Task Contextual Learning
In autonomous driving, high-definition (HD) maps and semantic maps in bird's-eye view (BEV) are essential for accurate localization, planning, and decision-making. This paper introduces an enhanced End-to-End model named MapFM for online vectorized HD map generation. We show significantly boost feature representation quality by incorporating powerful foundation model for encoding camera images. To further enrich the model's understanding of the environment and improve prediction quality, we integrate auxiliary prediction heads for semantic segmentation in the BEV representation. This multi-task learning approach provides richer contextual supervision, leading to a more comprehensive scene representation and ultimately resulting in higher accuracy and improved quality of the predicted vectorized HD maps. The source code is available at https://github.com/LIvanoff/MapFM.
comment: Preprint. Submitted. 12 pages, 4 figures
☆ One-shot Face Sketch Synthesis in the Wild via Generative Diffusion Prior and Instruction Tuning
Face sketch synthesis is a technique aimed at converting face photos into sketches. Existing face sketch synthesis research mainly relies on training with numerous photo-sketch sample pairs from existing datasets. However, these large-scale discriminative learning methods will have to face problems such as data scarcity and high human labor costs. Once the training data becomes scarce, their generative performance significantly degrades. In this paper, we propose a one-shot face sketch synthesis method based on diffusion models. We optimize text instructions on a diffusion model using face photo-sketch image pairs. Then, the instructions derived through gradient-based optimization are used for inference. To simulate real-world scenarios more accurately and evaluate method effectiveness more comprehensively, we introduce a new benchmark named One-shot Face Sketch Dataset (OS-Sketch). The benchmark consists of 400 pairs of face photo-sketch images, including sketches with different styles and photos with different backgrounds, ages, sexes, expressions, illumination, etc. For a solid out-of-distribution evaluation, we select only one pair of images for training at each time, with the rest used for inference. Extensive experiments demonstrate that the proposed method can convert various photos into realistic and highly consistent sketches in a one-shot context. Compared to other methods, our approach offers greater convenience and broader applicability. The dataset will be available at: https://github.com/HanWu3125/OS-Sketch
comment: We propose a novel framework for face sketch synthesis, where merely a single pair of samples suffices to enable in-the-wild face sketch synthesis
☆ MEGC2025: Micro-Expression Grand Challenge on Spot Then Recognize and Visual Question Answering
Facial micro-expressions (MEs) are involuntary movements of the face that occur spontaneously when a person experiences an emotion but attempts to suppress or repress the facial expression, typically found in a high-stakes environment. In recent years, substantial advancements have been made in the areas of ME recognition, spotting, and generation. However, conventional approaches that treat spotting and recognition as separate tasks are suboptimal, particularly for analyzing long-duration videos in realistic settings. Concurrently, the emergence of multimodal large language models (MLLMs) and large vision-language models (LVLMs) offers promising new avenues for enhancing ME analysis through their powerful multimodal reasoning capabilities. The ME grand challenge (MEGC) 2025 introduces two tasks that reflect these evolving research directions: (1) ME spot-then-recognize (ME-STR), which integrates ME spotting and subsequent recognition in a unified sequential pipeline; and (2) ME visual question answering (ME-VQA), which explores ME understanding through visual question answering, leveraging MLLMs or LVLMs to address diverse question types related to MEs. All participating algorithms are required to run on this test set and submit their results on a leaderboard. More details are available at https://megc2025.github.io.
comment: Micro-Expression Grand Challenge (MEGC) at ACM MM 2025
☆ Human Motion Capture from Loose and Sparse Inertial Sensors with Garment-aware Diffusion Models IJCAI 2025
Motion capture using sparse inertial sensors has shown great promise due to its portability and lack of occlusion issues compared to camera-based tracking. Existing approaches typically assume that IMU sensors are tightly attached to the human body. However, this assumption often does not hold in real-world scenarios. In this paper, we present a new task of full-body human pose estimation using sparse, loosely attached IMU sensors. To solve this task, we simulate IMU recordings from an existing garment-aware human motion dataset. We developed transformer-based diffusion models to synthesize loose IMU data and estimate human poses based on this challenging loose IMU data. In addition, we show that incorporating garment-related parameters while training the model on simulated loose data effectively maintains expressiveness and enhances the ability to capture variations introduced by looser or tighter garments. Experiments show that our proposed diffusion methods trained on simulated and synthetic data outperformed the state-of-the-art methods quantitatively and qualitatively, opening up a promising direction for future research.
comment: Accepted by IJCAI 2025
☆ AI-driven visual monitoring of industrial assembly tasks
Visual monitoring of industrial assembly tasks is critical for preventing equipment damage due to procedural errors and ensuring worker safety. Although commercial solutions exist, they typically require rigid workspace setups or the application of visual markers to simplify the problem. We introduce ViMAT, a novel AI-driven system for real-time visual monitoring of assembly tasks that operates without these constraints. ViMAT combines a perception module that extracts visual observations from multi-view video streams with a reasoning module that infers the most likely action being performed based on the observed assembly state and prior task knowledge. We validate ViMAT on two assembly tasks, involving the replacement of LEGO components and the reconfiguration of hydraulic press molds, demonstrating its effectiveness through quantitative and qualitative analysis in challenging real-world scenarios characterized by partial and uncertain visual observations. Project page: https://tev-fbk.github.io/ViMAT
☆ BCRNet: Enhancing Landmark Detection in Laparoscopic Liver Surgery via Bezier Curve Refinement MICCAI 2025
Laparoscopic liver surgery, while minimally invasive, poses significant challenges in accurately identifying critical anatomical structures. Augmented reality (AR) systems, integrating MRI/CT with laparoscopic images based on 2D-3D registration, offer a promising solution for enhancing surgical navigation. A vital aspect of the registration progress is the precise detection of curvilinear anatomical landmarks in laparoscopic images. In this paper, we propose BCRNet (Bezier Curve Refinement Net), a novel framework that significantly enhances landmark detection in laparoscopic liver surgery primarily via the Bezier curve refinement strategy. The framework starts with a Multi-modal Feature Extraction (MFE) module designed to robustly capture semantic features. Then we propose Adaptive Curve Proposal Initialization (ACPI) to generate pixel-aligned Bezier curves and confidence scores for reliable initial proposals. Additionally, we design the Hierarchical Curve Refinement (HCR) mechanism to enhance these proposals iteratively through a multi-stage process, capturing fine-grained contextual details from multi-scale pixel-level features for precise Bezier curve adjustment. Extensive evaluations on the L3D and P2ILF datasets demonstrate that BCRNet outperforms state-of-the-art methods, achieving significant performance improvements. Code will be available.
comment: Accepted at MICCAI 2025, 11 pages, 2 figures
☆ MSNeRV: Neural Video Representation with Multi-Scale Feature Fusion
Implicit Neural representations (INRs) have emerged as a promising approach for video compression, and have achieved comparable performance to the state-of-the-art codecs such as H.266/VVC. However, existing INR-based methods struggle to effectively represent detail-intensive and fast-changing video content. This limitation mainly stems from the underutilization of internal network features and the absence of video-specific considerations in network design. To address these challenges, we propose a multi-scale feature fusion framework, MSNeRV, for neural video representation. In the encoding stage, we enhance temporal consistency by employing temporal windows, and divide the video into multiple Groups of Pictures (GoPs), where a GoP-level grid is used for background representation. Additionally, we design a multi-scale spatial decoder with a scale-adaptive loss function to integrate multi-resolution and multi-frequency information. To further improve feature extraction, we introduce a multi-scale feature block that fully leverages hidden features. We evaluate MSNeRV on HEVC ClassB and UVG datasets for video representation and compression. Experimental results demonstrate that our model exhibits superior representation capability among INR-based approaches and surpasses VTM-23.7 (Random Access) in dynamic scenarios in terms of compression efficiency.
☆ Domain Adaptation for Image Classification of Defects in Semiconductor Manufacturing
In the semiconductor sector, due to high demand but also strong and increasing competition, time to market and quality are key factors in securing significant market share in various application areas. Thanks to the success of deep learning methods in recent years in the computer vision domain, Industry 4.0 and 5.0 applications, such as defect classification, have achieved remarkable success. In particular, Domain Adaptation (DA) has proven highly effective since it focuses on using the knowledge learned on a (source) domain to adapt and perform effectively on a different but related (target) domain. By improving robustness and scalability, DA minimizes the need for extensive manual re-labeling or re-training of models. This not only reduces computational and resource costs but also allows human experts to focus on high-value tasks. Therefore, we tested the efficacy of DA techniques in semi-supervised and unsupervised settings within the context of the semiconductor field. Moreover, we propose the DBACS approach, a CycleGAN-inspired model enhanced with additional loss terms to improve performance. All the approaches are studied and validated on real-world Electron Microscope images considering the unsupervised and semi-supervised settings, proving the usefulness of our method in advancing DA techniques for the semiconductor field.
☆ Privacy-Preserving Chest X-ray Classification in Latent Space with Homomorphically Encrypted Neural Inference
Medical imaging data contain sensitive patient information requiring strong privacy protection. Many analytical setups require data to be sent to a server for inference purposes. Homomorphic encryption (HE) provides a solution by allowing computations to be performed on encrypted data without revealing the original information. However, HE inference is computationally expensive, particularly for large images (e.g., chest X-rays). In this study, we propose an HE inference framework for medical images that uses VQGAN to compress images into latent representations, thereby significantly reducing the computational burden while preserving image quality. We approximate the activation functions with lower-degree polynomials to balance the accuracy and efficiency in compliance with HE requirements. We observed that a downsampling factor of eight for compression achieved an optimal balance between performance and computational cost. We further adapted the squeeze and excitation module, which is known to improve traditional CNNs, to enhance the HE framework. Our method was tested on two chest X-ray datasets for multi-label classification tasks using vanilla CNN backbones. Although HE inference remains relatively slow and introduces minor performance differences compared with unencrypted inference, our approach shows strong potential for practical use in medical images
comment: 11 pages, 5 figures
☆ Retrospective Memory for Camouflaged Object Detection
Camouflaged object detection (COD) primarily focuses on learning subtle yet discriminative representations from complex scenes. Existing methods predominantly follow the parametric feedforward architecture based on static visual representation modeling. However, they lack explicit mechanisms for acquiring historical context, limiting their adaptation and effectiveness in handling challenging camouflage scenes. In this paper, we propose a recall-augmented COD architecture, namely RetroMem, which dynamically modulates camouflage pattern perception and inference by integrating relevant historical knowledge into the process. Specifically, RetroMem employs a two-stage training paradigm consisting of a learning stage and a recall stage to construct, update, and utilize memory representations effectively. During the learning stage, we design a dense multi-scale adapter (DMA) to improve the pretrained encoder's capability to capture rich multi-scale visual information with very few trainable parameters, thereby providing foundational inferences. In the recall stage, we propose a dynamic memory mechanism (DMM) and an inference pattern reconstruction (IPR). These components fully leverage the latent relationships between learned knowledge and current sample context to reconstruct the inference of camouflage patterns, thereby significantly improving the model's understanding of camouflage scenes. Extensive experiments on several widely used datasets demonstrate that our RetroMem significantly outperforms existing state-of-the-art methods.
☆ RA-NeRF: Robust Neural Radiance Field Reconstruction with Accurate Camera Pose Estimation under Complex Trajectories
Neural Radiance Fields (NeRF) and 3D Gaussian Splatting (3DGS) have emerged as powerful tools for 3D reconstruction and SLAM tasks. However, their performance depends heavily on accurate camera pose priors. Existing approaches attempt to address this issue by introducing external constraints but fall short of achieving satisfactory accuracy, particularly when camera trajectories are complex. In this paper, we propose a novel method, RA-NeRF, capable of predicting highly accurate camera poses even with complex camera trajectories. Following the incremental pipeline, RA-NeRF reconstructs the scene using NeRF with photometric consistency and incorporates flow-driven pose regulation to enhance robustness during initialization and localization. Additionally, RA-NeRF employs an implicit pose filter to capture the camera movement pattern and eliminate the noise for pose estimation. To validate our method, we conduct extensive experiments on the Tanks\&Temple dataset for standard evaluation, as well as the NeRFBuster dataset, which presents challenging camera pose trajectories. On both datasets, RA-NeRF achieves state-of-the-art results in both camera pose estimation and visual quality, demonstrating its effectiveness and robustness in scene reconstruction under complex pose trajectories.
comment: IROS 2025
☆ Convolutional Feature Enhancement and Attention Fusion BiFPN for Ship Detection in SAR Images
Synthetic Aperture Radar (SAR) enables submeter-resolution imaging and all-weather monitoring via active microwave and advanced signal processing. Currently, SAR has found extensive applications in critical maritime domains such as ship detection. However, SAR ship detection faces several challenges, including significant scale variations among ships, the presence of small offshore vessels mixed with noise, and complex backgrounds for large nearshore ships. To address these issues, this paper proposes a novel feature enhancement and fusion framework named C-AFBiFPN. C-AFBiFPN constructs a Convolutional Feature Enhancement (CFE) module following the backbone network, aiming to enrich feature representation and enhance the ability to capture and represent local details and contextual information. Furthermore, C-AFBiFPN innovatively integrates BiFormer attention within the fusion strategy of BiFPN, creating the AFBiFPN network. AFBiFPN improves the global modeling capability of cross-scale feature fusion and can adaptively focus on critical feature regions. The experimental results on SAR Ship Detection Dataset (SSDD) indicate that the proposed approach substantially enhances detection accuracy for small targets, robustness against occlusions, and adaptability to multi-scale features.
comment: 5 pages, 4 figures, 2 tables. Code available at https://github.com/mlj666219/C-AFBiFPN/tree/master
☆ video-SALMONN 2: Captioning-Enhanced Audio-Visual Large Language Models
Videos contain a wealth of information, and generating detailed and accurate descriptions in natural language is a key aspect of video understanding. In this paper, we present video-SALMONN 2, an advanced audio-visual large language model (LLM) with low-rank adaptation (LoRA) designed for enhanced video (with paired audio) captioning through directed preference optimisation (DPO). We propose new metrics to evaluate the completeness and accuracy of video descriptions, which are optimised using DPO. To further improve training, we propose a novel multi-round DPO (MrDPO) approach, which involves periodically updating the DPO reference model, merging and re-initialising the LoRA module as a proxy for parameter updates after each training round (1,000 steps), and incorporating guidance from ground-truth video captions to stabilise the process. Experimental results show that MrDPO significantly enhances video-SALMONN 2's captioning accuracy, reducing the captioning error rates by 28\%. The final video-SALMONN 2 model, with just 7 billion parameters, surpasses leading models such as GPT-4o and Gemini-1.5-Pro in video captioning tasks, while maintaining highly competitive performance to the state-of-the-art on widely used video question-answering benchmarks among models of similar size. Codes are available at \href{https://github.com/bytedance/video-SALMONN-2}{https://github.com/bytedance/video-SALMONN-2}.
☆ DM-FNet: Unified multimodal medical image fusion via diffusion process-trained encoder-decoder
Multimodal medical image fusion (MMIF) extracts the most meaningful information from multiple source images, enabling a more comprehensive and accurate diagnosis. Achieving high-quality fusion results requires a careful balance of brightness, color, contrast, and detail; this ensures that the fused images effectively display relevant anatomical structures and reflect the functional status of the tissues. However, existing MMIF methods have limited capacity to capture detailed features during conventional training and suffer from insufficient cross-modal feature interaction, leading to suboptimal fused image quality. To address these issues, this study proposes a two-stage diffusion model-based fusion network (DM-FNet) to achieve unified MMIF. In Stage I, a diffusion process trains UNet for image reconstruction. UNet captures detailed information through progressive denoising and represents multilevel data, providing a rich set of feature representations for the subsequent fusion network. In Stage II, noisy images at various steps are input into the fusion network to enhance the model's feature recognition capability. Three key fusion modules are also integrated to process medical images from different modalities adaptively. Ultimately, the robust network structure and a hybrid loss function are integrated to harmonize the fused image's brightness, color, contrast, and detail, enhancing its quality and information density. The experimental results across various medical image types demonstrate that the proposed method performs exceptionally well regarding objective evaluation metrics. The fused image preserves appropriate brightness, a comprehensive distribution of radioactive tracers, rich textures, and clear edges. The code is available at https://github.com/HeDan-11/DM-FNet.
comment: This paper has been accepted by IEEE Transactions on Multimedia (TMM) in March 2025
☆ Privacy-Shielded Image Compression: Defending Against Exploitation from Vision-Language Pretrained Models ICML 2025
The improved semantic understanding of vision-language pretrained (VLP) models has made it increasingly difficult to protect publicly posted images from being exploited by search engines and other similar tools. In this context, this paper seeks to protect users' privacy by implementing defenses at the image compression stage to prevent exploitation. Specifically, we propose a flexible coding method, termed Privacy-Shielded Image Compression (PSIC), that can produce bitstreams with multiple decoding options. By default, the bitstream is decoded to preserve satisfactory perceptual quality while preventing interpretation by VLP models. Our method also retains the original image compression functionality. With a customizable input condition, the proposed scheme can reconstruct the image that preserves its full semantic information. A Conditional Latent Trigger Generation (CLTG) module is proposed to produce bias information based on customizable conditions to guide the decoding process into different reconstructed versions, and an Uncertainty-Aware Encryption-Oriented (UAEO) optimization function is designed to leverage the soft labels inferred from the target VLP model's uncertainty on the training data. This paper further incorporates an adaptive multi-objective optimization strategy to obtain improved encrypting performance and perceptual quality simultaneously within a unified training process. The proposed scheme is plug-and-play and can be seamlessly integrated into most existing Learned Image Compression (LIC) models. Extensive experiments across multiple downstream tasks have demonstrated the effectiveness of our design.
comment: 11 pages, 6 figures, publised to ICML 2025
☆ Conquering the Retina: Bringing Visual in-Context Learning to OCT
Recent advancements in medical image analysis have led to the development of highly specialized models tailored to specific clinical tasks. These models have demonstrated exceptional performance and remain a crucial research direction. Yet, their applicability is limited to predefined tasks, requiring expertise and extensive resources for development and adaptation. In contrast, generalist models offer a different form of utility: allowing medical practitioners to define tasks on the fly without the need for task-specific model development. In this work, we explore how to train generalist models for the domain of retinal optical coherence tomography using visual in-context learning (VICL), i.e., training models to generalize across tasks based on a few examples provided at inference time. To facilitate rigorous assessment, we propose a broad evaluation protocol tailored to VICL in OCT. We extensively evaluate a state-of-the-art medical VICL approach on multiple retinal OCT datasets, establishing a first baseline to highlight the potential and current limitations of in-context learning for OCT. To foster further research and practical adoption, we openly release our code.
☆ Classification of Multi-Parametric Body MRI Series Using Deep Learning
Multi-parametric magnetic resonance imaging (mpMRI) exams have various series types acquired with different imaging protocols. The DICOM headers of these series often have incorrect information due to the sheer diversity of protocols and occasional technologist errors. To address this, we present a deep learning-based classification model to classify 8 different body mpMRI series types so that radiologists read the exams efficiently. Using mpMRI data from various institutions, multiple deep learning-based classifiers of ResNet, EfficientNet, and DenseNet are trained to classify 8 different MRI series, and their performance is compared. Then, the best-performing classifier is identified, and its classification capability under the setting of different training data quantities is studied. Also, the model is evaluated on the out-of-training-distribution datasets. Moreover, the model is trained using mpMRI exams obtained from different scanners in two training strategies, and its performance is tested. Experimental results show that the DenseNet-121 model achieves the highest F1-score and accuracy of 0.966 and 0.972 over the other classification models with p-value$<$0.05. The model shows greater than 0.95 accuracy when trained with over 729 studies of the training data, whose performance improves as the training data quantities grew larger. On the external data with the DLDS and CPTAC-UCEC datasets, the model yields 0.872 and 0.810 accuracy for each. These results indicate that in both the internal and external datasets, the DenseNet-121 model attains high accuracy for the task of classifying 8 body MRI series types.
☆ ReSeDis: A Dataset for Referring-based Object Search across Large-Scale Image Collections
Large-scale visual search engines are expected to solve a dual problem at once: (i) locate every image that truly contains the object described by a sentence and (ii) identify the object's bounding box or exact pixels within each hit. Existing techniques address only one side of this challenge. Visual grounding yields tight boxes and masks but rests on the unrealistic assumption that the object is present in every test image, producing a flood of false alarms when applied to web-scale collections. Text-to-image retrieval excels at sifting through massive databases to rank relevant images, yet it stops at whole-image matches and offers no fine-grained localization. We introduce Referring Search and Discovery (ReSeDis), the first task that unifies corpus-level retrieval with pixel-level grounding. Given a free-form description, a ReSeDis model must decide whether the queried object appears in each image and, if so, where it is, returning bounding boxes or segmentation masks. To enable rigorous study, we curate a benchmark in which every description maps uniquely to object instances scattered across a large, diverse corpus, eliminating unintended matches. We further design a task-specific metric that jointly scores retrieval recall and localization precision. Finally, we provide a straightforward zero-shot baseline using a frozen vision-language model, revealing significant headroom for future study. ReSeDis offers a realistic, end-to-end testbed for building the next generation of robust and scalable multimodal search systems.
☆ Echo-DND: A dual noise diffusion model for robust and precise left ventricle segmentation in echocardiography
Recent advancements in diffusion probabilistic models (DPMs) have revolutionized image processing, demonstrating significant potential in medical applications. Accurate segmentation of the left ventricle (LV) in echocardiograms is crucial for diagnostic procedures and necessary treatments. However, ultrasound images are notoriously noisy with low contrast and ambiguous LV boundaries, thereby complicating the segmentation process. To address these challenges, this paper introduces Echo-DND, a novel dual-noise diffusion model specifically designed for this task. Echo-DND leverages a unique combination of Gaussian and Bernoulli noises. It also incorporates a multi-scale fusion conditioning module to improve segmentation precision. Furthermore, it utilizes spatial coherence calibration to maintain spatial integrity in segmentation masks. The model's performance was rigorously validated on the CAMUS and EchoNet-Dynamic datasets. Extensive evaluations demonstrate that the proposed framework outperforms existing SOTA models. It achieves high Dice scores of 0.962 and 0.939 on these datasets, respectively. The proposed Echo-DND model establishes a new standard in echocardiogram segmentation, and its architecture holds promise for broader applicability in other medical imaging tasks, potentially improving diagnostic accuracy across various medical domains. Project page: https://abdur75648.github.io/Echo-DND
comment: Version of record published in Discover Applied Sciences (Springer Nature). The definitive article is available at https://doi.org/10.1007/s42452-025-07055-5
☆ Enhancing point cloud analysis via neighbor aggregation correction based on cross-stage structure correlation
Point cloud analysis is the cornerstone of many downstream tasks, among which aggregating local structures is the basis for understanding point cloud data. While numerous works aggregate neighbor using three-dimensional relative coordinates, there are irrelevant point interference and feature hierarchy gap problems due to the limitation of local coordinates. Although some works address this limitation by refining spatial description though explicit modeling of cross-stage structure, these enhancement methods based on direct geometric structure encoding have problems of high computational overhead and noise sensitivity. To overcome these problems, we propose the Point Distribution Set Abstraction module (PDSA) that utilizes the correlation in the high-dimensional space to correct the feature distribution during aggregation, which improves the computational efficiency and robustness. PDSA distinguishes the point correlation based on a lightweight cross-stage structural descriptor, and enhances structural homogeneity by reducing the variance of the neighbor feature matrix and increasing classes separability though long-distance modeling. Additionally, we introducing a key point mechanism to optimize the computational overhead. The experimental result on semantic segmentation and classification tasks based on different baselines verify the generalization of the method we proposed, and achieve significant performance improvement with less parameter cost. The corresponding ablation and visualization results demonstrate the effectiveness and rationality of our method. The code and training weight is available at: https://github.com/AGENT9717/PointDistribution
comment: 17 papes, 7 figures
☆ Robust Instant Policy: Leveraging Student's t-Regression Model for Robust In-context Imitation Learning of Robot Manipulation
Imitation learning (IL) aims to enable robots to perform tasks autonomously by observing a few human demonstrations. Recently, a variant of IL, called In-Context IL, utilized off-the-shelf large language models (LLMs) as instant policies that understand the context from a few given demonstrations to perform a new task, rather than explicitly updating network models with large-scale demonstrations. However, its reliability in the robotics domain is undermined by hallucination issues such as LLM-based instant policy, which occasionally generates poor trajectories that deviate from the given demonstrations. To alleviate this problem, we propose a new robust in-context imitation learning algorithm called the robust instant policy (RIP), which utilizes a Student's t-regression model to be robust against the hallucinated trajectories of instant policies to allow reliable trajectory generation. Specifically, RIP generates several candidate robot trajectories to complete a given task from an LLM and aggregates them using the Student's t-distribution, which is beneficial for ignoring outliers (i.e., hallucinations); thereby, a robust trajectory against hallucinations is generated. Our experiments, conducted in both simulated and real-world environments, show that RIP significantly outperforms state-of-the-art IL methods, with at least $26\%$ improvement in task success rates, particularly in low-data scenarios for everyday tasks. Video results available at https://sites.google.com/view/robustinstantpolicy.
comment: IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS) 2025 accepted
☆ SynPo: Boosting Training-Free Few-Shot Medical Segmentation via High-Quality Negative Prompts
The advent of Large Vision Models (LVMs) offers new opportunities for few-shot medical image segmentation. However, existing training-free methods based on LVMs fail to effectively utilize negative prompts, leading to poor performance on low-contrast medical images. To address this issue, we propose SynPo, a training-free few-shot method based on LVMs (e.g., SAM), with the core insight: improving the quality of negative prompts. To select point prompts in a more reliable confidence map, we design a novel Confidence Map Synergy Module by combining the strengths of DINOv2 and SAM. Based on the confidence map, we select the top-k pixels as the positive points set and choose the negative points set using a Gaussian distribution, followed by independent K-means clustering for both sets. Then, these selected points are leveraged as high-quality prompts for SAM to get the segmentation results. Extensive experiments demonstrate that SynPo achieves performance comparable to state-of-the-art training-based few-shot methods.
♻ ☆ Cosmos-Drive-Dreams: Scalable Synthetic Driving Data Generation with World Foundation Models
Collecting and annotating real-world data for safety-critical physical AI systems, such as Autonomous Vehicle (AV), is time-consuming and costly. It is especially challenging to capture rare edge cases, which play a critical role in training and testing of an AV system. To address this challenge, we introduce the Cosmos-Drive-Dreams - a synthetic data generation (SDG) pipeline that aims to generate challenging scenarios to facilitate downstream tasks such as perception and driving policy training. Powering this pipeline is Cosmos-Drive, a suite of models specialized from NVIDIA Cosmos world foundation model for the driving domain and are capable of controllable, high-fidelity, multi-view, and spatiotemporally consistent driving video generation. We showcase the utility of these models by applying Cosmos-Drive-Dreams to scale the quantity and diversity of driving datasets with high-fidelity and challenging scenarios. Experimentally, we demonstrate that our generated data helps in mitigating long-tail distribution problems and enhances generalization in downstream tasks such as 3D lane detection, 3D object detection and driving policy learning. We open source our pipeline toolkit, dataset and model weights through the NVIDIA's Cosmos platform. Project page: https://research.nvidia.com/labs/toronto-ai/cosmos_drive_dreams
comment: Only the core contributors are listed. The full list of contributors can be found in Appendix A of this paper
♻ ☆ Generalized Out-of-Distribution Detection and Beyond in Vision Language Model Era: A Survey
Detecting out-of-distribution (OOD) samples is crucial for ensuring the safety of machine learning systems and has shaped the field of OOD detection. Meanwhile, several other problems are closely related to OOD detection, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). To unify these problems, a generalized OOD detection framework was proposed, taxonomically categorizing these five problems. However, Vision Language Models (VLMs) such as CLIP have significantly changed the paradigm and blurred the boundaries between these fields, again confusing researchers. In this survey, we first present a generalized OOD detection v2, encapsulating the evolution of these fields in the VLM era. Our framework reveals that, with some field inactivity and integration, the demanding challenges have become OOD detection and AD. Then, we highlight the significant shift in the definition, problem settings, and benchmarks; we thus feature a comprehensive review of the methodology for OOD detection and related tasks to clarify their relationship to OOD detection. Finally, we explore the advancements in the emerging Large Vision Language Model (LVLM) era, such as GPT-4V. We conclude with open challenges and future directions. The resource is available at https://github.com/AtsuMiyai/Awesome-OOD-VLM.
comment: Accepted at TMLR2025. Survey paper. We welcome questions, issues, and paper requests via https://github.com/AtsuMiyai/Awesome-OOD-VLM
♻ ☆ Vision Transformers Don't Need Trained Registers
We investigate the mechanism underlying a previously identified phenomenon in Vision Transformers -- the emergence of high-norm tokens that lead to noisy attention maps. We observe that in multiple models (e.g., CLIP, DINOv2), a sparse set of neurons is responsible for concentrating high-norm activations on outlier tokens, leading to irregular attention patterns and degrading downstream visual processing. While the existing solution for removing these outliers involves retraining models from scratch with additional learned register tokens, we use our findings to create a training-free approach to mitigate these artifacts. By shifting the high-norm activations from our discovered register neurons into an additional untrained token, we can mimic the effect of register tokens on a model already trained without registers. We demonstrate that our method produces cleaner attention and feature maps, enhances performance over base models across multiple downstream visual tasks, and achieves results comparable to models explicitly trained with register tokens. We then extend test-time registers to off-the-shelf vision-language models to improve their interpretability. Our results suggest that test-time registers effectively take on the role of register tokens at test-time, offering a training-free solution for any pre-trained model released without them.
comment: Project page and code: https://avdravid.github.io/test-time-registers
♻ ☆ I2I-Mamba: Multi-modal medical image synthesis via selective state space modeling
Multi-modal medical image synthesis involves nonlinear transformation of tissue signals between source and target modalities, where tissues exhibit contextual interactions across diverse spatial distances. As such, the utility of a network architecture in synthesis depends on its ability to express these contextual features. Convolutional neural networks (CNNs) offer high local precision at the expense of poor sensitivity to long-range context. While transformers promise to alleviate this issue, they suffer from an unfavorable trade-off between sensitivity to long- versus short-range context due to the intrinsic complexity of attention filters. To effectively capture contextual features while avoiding the complexity-driven trade-offs, here we introduce a novel multi-modal synthesis method, I2I-Mamba, based on the state space modeling (SSM) framework. Focusing on semantic representations across a hybrid residual architecture, I2I-Mamba leverages novel dual-domain Mamba (ddMamba) blocks for complementary contextual modeling in image and Fourier domains, while maintaining spatial precision with convolutional layers. Diverting from conventional raster-scan trajectories, ddMamba leverages novel SSM operators based on a spiral-scan trajectory to learn context with enhanced radial coverage and angular isotropy, and a channel-mixing layer to aggregate context across the channel dimension. Comprehensive demonstrations on multi-contrast MRI and MRI-CT protocols indicate that I2I-Mamba offers superior performance against state-of-the-art CNNs, transformers and SSMs.
comment: 14 pages, 6 figures
♻ ☆ A dataset of high-resolution plantar pressures for gait analysis across varying footwear and walking speeds
Gait refers to the patterns of limb movement generated during walking, which are unique to each individual due to both physical and behavioral traits. Walking patterns have been widely studied in biometrics, biomechanics, sports, and rehabilitation. While traditional methods rely on video and motion capture, advances in plantar pressure sensing technology now offer deeper insights into gait. However, underfoot pressures during walking remain underexplored due to the lack of large, publicly accessible datasets. To address this, we introduce the UNB StepUP-P150 dataset: a footStep database for gait analysis and recognition using Underfoot Pressure, including data from 150 individuals. This dataset comprises high-resolution plantar pressure data (4 sensors per cm-squared) collected using a 1.2m by 3.6m pressure-sensing walkway. It contains over 200,000 footsteps from participants walking with various speeds (preferred, slow-to-stop, fast, and slow) and footwear conditions (barefoot, standard shoes, and two personal shoes), supporting advancements in biometric gait recognition and presenting new research opportunities in biomechanics and deep learning. UNB StepUP-P150 establishes a new benchmark for plantar pressure-based gait analysis and recognition.
♻ ☆ VideoHallu: Evaluating and Mitigating Multi-modal Hallucinations on Synthetic Video Understanding
Synthetic video generation has gained significant attention for its realism and broad applications, but remains prone to violations of common sense and physical laws. This highlights the need for reliable abnormality detectors that understand such principles and are robust to hallucinations. To address this, we introduce VideoHallu, a benchmark of over 3,000 video QA pairs built from synthetic videos generated by models like Veo2, Sora, and Kling, paired with expert-crafted counterintuitive QA to evaluate the critical thinking abilities of Multi-modal Large Language Models (MLLMs) on abnormalities that are perceptually obvious to humans but often hallucinated due to language priors. VideoHallu evaluates MLLMs' abnormality detection abilities with examples across alignment, consistency, commonsense, and physics. We benchmark SOTA MLLMs, including GPT-4o, Gemini-2.5-Pro, Qwen2.5-VL, Video-R1, and VideoChat-R1. We observe that these models perform well on many real-world benchmarks like MVBench and MovieChat, but still struggle with basic physics-based and commonsense reasoning in synthetic videos. We further show that post-training with Group Relative Policy Optimization (GRPO), using curriculum learning on datasets combining video QA with counterintuitive commonsense and physics reasoning over real and synthetic videos, improves MLLMs' abnormality detection and critical thinking, demonstrating the value of targeted training for improving their understanding of commonsense and physical laws. Our code is available at https://github.com/zli12321/VideoHallu.git.
♻ ☆ RDD: Robust Feature Detector and Descriptor using Deformable Transformer
As a core step in structure-from-motion and SLAM, robust feature detection and description under challenging scenarios such as significant viewpoint changes remain unresolved despite their ubiquity. While recent works have identified the importance of local features in modeling geometric transformations, these methods fail to learn the visual cues present in long-range relationships. We present Robust Deformable Detector (RDD), a novel and robust keypoint detector/descriptor leveraging the deformable transformer, which captures global context and geometric invariance through deformable self-attention mechanisms. Specifically, we observed that deformable attention focuses on key locations, effectively reducing the search space complexity and modeling the geometric invariance. Furthermore, we collected an Air-to-Ground dataset for training in addition to the standard MegaDepth dataset. Our proposed method outperforms all state-of-the-art keypoint detection/description methods in sparse matching tasks and is also capable of semi-dense matching. To ensure comprehensive evaluation, we introduce two challenging benchmarks: one emphasizing large viewpoint and scale variations, and the other being an Air-to-Ground benchmark -- an evaluation setting that has recently gaining popularity for 3D reconstruction across different altitudes.
♻ ☆ TARDIS STRIDE: A Spatio-Temporal Road Image Dataset and World Model for Autonomy
World models aim to simulate environments and enable effective agent behavior. However, modeling real-world environments presents unique challenges as they dynamically change across both space and, crucially, time. To capture these composed dynamics, we introduce a Spatio-Temporal Road Image Dataset for Exploration (STRIDE) permuting 360-degree panoramic imagery into rich interconnected observation, state and action nodes. Leveraging this structure, we can simultaneously model the relationship between egocentric views, positional coordinates, and movement commands across both space and time. We benchmark this dataset via TARDIS, a transformer-based generative world model that integrates spatial and temporal dynamics through a unified autoregressive framework trained on STRIDE. We demonstrate robust performance across a range of agentic tasks such as controllable photorealistic image synthesis, instruction following, autonomous self-control, and state-of-the-art georeferencing. These results suggest a promising direction towards sophisticated generalist agents--capable of understanding and manipulating the spatial and temporal aspects of their material environments--with enhanced embodied reasoning capabilities. Training code, datasets, and model checkpoints are made available at https://huggingface.co/datasets/Tera-AI/STRIDE.
comment: Computer Vision, Pattern Recognition, Early-Fusion, Dataset, Data Augmentation
LaViDa: A Large Diffusion Language Model for Multimodal Understanding
Modern Vision-Language Models (VLMs) can solve a wide range of tasks requiring visual reasoning. In real-world scenarios, desirable properties for VLMs include fast inference and controllable generation (e.g., constraining outputs to adhere to a desired format). However, existing autoregressive (AR) VLMs like LLaVA struggle in these aspects. Discrete diffusion models (DMs) offer a promising alternative, enabling parallel decoding for faster inference and bidirectional context for controllable generation through text-infilling. While effective in language-only settings, DMs' potential for multimodal tasks is underexplored. We introduce LaViDa, a family of VLMs built on DMs. We build LaViDa by equipping DMs with a vision encoder and jointly fine-tune the combined parts for multimodal instruction following. To address challenges encountered, LaViDa incorporates novel techniques such as complementary masking for effective training, prefix KV cache for efficient inference, and timestep shifting for high-quality sampling. Experiments show that LaViDa achieves competitive or superior performance to AR VLMs on multi-modal benchmarks such as MMMU, while offering unique advantages of DMs, including flexible speed-quality tradeoff, controllability, and bidirectional reasoning. On COCO captioning, LaViDa surpasses Open-LLaVa-Next-8B by +4.1 CIDEr with 1.92x speedup. On bidirectional tasks, it achieves +59% improvement on Constrained Poem Completion. These results demonstrate LaViDa as a strong alternative to AR VLMs. Code and models will be released in the camera-ready version.
comment: 26 pages, 8 figures
♻ ☆ Exploring Personalized Federated Learning Architectures for Violence Detection in Surveillance Videos
The challenge of detecting violent incidents in urban surveillance systems is compounded by the voluminous and diverse nature of video data. This paper presents a targeted approach using Personalized Federated Learning (PFL) to address these issues, specifically employing the Federated Learning with Personalization Layers method within the Flower framework. Our methodology adapts learning models to the unique data characteristics of each surveillance node, effectively managing the heterogeneous and non-IID nature of surveillance video data. Through rigorous experiments conducted on balanced and imbalanced datasets, our PFL models demonstrated enhanced accuracy and efficiency, achieving up to 99.3% accuracy. This study underscores the potential of PFL to significantly improve the scalability and effectiveness of surveillance systems, offering a robust, privacy-preserving solution for violence detection in complex urban environments.
comment: 7 pages, 5 figures, 4 tables
♻ ☆ A Comprehensive Survey on Continual Learning in Generative Models
The rapid advancement of generative models has enabled modern AI systems to comprehend and produce highly sophisticated content, even achieving human-level performance in specific domains. However, these models remain fundamentally constrained by catastrophic forgetting - a persistent challenge where adapting to new tasks typically leads to significant degradation in performance on previously learned tasks. To address this practical limitation, numerous approaches have been proposed to enhance the adaptability and scalability of generative models in real-world applications. In this work, we present a comprehensive survey of continual learning methods for mainstream generative models, including large language models, multimodal large language models, vision language action models, and diffusion models. Drawing inspiration from the memory mechanisms of the human brain, we systematically categorize these approaches into three paradigms: architecture-based, regularization-based, and replay-based methods, while elucidating their underlying methodologies and motivations. We further analyze continual learning setups for different generative models, including training objectives, benchmarks, and core backbones, offering deeper insights into the field. The project page of this paper is available at https://github.com/Ghy0501/Awesome-Continual-Learning-in-Generative-Models.
comment: Preprint
♻ ☆ EgoBlind: Towards Egocentric Visual Assistance for the Blind
We present EgoBlind, the first egocentric VideoQA dataset collected from blind individuals to evaluate the assistive capabilities of contemporary multimodal large language models (MLLMs). EgoBlind comprises 1,392 videos that record the daily lives of real blind users from a first-person perspective. It also features 5,311 questions directly posed or generated and verified by blind individuals to reflect their in-situation needs for visual assistance under various scenarios. We provide each question with an average of 3 reference answers to alleviate subjective evaluation. Using EgoBlind, we comprehensively evaluate 16 advanced MLLMs and find that all models struggle, with the best performers achieving accuracy near 60\%, far behind human performance of 87.4\%. To guide future advancements, we identify and summarize major limitations of existing MLLMs in egocentric visual assistance for the blind and explore heuristic solutions for improvement. With these efforts, we hope EgoBlind can serve as a valuable foundation for developing more effective AI assistants to enhance the independence of the blind individuals' lives. Data and evaluation code are available at https://github.com/doc-doc/EgoBlind.
comment: We extend and resplit the dataset
♻ ☆ Translation-Equivariance of Normalization Layers and Aliasing in Convolutional Neural Networks
The design of convolutional neural architectures that are exactly equivariant to continuous translations is an active field of research. It promises to benefit scientific computing, notably by making existing imaging systems more physically accurate. Most efforts focus on the design of downsampling/pooling layers, upsampling layers and activation functions, but little attention is dedicated to normalization layers. In this work, we present a novel theoretical framework for understanding the equivariance of normalization layers to discrete shifts and continuous translations. We also determine necessary and sufficient conditions for normalization layers to be equivariant in terms of the dimensions they operate on. Using real feature maps from ResNet-18 and ImageNet, we test those theoretical results empirically and find that they are consistent with our predictions.
comment: Accepted at the Workshop on the Theory of AI for Scientific Computing (COLT 2025)
♻ ☆ Unsourced Adversarial CAPTCHA: A Bi-Phase Adversarial CAPTCHA Framework
With the rapid advancements in deep learning, traditional CAPTCHA schemes are increasingly vulnerable to automated attacks powered by deep neural networks (DNNs). Existing adversarial attack methods often rely on original image characteristics, resulting in distortions that hinder human interpretation and limit applicability in scenarios lacking initial input images. To address these challenges, we propose the Unsourced Adversarial CAPTCHA (UAC), a novel framework generating high-fidelity adversarial examples guided by attacker-specified text prompts. Leveraging a Large Language Model (LLM), UAC enhances CAPTCHA diversity and supports both targeted and untargeted attacks. For targeted attacks, the EDICT method optimizes dual latent variables in a diffusion model for superior image quality. In untargeted attacks, especially for black-box scenarios, we introduce bi-path unsourced adversarial CAPTCHA (BP-UAC), a two-step optimization strategy employing multimodal gradients and bi-path optimization for efficient misclassification. Experiments show BP-UAC achieves high attack success rates across diverse systems, generating natural CAPTCHAs indistinguishable to humans and DNNs.
♻ ☆ Leveraging Depth and Language for Open-Vocabulary Domain-Generalized Semantic Segmentation
Open-Vocabulary semantic segmentation (OVSS) and domain generalization in semantic segmentation (DGSS) highlight a subtle complementarity that motivates Open-Vocabulary Domain-Generalized Semantic Segmentation (OV-DGSS). OV-DGSS aims to generate pixel-level masks for unseen categories while maintaining robustness across unseen domains, a critical capability for real-world scenarios such as autonomous driving in adverse conditions. We introduce Vireo, a novel single-stage framework for OV-DGSS that unifies the strengths of OVSS and DGSS for the first time. Vireo builds upon the frozen Visual Foundation Models (VFMs) and incorporates scene geometry via Depth VFMs to extract domain-invariant structural features. To bridge the gap between visual and textual modalities under domain shift, we propose three key components: (1) GeoText Prompts, which align geometric features with language cues and progressively refine VFM encoder representations; (2) Coarse Mask Prior Embedding (CMPE) for enhancing gradient flow for faster convergence and stronger textual influence; and (3) the Domain-Open-Vocabulary Vector Embedding Head (DOV-VEH), which fuses refined structural and semantic features for robust prediction. Comprehensive evaluation on these components demonstrates the effectiveness of our designs. Our proposed Vireo achieves the state-of-the-art performance and surpasses existing methods by a large margin in both domain generalization and open-vocabulary recognition, offering a unified and scalable solution for robust visual understanding in diverse and dynamic environments. Code is available at https://github.com/anonymouse-9c53tp182bvz/Vireo.
♻ ☆ YOLOv11-RGBT: Towards a Comprehensive Single-Stage Multispectral Object Detection Framework
Multispectral object detection, which integrates information from multiple bands, can enhance detection accuracy and environmental adaptability, holding great application potential across various fields. Although existing methods have made progress in cross-modal interaction, low-light conditions, and model lightweight, there are still challenges like the lack of a unified single-stage framework, difficulty in balancing performance and fusion strategy, and unreasonable modality weight allocation. To address these, based on the YOLOv11 framework, we present YOLOv11-RGBT, a new comprehensive multimodal object detection framework. We designed six multispectral fusion modes and successfully applied them to models from YOLOv3 to YOLOv12 and RT-DETR. After reevaluating the importance of the two modalities, we proposed a P3 mid-fusion strategy and multispectral controllable fine-tuning (MCF) strategy for multispectral models. These improvements optimize feature fusion, reduce redundancy and mismatches, and boost overall model performance. Experiments show our framework excels on three major open-source multispectral object detection datasets, like LLVIP and FLIR. Particularly, the multispectral controllable fine-tuning strategy significantly enhanced model adaptability and robustness. On the FLIR dataset, it consistently improved YOLOv11 models' mAP by 3.41%-5.65%, reaching a maximum of 47.61%, verifying the framework and strategies' effectiveness. The code is available at: https://github.com/wandahangFY/YOLOv11-RGBT.
comment: 29 pages, 8 figures . The errors in the first version have been corrected, and no new version will be submitted in the near future. The next version will include more experiments
♻ ☆ Instance-Adaptive Keypoint Learning with Local-to-Global Geometric Aggregation for Category-Level Object Pose Estimation
Category-level object pose estimation aims to predict the 6D pose and size of previously unseen instances from predefined categories, requiring strong generalization across diverse object instances. Although many previous methods attempt to mitigate intra-class variations, they often struggle with instances exhibiting complex geometries or significant deviations from canonical shapes. To address this issue, we propose INKL-Pose, a novel category-level object pose estimation framework that enables INstance-adaptive Keypoint Learning with local-to-global geometric aggregation. Specifically, our method first predicts semantically consistent and geometrically informative keypoints using an Instance-Adaptive Keypoint Detector, then refines them: (1) a Local Keypoint Feature Aggregator capturing fine-grained geometries, and (2) a Global Keypoint Feature Aggregator using bidirectional Mamba for structural consistency. To enable bidirectional modeling in Mamba, we introduce a simple yet effective Feature Sequence Flipping strategy that preserves spatial coherence while constructing backward feature sequence. Additionally, we design a surface loss and a separation loss to encourage uniform coverage and spatial diversity in keypoint distribution. The resulting keypoints are mapped to a canonical space for 6D pose and size regression. Extensive experiments on CAMERA25, REAL275, and HouseCat6D show that INKL-Pose achieves state-of-the-art performance with 16.7M parameters and runs at 36 FPS on an NVIDIA RTX 4090D GPU.
♻ ☆ RefChartQA: Grounding Visual Answer on Chart Images through Instruction Tuning
Recently, Vision Language Models (VLMs) have increasingly emphasized document visual grounding to achieve better human-computer interaction, accessibility, and detailed understanding. However, its application to visualizations such as charts remains under-explored due to the inherent complexity of interleaved visual-numerical relationships in chart images. Existing chart understanding methods primarily focus on answering questions without explicitly identifying the visual elements that support their predictions. To bridge this gap, we introduce RefChartQA, a novel benchmark that integrates Chart Question Answering (ChartQA) with visual grounding, enabling models to refer elements at multiple granularities within chart images. Furthermore, we conduct a comprehensive evaluation by instruction-tuning 5 state-of-the-art VLMs across different categories. Our experiments demonstrate that incorporating spatial awareness via grounding improves response accuracy by over 15%, reducing hallucinations, and improving model reliability. Additionally, we identify key factors influencing text-spatial alignment, such as architectural improvements in TinyChart, which leverages a token-merging module for enhanced feature fusion. Our dataset is open-sourced for community development and further advancements. All models and code will be publicly available at https://github.com/moured/RefChartQA.
comment: Accepted by ICDAR 2025. All models and code will be publicly available at https://github.com/moured/RefChartQA
♻ ☆ Rasterizing Wireless Radiance Field via Deformable 2D Gaussian Splatting
Modeling the wireless radiance field (WRF) is fundamental to modern communication systems, enabling key tasks such as localization, sensing, and channel estimation. Traditional approaches, which rely on empirical formulas or physical simulations, often suffer from limited accuracy or require strong scene priors. Recent neural radiance field (NeRF-based) methods improve reconstruction fidelity through differentiable volumetric rendering, but their reliance on computationally expensive multilayer perceptron (MLP) queries hinders real-time deployment. To overcome these challenges, we introduce Gaussian splatting (GS) to the wireless domain, leveraging its efficiency in modeling optical radiance fields to enable compact and accurate WRF reconstruction. Specifically, we propose SwiftWRF, a deformable 2D Gaussian splatting framework that synthesizes WRF spectra at arbitrary positions under single-sided transceiver mobility. SwiftWRF employs CUDA-accelerated rasterization to render spectra at over 100000 fps and uses a lightweight MLP to model the deformation of 2D Gaussians, effectively capturing mobility-induced WRF variations. In addition to novel spectrum synthesis, the efficacy of SwiftWRF is further underscored in its applications in angle-of-arrival (AoA) and received signal strength indicator (RSSI) prediction. Experiments conducted on both real-world and synthetic indoor scenes demonstrate that SwiftWRF can reconstruct WRF spectra up to 500x faster than existing state-of-the-art methods, while significantly enhancing its signal quality. The project page is https://evan-sudo.github.io/swiftwrf/.
♻ ☆ A Bird Song Detector for improving bird identification through Deep Learning: a case study from Doñana
Passive Acoustic Monitoring is a key tool for biodiversity conservation, but the large volumes of unsupervised audio it generates present major challenges for extracting meaningful information. Deep Learning offers promising solutions. BirdNET, a widely used bird identification model, has shown success in many study systems but is limited at local scale due to biases in its training data, which focus on specific locations and target sounds rather than entire soundscapes. A key challenge in bird species identification is that many recordings either lack target species or contain overlapping vocalizations, complicating automatic identification. To address these problems, we developed a multi-stage pipeline for automatic bird vocalization identification in Do\~nana National Park (SW Spain), a wetland of high conservation concern. We deployed AudioMoth recorders in three main habitats across nine locations and manually annotated 461 minutes of audio, resulting in 3749 labeled segments spanning 34 classes. We first applied a Bird Song Detector to isolate bird vocalizations using spectrogram-based image processing. Then, species were classified using custom models trained at the local scale. Applying the Bird Song Detector before classification improved species identification, as all models performed better when analyzing only the segments where birds were detected. Specifically, the combination of detector and fine-tuned BirdNET outperformed the baseline without detection. This approach demonstrates the effectiveness of integrating a Bird Song Detector with local classification models. These findings highlight the need to adapt general-purpose tools to specific ecological challenges. Automatically detecting bird species helps track the health of this threatened ecosystem, given birds sensitivity to environmental change, and supports conservation planning to reduce biodiversity loss.
comment: 23 pages, 14 images, for associated dataset see https://huggingface.co/datasets/GrunCrow/BIRDeep_AudioAnnotations , for associated code see https://github.com/GrunCrow/BIRDeep_BirdSongDetector_NeuralNetworks and https://github.com/GrunCrow/Bird-Song-Detector
♻ ☆ Incorporating Pre-training Data Matters in Unsupervised Domain Adaptation
In deep learning, initializing models with pre-trained weights has become the de facto practice for various downstream tasks. Many unsupervised domain adaptation (UDA) methods typically adopt a backbone pre-trained on ImageNet, and focus on reducing the source-target domain discrepancy. However, the impact of pre-training on adaptation received little attention. In this study, we delve into UDA from the novel perspective of pre-training. We first demonstrate the impact of pre-training by analyzing the dynamic distribution discrepancies between pre-training data domain and the source/ target domain during adaptation. Then, we reveal that the target error also stems from the pre-training in the following two factors: 1) empirically, target error arises from the gradually degenerative pre-trained knowledge during adaptation; 2) theoretically, the error bound depends on difference between the gradient of loss function, \ie, on the target domain and pre-training data domain. To address these two issues, we redefine UDA as a three-domain problem, \ie, source domain, target domain, and pre-training data domain; then we propose a novel framework, named TriDA. We maintain the pre-trained knowledge and improve the error bound by incorporating pre-training data into adaptation for both vanilla UDA and source-free UDA scenarios. For efficiency, we introduce a selection strategy for pre-training data, and offer a solution with synthesized images when pre-training data is unavailable during adaptation. Notably, TriDA is effective even with a small amount of pre-training or synthesized images, and seamlessly complements the two scenario UDA methods, demonstrating state-of-the-art performance across multiple benchmarks. We hope our work provides new insights for better understanding and application of domain adaptation.
♻ ☆ Ophora: A Large-Scale Data-Driven Text-Guided Ophthalmic Surgical Video Generation Model MICCAI25
In ophthalmic surgery, developing an AI system capable of interpreting surgical videos and predicting subsequent operations requires numerous ophthalmic surgical videos with high-quality annotations, which are difficult to collect due to privacy concerns and labor consumption. Text-guided video generation (T2V) emerges as a promising solution to overcome this issue by generating ophthalmic surgical videos based on surgeon instructions. In this paper, we present Ophora, a pioneering model that can generate ophthalmic surgical videos following natural language instructions. To construct Ophora, we first propose a Comprehensive Data Curation pipeline to convert narrative ophthalmic surgical videos into a large-scale, high-quality dataset comprising over 160K video-instruction pairs, Ophora-160K. Then, we propose a Progressive Video-Instruction Tuning scheme to transfer rich spatial-temporal knowledge from a T2V model pre-trained on natural video-text datasets for privacy-preserved ophthalmic surgical video generation based on Ophora-160K. Experiments on video quality evaluation via quantitative analysis and ophthalmologist feedback demonstrate that Ophora can generate realistic and reliable ophthalmic surgical videos based on surgeon instructions. We also validate the capability of Ophora for empowering downstream tasks of ophthalmic surgical workflow understanding. Code is available at https://github.com/mar-cry/Ophora.
comment: Early accepted in MICCAI25
♻ ☆ SFDLA: Source-Free Document Layout Analysis
Document Layout Analysis (DLA) is a fundamental task in document understanding. However, existing DLA and adaptation methods often require access to large-scale source data and target labels. This requirements severely limiting their real-world applicability, particularly in privacy-sensitive and resource-constrained domains, such as financial statements, medical records, and proprietary business documents. According to our observation, directly transferring source-domain fine-tuned models on target domains often results in a significant performance drop (Avg. -32.64%). In this work, we introduce Source-Free Document Layout Analysis (SFDLA), aiming for adapting a pre-trained source DLA models to an unlabeled target domain, without access to any source data. To address this challenge, we establish the first SFDLA benchmark, covering three major DLA datasets for geometric- and content-aware adaptation. Furthermore, we propose Document Layout Analysis Adapter (DLAdapter), a novel framework that is designed to improve source-free adaptation across document domains. Our method achieves a +4.21% improvement over the source-only baseline and a +2.26% gain over existing source-free methods from PubLayNet to DocLayNet. We believe this work will inspire the DLA community to further investigate source-free document understanding. To support future research of the community, the benchmark, models, and code will be publicly available at https://github.com/s3setewe/sfdla-DLAdapter.
comment: Accepted by ICDAR 2025. The benchmark, models, and code will be publicly available at https://github.com/s3setewe/sfdla-DLAdapter
♻ ☆ Style-Preserving Lip Sync via Audio-Aware Style Reference
Audio-driven lip sync has recently drawn significant attention due to its widespread application in the multimedia domain. Individuals exhibit distinct lip shapes when speaking the same utterance, attributed to the unique speaking styles of individuals, posing a notable challenge for audio-driven lip sync. Earlier methods for such task often bypassed the modeling of personalized speaking styles, resulting in sub-optimal lip sync conforming to the general styles. Recent lip sync techniques attempt to guide the lip sync for arbitrary audio by aggregating information from a style reference video, yet they can not preserve the speaking styles well due to their inaccuracy in style aggregation. This work proposes an innovative audio-aware style reference scheme that effectively leverages the relationships between input audio and reference audio from style reference video to address the style-preserving audio-driven lip sync. Specifically, we first develop an advanced Transformer-based model adept at predicting lip motion corresponding to the input audio, augmented by the style information aggregated through cross-attention layers from style reference video. Afterwards, to better render the lip motion into realistic talking face video, we devise a conditional latent diffusion model, integrating lip motion through modulated convolutional layers and fusing reference facial images via spatial cross-attention layers. Extensive experiments validate the efficacy of the proposed approach in achieving precise lip sync, preserving speaking styles, and generating high-fidelity, realistic talking face videos.
comment: submitted to IEEE Transactions on Multimedia(TMM)
♻ ☆ The OCR Quest for Generalization: Learning to recognize low-resource alphabets with model editing
Achieving robustness in recognition systems across diverse domains is crucial for their practical utility. While ample data availability is usually assumed, low-resource languages, such as ancient manuscripts and non-western languages, tend to be kept out of the equations of massive pretraining and foundational techniques due to an under representation. In this work, we aim for building models which can generalize to new distributions of data, such as alphabets, faster than centralized fine-tune strategies. For doing so, we take advantage of the recent advancements in model editing to enhance the incorporation of unseen scripts (low-resource learning). In contrast to state-of-the-art meta-learning, we showcase the effectiveness of domain merging in sparse distributions of data, with agnosticity of its relation to the overall distribution or any other prototyping necessity. Even when using the same exact training data, our experiments showcase significant performance boosts in \textbf{transfer learning} to new alphabets and \textbf{out-of-domain evaluation} in challenging domain shifts, including historical ciphered texts and non-Latin scripts. This research contributes a novel approach into building models that can easily adopt under-represented alphabets and, therefore, enable document recognition to a wider set of contexts and cultures.
comment: Preprint (under review) For Journal
♻ ☆ SCAM: A Real-World Typographic Robustness Evaluation for Multimodal Foundation Models CVPR 2025
Typographic attacks exploit the interplay between text and visual content in multimodal foundation models, causing misclassifications when misleading text is embedded within images. However, existing datasets are limited in size and diversity, making it difficult to study such vulnerabilities. In this paper, we introduce SCAM, the largest and most diverse dataset of real-world typographic attack images to date, containing 1,162 images across hundreds of object categories and attack words. Through extensive benchmarking of Vision-Language Models (VLMs) on SCAM, we demonstrate that typographic attacks significantly degrade performance, and identify that training data and model architecture influence the susceptibility to these attacks. Our findings reveal that typographic attacks persist in state-of-the-art Large Vision-Language Models (LVLMs) due to the choice of their vision encoder, though larger Large Language Models (LLMs) backbones help mitigate their vulnerability. Additionally, we demonstrate that synthetic attacks closely resemble real-world (handwritten) attacks, validating their use in research. Our work provides a comprehensive resource and empirical insights to facilitate future research toward robust and trustworthy multimodal AI systems. We publicly release the datasets introduced in this paper along with the code for evaluations at www.bliss.berlin/research/scam.
comment: Accepted at CVPR 2025 Workshop EVAL-FoMo-2
♻ ☆ VideoMAR: Autoregressive Video Generatio with Continuous Tokens
Masked-based autoregressive models have demonstrated promising image generation capability in continuous space. However, their potential for video generation remains under-explored. In this paper, we propose \textbf{VideoMAR}, a concise and efficient decoder-only autoregressive image-to-video model with continuous tokens, composing temporal frame-by-frame and spatial masked generation. We first identify temporal causality and spatial bi-directionality as the first principle of video AR models, and propose the next-frame diffusion loss for the integration of mask and video generation. Besides, the huge cost and difficulty of long sequence autoregressive modeling is a basic but crucial issue. To this end, we propose the temporal short-to-long curriculum learning and spatial progressive resolution training, and employ progressive temperature strategy at inference time to mitigate the accumulation error. Furthermore, VideoMAR replicates several unique capacities of language models to video generation. It inherently bears high efficiency due to simultaneous temporal-wise KV cache and spatial-wise parallel generation, and presents the capacity of spatial and temporal extrapolation via 3D rotary embeddings. On the VBench-I2V benchmark, VideoMAR surpasses the previous state-of-the-art (Cosmos I2V) while requiring significantly fewer parameters ($9.3\%$), training data ($0.5\%$), and GPU resources ($0.2\%$).
♻ ☆ Pro-AD: Learning Comprehensive Prototypes with Prototype-based Constraint for Multi-class Unsupervised Anomaly Detection
Prototype-based reconstruction methods for unsupervised anomaly detection utilize a limited set of learnable prototypes which only aggregates insufficient normal information, resulting in undesirable reconstruction. However, increasing the number of prototypes may lead to anomalies being well reconstructed through the attention mechanism, which we refer to as the "Soft Identity Mapping" problem. In this paper, we propose Pro-AD to address these issues and fully utilize the prototypes to boost the performance of anomaly detection. Specifically, we first introduce an expanded set of learnable prototypes to provide sufficient capacity for semantic information. Then we employ a Dynamic Bidirectional Decoder which integrates the process of the normal information aggregation and the target feature reconstruction via prototypes, with the aim of allowing the prototypes to aggregate more comprehensive normal semantic information from different levels of the image features and the target feature reconstruction to not only utilize its contextual information but also dynamically leverage the learned comprehensive prototypes. Additionally, to prevent the anomalies from being well reconstructed using sufficient semantic information through the attention mechanism, Pro-AD introduces a Prototype-based Constraint that applied within the target feature reconstruction process of the decoder, which further improves the performance of our approach. Extensive experiments on multiple challenging benchmarks demonstrate that our Pro-AD achieve state-of-the-art performance, highlighting its superior robustness and practical effectiveness for Multi-class Unsupervised Anomaly Detection task.
♻ ☆ DRL-Based Resource Allocation for Motion Blur Resistant Federated Self-Supervised Learning in IoV
In the Internet of Vehicles (IoV), Federated Learning (FL) provides a privacy-preserving solution by aggregating local models without sharing data. Traditional supervised learning requires image data with labels, but data labeling involves significant manual effort. Federated Self-Supervised Learning (FSSL) utilizes Self-Supervised Learning (SSL) for local training in FL, eliminating the need for labels while protecting privacy. Compared to other SSL methods, Momentum Contrast (MoCo) reduces the demand for computing resources and storage space by creating a dictionary. However, using MoCo in FSSL requires uploading the local dictionary from vehicles to Base Station (BS), which poses a risk of privacy leakage. Simplified Contrast (SimCo) addresses the privacy leakage issue in MoCo-based FSSL by using dual temperature instead of a dictionary to control sample distribution. Additionally, considering the negative impact of motion blur on model aggregation, and based on SimCo, we propose a motion blur-resistant FSSL method, referred to as BFSSL. Furthermore, we address energy consumption and delay in the BFSSL process by proposing a Deep Reinforcement Learning (DRL)-based resource allocation scheme, called DRL-BFSSL. In this scheme, BS allocates the Central Processing Unit (CPU) frequency and transmission power of vehicles to minimize energy consumption and latency, while aggregating received models based on the motion blur level. Simulation results validate the effectiveness of our proposed aggregation and resource allocation methods.
comment: This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at: https://github.com/qiongwu86/DRL-BFSSL
♻ ☆ FLARE: Towards Universal Dataset Purification against Backdoor Attacks
Deep neural networks (DNNs) are susceptible to backdoor attacks, where adversaries poison datasets with adversary-specified triggers to implant hidden backdoors, enabling malicious manipulation of model predictions. Dataset purification serves as a proactive defense by removing malicious training samples to prevent backdoor injection at its source. We first reveal that the current advanced purification methods rely on a latent assumption that the backdoor connections between triggers and target labels in backdoor attacks are simpler to learn than the benign features. We demonstrate that this assumption, however, does not always hold, especially in all-to-all (A2A) and untargeted (UT) attacks. As a result, purification methods that analyze the separation between the poisoned and benign samples in the input-output space or the final hidden layer space are less effective. We observe that this separability is not confined to a single layer but varies across different hidden layers. Motivated by this understanding, we propose FLARE, a universal purification method to counter various backdoor attacks. FLARE aggregates abnormal activations from all hidden layers to construct representations for clustering. To enhance separation, FLARE develops an adaptive subspace selection algorithm to isolate the optimal space for dividing an entire dataset into two clusters. FLARE assesses the stability of each cluster and identifies the cluster with higher stability as poisoned. Extensive evaluations on benchmark datasets demonstrate the effectiveness of FLARE against 22 representative backdoor attacks, including all-to-one (A2O), all-to-all (A2A), and untargeted (UT) attacks, and its robustness to adaptive attacks. Codes are available at \href{https://github.com/THUYimingLi/BackdoorBox}{BackdoorBox} and \href{https://github.com/vtu81/backdoor-toolbox}{backdoor-toolbox}.
comment: 15 pages, This paper is accepted and will appear in TIFS (CCF-A)
♻ ☆ EmoEdit: Evoking Emotions through Image Manipulation
Affective Image Manipulation (AIM) seeks to modify user-provided images to evoke specific emotional responses. This task is inherently complex due to its twofold objective: significantly evoking the intended emotion, while preserving the original image composition. Existing AIM methods primarily adjust color and style, often failing to elicit precise and profound emotional shifts. Drawing on psychological insights, we introduce EmoEdit, which extends AIM by incorporating content modifications to enhance emotional impact. Specifically, we first construct EmoEditSet, a large-scale AIM dataset comprising 40,120 paired data through emotion attribution and data construction. To make existing generative models emotion-aware, we design the Emotion adapter and train it using EmoEditSet. We further propose an instruction loss to capture the semantic variations in data pairs. Our method is evaluated both qualitatively and quantitatively, demonstrating superior performance compared to existing state-of-the-art techniques. Additionally, we showcase the portability of our Emotion adapter to other diffusion-based models, enhancing their emotion knowledge with diverse semantics.
♻ ☆ PanopticNeRF-360: Panoramic 3D-to-2D Label Transfer in Urban Scenes
Training perception systems for self-driving cars requires substantial 2D annotations that are labor-intensive to manual label. While existing datasets provide rich annotations on pre-recorded sequences, they fall short in labeling rarely encountered viewpoints, potentially hampering the generalization ability for perception models. In this paper, we present PanopticNeRF-360, a novel approach that combines coarse 3D annotations with noisy 2D semantic cues to generate high-quality panoptic labels and images from any viewpoint. Our key insight lies in exploiting the complementarity of 3D and 2D priors to mutually enhance geometry and semantics. Specifically, we propose to leverage coarse 3D bounding primitives and noisy 2D semantic and instance predictions to guide geometry optimization, by encouraging predicted labels to match panoptic pseudo ground truth. Simultaneously, the improved geometry assists in filtering 3D&2D annotation noise by fusing semantics in 3D space via a learned semantic field. To further enhance appearance, we combine MLP and hash grids to yield hybrid scene features, striking a balance between high-frequency appearance and contiguous semantics. Our experiments demonstrate PanopticNeRF-360's state-of-the-art performance over label transfer methods on the challenging urban scenes of the KITTI-360 dataset. Moreover, PanopticNeRF-360 enables omnidirectional rendering of high-fidelity, multi-view and spatiotemporally consistent appearance, semantic and instance labels. We make our code and data available at https://github.com/fuxiao0719/PanopticNeRF
comment: TPAMI 2025. Project page: http://fuxiao0719.github.io/projects/panopticnerf360/ Code: https://github.com/fuxiao0719/PanopticNeRF/tree/panopticnerf360
♻ ☆ Improving LLM Video Understanding with 16 Frames Per Second
Human vision is dynamic and continuous. However, in video understanding with multimodal large language models (LLMs), existing methods primarily rely on static features extracted from images sampled at a fixed low frame rate of frame-per-second (FPS) $\leqslant$2, leading to critical visual information loss. In this paper, we introduce F-16, the first multimodal LLM designed for high-frame-rate video understanding. By increasing the frame rate to 16 FPS and compressing visual tokens within each 1-second clip, F-16 efficiently captures dynamic visual features while preserving key semantic information. Experimental results demonstrate that higher frame rates considerably enhance video understanding across multiple benchmarks, providing a new approach to improving video LLMs beyond scaling model size or training data. F-16 achieves state-of-the-art performance among 7-billion-parameter video LLMs on both general and fine-grained video understanding benchmarks, such as Video-MME and TemporalBench. Furthermore, F-16 excels in complex spatiotemporal tasks, including high-speed sports analysis (\textit{e.g.}, basketball, football, gymnastics, and diving), outperforming SOTA proprietary visual models like GPT-4o and Gemini-1.5-pro. Additionally, we introduce a novel decoding method for F-16 that enables highly efficient low-frame-rate inference without requiring model retraining. We will release the source code, model checkpoints, and data at \href{https://github.com/bytedance/F-16}{https://github.com/bytedance/F-16}.
♻ ☆ PRO: Projection Domain Synthesis for CT Imaging
Synthesizing high quality CT projection data remains a significant challenge due to the limited availability of annotated data and the complex nature of CT imaging. In this work, we present PRO, a projection domain synthesis foundation model for CT imaging. To the best of our knowledge, this is the first study that performs CT synthesis in the projection domain. Unlike previous approaches that operate in the image domain, PRO learns rich structural representations from raw projection data and leverages anatomical text prompts for controllable synthesis. This projection domain strategy enables more faithful modeling of underlying imaging physics and anatomical structures. Moreover, PRO functions as a foundation model, capable of generalizing across diverse downstream tasks by adjusting its generative behavior via prompt inputs. Experimental results demonstrated that incorporating our synthesized data significantly improves performance across multiple downstream tasks, including low-dose and sparse-view reconstruction. These findings underscore the versatility and scalability of PRO in data generation for various CT applications. These results highlight the potential of projection domain synthesis as a powerful tool for data augmentation and robust CT imaging. Our source code is publicly available at: https://github.com/yqx7150/PRO.
♻ ☆ Jailbreak Large Vision-Language Models Through Multi-Modal Linkage
With the significant advancement of Large Vision-Language Models (VLMs), concerns about their potential misuse and abuse have grown rapidly. Previous studies have highlighted VLMs' vulnerability to jailbreak attacks, where carefully crafted inputs can lead the model to produce content that violates ethical and legal standards. However, existing methods struggle against state-of-the-art VLMs like GPT-4o, due to the over-exposure of harmful content and lack of stealthy malicious guidance. In this work, we propose a novel jailbreak attack framework: Multi-Modal Linkage (MML) Attack. Drawing inspiration from cryptography, MML utilizes an encryption-decryption process across text and image modalities to mitigate over-exposure of malicious information. To align the model's output with malicious intent covertly, MML employs a technique called "evil alignment", framing the attack within a video game production scenario. Comprehensive experiments demonstrate MML's effectiveness. Specifically, MML jailbreaks GPT-4o with attack success rates of 97.80% on SafeBench, 98.81% on MM-SafeBench and 99.07% on HADES-Dataset. Our code is available at https://github.com/wangyu-ovo/MML.
♻ ☆ ImmerseGen: Agent-Guided Immersive World Generation with Alpha-Textured Proxies
Automatic creation of 3D scenes for immersive VR presence has been a significant research focus for decades. However, existing methods often rely on either high-poly mesh modeling with post-hoc simplification or massive 3D Gaussians, resulting in a complex pipeline or limited visual realism. In this paper, we demonstrate that such exhaustive modeling is unnecessary for achieving compelling immersive experience. We introduce ImmerseGen, a novel agent-guided framework for compact and photorealistic world modeling. ImmerseGen represents scenes as hierarchical compositions of lightweight geometric proxies, i.e., simplified terrain and billboard meshes, and generates photorealistic appearance by synthesizing RGBA textures onto these proxies. Specifically, we propose terrain-conditioned texturing for user-centric base world synthesis, and RGBA asset texturing for midground and foreground scenery. This reformulation offers several advantages: (i) it simplifies modeling by enabling agents to guide generative models in producing coherent textures that integrate seamlessly with the scene; (ii) it bypasses complex geometry creation and decimation by directly synthesizing photorealistic textures on proxies, preserving visual quality without degradation; (iii) it enables compact representations suitable for real-time rendering on mobile VR headsets. To automate scene creation from text prompts, we introduce VLM-based modeling agents enhanced with semantic grid-based analysis for improved spatial reasoning and accurate asset placement. ImmerseGen further enriches scenes with dynamic effects and ambient audio to support multisensory immersion. Experiments on scene generation and live VR showcases demonstrate that ImmerseGen achieves superior photorealism, spatial coherence and rendering efficiency compared to prior methods. Project webpage: https://immersegen.github.io.
comment: Project webpage: https://immersegen.github.io
♻ ☆ SUEDE:Shared Unified Experts for Physical-Digital Face Attack Detection Enhancement
Face recognition systems are vulnerable to physical attacks (e.g., printed photos) and digital threats (e.g., DeepFake), which are currently being studied as independent visual tasks, such as Face Anti-Spoofing and Forgery Detection. The inherent differences among various attack types present significant challenges in identifying a common feature space, making it difficult to develop a unified framework for detecting data from both attack modalities simultaneously. Inspired by the efficacy of Mixture-of-Experts (MoE) in learning across diverse domains, we explore utilizing multiple experts to learn the distinct features of various attack types. However, the feature distributions of physical and digital attacks overlap and differ. This suggests that relying solely on distinct experts to learn the unique features of each attack type may overlook shared knowledge between them. To address these issues, we propose SUEDE, the Shared Unified Experts for Physical-Digital Face Attack Detection Enhancement. SUEDE combines a shared expert (always activated) to capture common features for both attack types and multiple routed experts (selectively activated) for specific attack types. Further, we integrate CLIP as the base network to ensure the shared expert benefits from prior visual knowledge and align visual-text representations in a unified space. Extensive results demonstrate SUEDE achieves superior performance compared to state-of-the-art unified detection methods.
comment: Accepted in ICME 2025 (Oral)
♻ ☆ MOS: Model Surgery for Pre-Trained Model-Based Class-Incremental Learning AAAI 2025
Class-Incremental Learning (CIL) requires models to continually acquire knowledge of new classes without forgetting old ones. Despite Pre-trained Models (PTMs) have shown excellent performance in CIL, catastrophic forgetting still occurs as the model learns new concepts. Existing work seeks to utilize lightweight components to adjust the PTM, while the forgetting phenomenon still comes from {\em parameter and retrieval} levels. Specifically, iterative updates of the model result in parameter drift, while mistakenly retrieving irrelevant modules leads to the mismatch during inference. To this end, we propose MOdel Surgery (MOS) to rescue the model from forgetting previous knowledge. By training task-specific adapters, we continually adjust the PTM to downstream tasks. To mitigate parameter-level forgetting, we present an adapter merging approach to learn task-specific adapters, which aims to bridge the gap between different components while reserve task-specific information. Besides, to address retrieval-level forgetting, we introduce a training-free self-refined adapter retrieval mechanism during inference, which leverages the model's inherent ability for better adapter retrieval. By jointly rectifying the model with those steps, MOS can robustly resist catastrophic forgetting in the learning process. Extensive experiments on seven benchmark datasets validate MOS's state-of-the-art performance. Code is available at: https://github.com/sun-hailong/AAAI25-MOS
comment: Accepted to AAAI 2025. Code is available at: https://github.com/sun-hailong/AAAI25-MOS
♻ ☆ A Curated and Re-annotated Peripheral Blood Cell Dataset Integrating Four Public Resources
We present TXL-PBC, a curated and re-annotated peripheral blood cell dataset constructed by integrating four publicly available resources: Blood Cell Count and Detection (BCCD), Blood Cell Detection Dataset (BCDD), Peripheral Blood Cells (PBC), and Raabin White Blood Cell (Raabin-WBC). Through rigorous sample selection, semi-automatic annotation using the YOLOv8n model, and comprehensive manual review, we ensured high annotation accuracy and consistency. The final dataset contains 1,260 images and 18,143 bounding box annotations for three major blood cell types: white blood cells (WBC), red blood cells (RBC), and platelets. We provide detailed visual analyses of the data distribution, demonstrating the diversity and balance of the dataset. To further validate the quality and utility of TXL-PBC, we trained several mainstream object detection models, including YOLOv5s, YOLOv8s, YOLOv11s, SSD300, Faster R-CNN, and RetinaNet, and report their baseline performance. The TXL-PBC dataset is openly available on Figshare and GitHub, offering a valuable resource for the development and benchmarking of blood cell detection models and related machine learning research.
♻ ☆ Data Augmentation Through Random Style Replacement
In this paper, we introduce a novel data augmentation technique that combines the advantages of style augmentation and random erasing by selectively replacing image subregions with style-transferred patches. Our approach first applies a random style transfer to training images, then randomly substitutes selected areas of these images with patches derived from the style-transferred versions. This method is able to seamlessly accommodate a wide range of existing style transfer algorithms and can be readily integrated into diverse data augmentation pipelines. By incorporating our strategy, the training process becomes more robust and less prone to overfitting. Comparative experiments demonstrate that, relative to previous style augmentation methods, our technique achieves superior performance and faster convergence.
comment: Accepted by 2025 6th International Conference on Computer Vision, Image and Deep Learning
♻ ☆ SurgSora: Object-Aware Diffusion Model for Controllable Surgical Video Generation
Surgical video generation can enhance medical education and research, but existing methods lack fine-grained motion control and realism. We introduce SurgSora, a framework that generates high-fidelity, motion-controllable surgical videos from a single input frame and user-specified motion cues. Unlike prior approaches that treat objects indiscriminately or rely on ground-truth segmentation masks, SurgSora leverages self-predicted object features and depth information to refine RGB appearance and optical flow for precise video synthesis. It consists of three key modules: (1) the Dual Semantic Injector, which extracts object-specific RGB-D features and segmentation cues to enhance spatial representations; (2) the Decoupled Flow Mapper, which fuses multi-scale optical flow with semantic features for realistic motion dynamics; and (3) the Trajectory Controller, which estimates sparse optical flow and enables user-guided object movement. By conditioning these enriched features within the Stable Video Diffusion, SurgSora achieves state-of-the-art visual authenticity and controllability in advancing surgical video synthesis, as demonstrated by extensive quantitative and qualitative comparisons. Our human evaluation in collaboration with expert surgeons further demonstrates the high realism of SurgSora-generated videos, highlighting the potential of our method for surgical training and education. Our project is available at https://surgsora.github.io/surgsora.github.io.
♻ ☆ Representation Alignment for Generation: Training Diffusion Transformers Is Easier Than You Think ICLR 2025
Recent studies have shown that the denoising process in (generative) diffusion models can induce meaningful (discriminative) representations inside the model, though the quality of these representations still lags behind those learned through recent self-supervised learning methods. We argue that one main bottleneck in training large-scale diffusion models for generation lies in effectively learning these representations. Moreover, training can be made easier by incorporating high-quality external visual representations, rather than relying solely on the diffusion models to learn them independently. We study this by introducing a straightforward regularization called REPresentation Alignment (REPA), which aligns the projections of noisy input hidden states in denoising networks with clean image representations obtained from external, pretrained visual encoders. The results are striking: our simple strategy yields significant improvements in both training efficiency and generation quality when applied to popular diffusion and flow-based transformers, such as DiTs and SiTs. For instance, our method can speed up SiT training by over 17.5$\times$, matching the performance (without classifier-free guidance) of a SiT-XL model trained for 7M steps in less than 400K steps. In terms of final generation quality, our approach achieves state-of-the-art results of FID=1.42 using classifier-free guidance with the guidance interval.
comment: ICLR 2025 (Oral). Project page: https://sihyun.me/REPA
♻ ☆ Generative diffusion model surrogates for mechanistic agent-based biological models
Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and interrogating these models. CPMs become computationally expensive at large space- and time- scales making application and investigation of developed models difficult. Surrogate models may allow for the accelerated evaluation of CPMs of complex biological systems. However, the stochastic nature of these models means each set of parameters may give rise to different model configurations, complicating surrogate model development. In this work, we leverage denoising diffusion probabilistic models to train a generative AI surrogate of a CPM used to investigate in vitro vasculogenesis. We describe the use of an image classifier to learn the characteristics that define unique areas of a 2-dimensional parameter space. We then apply this classifier to aid in surrogate model selection and verification. Our CPM model surrogate generates model configurations 20,000 timesteps ahead of a reference configuration and demonstrates approximately a 22x reduction in computational time as compared to native code execution. Our work represents a step towards the implementation of DDPMs to develop digital twins of stochastic biological systems.
♻ ☆ MSVIT: Improving Spiking Vision Transformer Using Multi-scale Attention Fusion IJCAI'25
The combination of Spiking Neural Networks (SNNs) with Vision Transformer architectures has garnered significant attention due to their potential for energy-efficient and high-performance computing paradigms. However, a substantial performance gap still exists between SNN-based and ANN-based transformer architectures. While existing methods propose spiking self-attention mechanisms that are successfully combined with SNNs, the overall architectures proposed by these methods suffer from a bottleneck in effectively extracting features from different image scales. In this paper, we address this issue and propose MSVIT. This novel spike-driven Transformer architecture firstly uses multi-scale spiking attention (MSSA) to enhance the capabilities of spiking attention blocks. We validate our approach across various main datasets. The experimental results show that MSVIT outperforms existing SNN-based models, positioning itself as a state-of-the-art solution among SNN-transformer architectures. The codes are available at https://github.com/Nanhu-AI-Lab/MSViT.
comment: 11pages, 2figures, accepted by IJCAI'25 (34th International Joint Conference on Artificial Intelligence)
Machine Learning 187
☆ Nabla-R2D3: Effective and Efficient 3D Diffusion Alignment with 2D Rewards
Generating high-quality and photorealistic 3D assets remains a longstanding challenge in 3D vision and computer graphics. Although state-of-the-art generative models, such as diffusion models, have made significant progress in 3D generation, they often fall short of human-designed content due to limited ability to follow instructions, align with human preferences, or produce realistic textures, geometries, and physical attributes. In this paper, we introduce Nabla-R2D3, a highly effective and sample-efficient reinforcement learning alignment framework for 3D-native diffusion models using 2D rewards. Built upon the recently proposed Nabla-GFlowNet method, which matches the score function to reward gradients in a principled manner for reward finetuning, our Nabla-R2D3 enables effective adaptation of 3D diffusion models using only 2D reward signals. Extensive experiments show that, unlike vanilla finetuning baselines which either struggle to converge or suffer from reward hacking, Nabla-R2D3 consistently achieves higher rewards and reduced prior forgetting within a few finetuning steps.
comment: Technical Report (21 pages, 21 figures)
☆ Particle-Grid Neural Dynamics for Learning Deformable Object Models from RGB-D Videos
Modeling the dynamics of deformable objects is challenging due to their diverse physical properties and the difficulty of estimating states from limited visual information. We address these challenges with a neural dynamics framework that combines object particles and spatial grids in a hybrid representation. Our particle-grid model captures global shape and motion information while predicting dense particle movements, enabling the modeling of objects with varied shapes and materials. Particles represent object shapes, while the spatial grid discretizes the 3D space to ensure spatial continuity and enhance learning efficiency. Coupled with Gaussian Splattings for visual rendering, our framework achieves a fully learning-based digital twin of deformable objects and generates 3D action-conditioned videos. Through experiments, we demonstrate that our model learns the dynamics of diverse objects -- such as ropes, cloths, stuffed animals, and paper bags -- from sparse-view RGB-D recordings of robot-object interactions, while also generalizing at the category level to unseen instances. Our approach outperforms state-of-the-art learning-based and physics-based simulators, particularly in scenarios with limited camera views. Furthermore, we showcase the utility of our learned models in model-based planning, enabling goal-conditioned object manipulation across a range of tasks. The project page is available at https://kywind.github.io/pgnd .
comment: Project page: https://kywind.github.io/pgnd
☆ Dense SAE Latents Are Features, Not Bugs
Sparse autoencoders (SAEs) are designed to extract interpretable features from language models by enforcing a sparsity constraint. Ideally, training an SAE would yield latents that are both sparse and semantically meaningful. However, many SAE latents activate frequently (i.e., are \emph{dense}), raising concerns that they may be undesirable artifacts of the training procedure. In this work, we systematically investigate the geometry, function, and origin of dense latents and show that they are not only persistent but often reflect meaningful model representations. We first demonstrate that dense latents tend to form antipodal pairs that reconstruct specific directions in the residual stream, and that ablating their subspace suppresses the emergence of new dense features in retrained SAEs -- suggesting that high density features are an intrinsic property of the residual space. We then introduce a taxonomy of dense latents, identifying classes tied to position tracking, context binding, entropy regulation, letter-specific output signals, part-of-speech, and principal component reconstruction. Finally, we analyze how these features evolve across layers, revealing a shift from structural features in early layers, to semantic features in mid layers, and finally to output-oriented signals in the last layers of the model. Our findings indicate that dense latents serve functional roles in language model computation and should not be dismissed as training noise.
☆ A Data-Integrated Framework for Learning Fractional-Order Nonlinear Dynamical Systems
This paper presents a data-integrated framework for learning the dynamics of fractional-order nonlinear systems in both discrete-time and continuous-time settings. The proposed framework consists of two main steps. In the first step, input-output experiments are designed to generate the necessary datasets for learning the system dynamics, including the fractional order, the drift vector field, and the control vector field. In the second step, these datasets, along with the memory-dependent property of fractional-order systems, are used to estimate the system's fractional order. The drift and control vector fields are then reconstructed using orthonormal basis functions. To validate the proposed approach, the algorithm is applied to four benchmark fractional-order systems. The results confirm the effectiveness of the proposed framework in learning the system dynamics accurately. Finally, the same datasets are used to learn equivalent integer-order models. The numerical comparisons demonstrate that fractional-order models better capture long-range dependencies, highlighting the limitations of integer-order representations.
☆ On the Upper Bounds for the Matrix Spectral Norm
We consider the problem of estimating the spectral norm of a matrix using only matrix-vector products. We propose a new Counterbalance estimator that provides upper bounds on the norm and derive probabilistic guarantees on its underestimation. Compared to standard approaches such as the power method, the proposed estimator produces significantly tighter upper bounds in both synthetic and real-world settings. Our method is especially effective for matrices with fast-decaying spectra, such as those arising in deep learning and inverse problems.
☆ CAWR: Corruption-Averse Advantage-Weighted Regression for Robust Policy Optimization
Offline reinforcement learning (offline RL) algorithms often require additional constraints or penalty terms to address distribution shift issues, such as adding implicit or explicit policy constraints during policy optimization to reduce the estimation bias of functions. This paper focuses on a limitation of the Advantage-Weighted Regression family (AWRs), i.e., the potential for learning over-conservative policies due to data corruption, specifically the poor explorations in suboptimal offline data. We study it from two perspectives: (1) how poor explorations impact the theoretically optimal policy based on KL divergence, and (2) how such poor explorations affect the approximation of the theoretically optimal policy. We prove that such over-conservatism is mainly caused by the sensitivity of the loss function for policy optimization to poor explorations, and the proportion of poor explorations in offline datasets. To address this concern, we propose Corruption-Averse Advantage-Weighted Regression (CAWR), which incorporates a set of robust loss functions during policy optimization and an advantage-based prioritized experience replay method to filter out poor explorations. Numerical experiments on the D4RL benchmark show that our method can learn superior policies from suboptimal offline data, significantly enhancing the performance of policy optimization.
comment: 23 pages, 14 figures
☆ AutoRule: Reasoning Chain-of-thought Extracted Rule-based Rewards Improve Preference Learning
Rule-based rewards offer a promising strategy for improving reinforcement learning from human feedback (RLHF), but current approaches often rely on manual rule engineering. We present AutoRule, a fully automated method for extracting rules from preference feedback and formulating them into rule-based rewards. AutoRule extraction operates in three stages: it leverages a reasoning model to interpret user preferences, identifies candidate rules from the reasoning chain of these interpretations, and synthesizes them into a unified rule set. Leveraging the finalized rule set, we employ language-model verifiers to compute the fraction of rules satisfied by each output, using this metric as an auxiliary reward alongside the learned reward model during policy optimization. Training a Llama-3-8B model with AutoRule results in a 28.6\% relative improvement in length-controlled win rate on AlpacaEval2.0, and a 6.1\% relative gain in second-turn performance on a held-out MT-Bench subset, compared to a GRPO baseline trained with the same learned reward model but without the rule-based auxiliary reward. Our analysis confirms that the extracted rules exhibit good agreement with dataset preference. We find that AutoRule demonstrates reduced reward hacking compared to a learned reward model when run over two episodes. Finally, our case study suggests that the extracted rules capture unique qualities valued in different datasets. The extracted rules are provided in the appendix, and the code is open-sourced at https://github.com/cxcscmu/AutoRule.
☆ Dual-Stage Value-Guided Inference with Margin-Based Reward Adjustment for Fast and Faithful VLM Captioning
Despite significant advances in inference-time search for vision-language models (VLMs), existing approaches remain both computationally expensive and prone to unpenalized, low-confidence generations which often lead to persistent hallucinations. We introduce \textbf{Value-guided Inference with Margin-based Reward (ViMaR)}, a two-stage inference framework that improves both efficiency and output fidelity by combining a temporal-difference value model with a margin-aware reward adjustment. In the first stage, we perform a single pass to identify the highest-value caption among diverse candidates. In the second stage, we selectively refine only those segments that were overlooked or exhibit weak visual grounding, thereby eliminating frequently rewarded evaluations. A calibrated margin-based penalty discourages low-confidence continuations while preserving descriptive richness. Extensive experiments across multiple VLM architectures demonstrate that ViMaR generates captions that are significantly more reliable, factually accurate, detailed, and explanatory, while achieving over 4$\times$ speedup compared to existing value-guided methods. Specifically, we show that ViMaR trained solely on LLaVA Mistral-7B, \textit{generalizes effectively to guide decoding in a stronger unseen model}. To further validate this, we adapt the ViMaR to steer generation in LLaVA-OneVision-Qwen2-7B, leading to consistent improvements in caption quality and demonstrating robust cross-model guidance. This cross-model generalization highlights ViMaR's flexibility and modularity, positioning it as a scalable and transferable inference-time decoding strategy. Furthermore, when ViMaR-generated captions are used for self-training, the underlying models achieve substantial gains across a broad suite of visual comprehension benchmarks, underscoring the potential of fast, accurate, and self-improving VLM pipelines.
☆ deepSURF: Detecting Memory Safety Vulnerabilities in Rust Through Fuzzing LLM-Augmented Harnesses
Although Rust ensures memory safety by default, it also permits the use of unsafe code, which can introduce memory safety vulnerabilities if misused. Unfortunately, existing tools for detecting memory bugs in Rust typically exhibit limited detection capabilities, inadequately handle Rust-specific types, or rely heavily on manual intervention. To address these limitations, we present deepSURF, a tool that integrates static analysis with Large Language Model (LLM)-guided fuzzing harness generation to effectively identify memory safety vulnerabilities in Rust libraries, specifically targeting unsafe code. deepSURF introduces a novel approach for handling generics by substituting them with custom types and generating tailored implementations for the required traits, enabling the fuzzer to simulate user-defined behaviors within the fuzzed library. Additionally, deepSURF employs LLMs to augment fuzzing harnesses dynamically, facilitating exploration of complex API interactions and significantly increasing the likelihood of exposing memory safety vulnerabilities. We evaluated deepSURF on 27 real-world Rust crates, successfully rediscovering 20 known memory safety bugs and uncovering 6 previously unknown vulnerabilities, demonstrating clear improvements over state-of-the-art tools.
☆ Revisiting Randomization in Greedy Model Search
Combining randomized estimators in an ensemble, such as via random forests, has become a fundamental technique in modern data science, but can be computationally expensive. Furthermore, the mechanism by which this improves predictive performance is poorly understood. We address these issues in the context of sparse linear regression by proposing and analyzing an ensemble of greedy forward selection estimators that are randomized by feature subsampling -- at each iteration, the best feature is selected from within a random subset. We design a novel implementation based on dynamic programming that greatly improves its computational efficiency. Furthermore, we show via careful numerical experiments that our method can outperform popular methods such as lasso and elastic net across a wide range of settings. Next, contrary to prevailing belief that randomized ensembling is analogous to shrinkage, we show via numerical experiments that it can simultaneously reduce training error and degrees of freedom, thereby shifting the entire bias-variance trade-off curve of the base estimator. We prove this fact rigorously in the setting of orthogonal features, in which case, the ensemble estimator rescales the ordinary least squares coefficients with a two-parameter family of logistic weights, thereby enlarging the model search space. These results enhance our understanding of random forests and suggest that implicit regularization in general may have more complicated effects than explicit regularization.
☆ Federated Learning for MRI-based BrainAGE: a multicenter study on post-stroke functional outcome prediction
$\textbf{Objective:}$ Brain-predicted age difference (BrainAGE) is a neuroimaging biomarker reflecting brain health. However, training robust BrainAGE models requires large datasets, often restricted by privacy concerns. This study evaluates the performance of federated learning (FL) for BrainAGE estimation in ischemic stroke patients treated with mechanical thrombectomy, and investigates its association with clinical phenotypes and functional outcomes. $\textbf{Methods:}$ We used FLAIR brain images from 1674 stroke patients across 16 hospital centers. We implemented standard machine learning and deep learning models for BrainAGE estimates under three data management strategies: centralized learning (pooled data), FL (local training at each site), and single-site learning. We reported prediction errors and examined associations between BrainAGE and vascular risk factors (e.g., diabetes mellitus, hypertension, smoking), as well as functional outcomes at three months post-stroke. Logistic regression evaluated BrainAGE's predictive value for these outcomes, adjusting for age, sex, vascular risk factors, stroke severity, time between MRI and arterial puncture, prior intravenous thrombolysis, and recanalisation outcome. $\textbf{Results:}$ While centralized learning yielded the most accurate predictions, FL consistently outperformed single-site models. BrainAGE was significantly higher in patients with diabetes mellitus across all models. Comparisons between patients with good and poor functional outcomes, and multivariate predictions of these outcomes showed the significance of the association between BrainAGE and post-stroke recovery. $\textbf{Conclusion:}$ FL enables accurate age predictions without data centralization. The strong association between BrainAGE, vascular risk factors, and post-stroke recovery highlights its potential for prognostic modeling in stroke care.
☆ GFLC: Graph-based Fairness-aware Label Correction for Fair Classification
Fairness in machine learning (ML) has a critical importance for building trustworthy machine learning system as artificial intelligence (AI) systems increasingly impact various aspects of society, including healthcare decisions and legal judgments. Moreover, numerous studies demonstrate evidence of unfair outcomes in ML and the need for more robust fairness-aware methods. However, the data we use to train and develop debiasing techniques often contains biased and noisy labels. As a result, the label bias in the training data affects model performance and misrepresents the fairness of classifiers during testing. To tackle this problem, our paper presents Graph-based Fairness-aware Label Correction (GFLC), an efficient method for correcting label noise while preserving demographic parity in datasets. In particular, our approach combines three key components: prediction confidence measure, graph-based regularization through Ricci-flow-optimized graph Laplacians, and explicit demographic parity incentives. Our experimental findings show the effectiveness of our proposed approach and show significant improvements in the trade-off between performance and fairness metrics compared to the baseline.
comment: 25 pages, 6 figures
☆ The Compositional Architecture of Regret in Large Language Models
Regret in Large Language Models refers to their explicit regret expression when presented with evidence contradicting their previously generated misinformation. Studying the regret mechanism is crucial for enhancing model reliability and helps in revealing how cognition is coded in neural networks. To understand this mechanism, we need to first identify regret expressions in model outputs, then analyze their internal representation. This analysis requires examining the model's hidden states, where information processing occurs at the neuron level. However, this faces three key challenges: (1) the absence of specialized datasets capturing regret expressions, (2) the lack of metrics to find the optimal regret representation layer, and (3) the lack of metrics for identifying and analyzing regret neurons. Addressing these limitations, we propose: (1) a workflow for constructing a comprehensive regret dataset through strategically designed prompting scenarios, (2) the Supervised Compression-Decoupling Index (S-CDI) metric to identify optimal regret representation layers, and (3) the Regret Dominance Score (RDS) metric to identify regret neurons and the Group Impact Coefficient (GIC) to analyze activation patterns. Our experimental results successfully identified the optimal regret representation layer using the S-CDI metric, which significantly enhanced performance in probe classification experiments. Additionally, we discovered an M-shaped decoupling pattern across model layers, revealing how information processing alternates between coupling and decoupling phases. Through the RDS metric, we categorized neurons into three distinct functional groups: regret neurons, non-regret neurons, and dual neurons.
comment: 23 pages
☆ LoX: Low-Rank Extrapolation Robustifies LLM Safety Against Fine-tuning
Large Language Models (LLMs) have become indispensable in real-world applications. However, their widespread adoption raises significant safety concerns, particularly in responding to socially harmful questions. Despite substantial efforts to improve model safety through alignment, aligned models can still have their safety protections undermined by subsequent fine-tuning - even when the additional training data appears benign. In this paper, we empirically demonstrate that this vulnerability stems from the sensitivity of safety-critical low-rank subspaces in LLM parameters to fine-tuning. Building on this insight, we propose a novel training-free method, termed Low-Rank Extrapolation (LoX), to enhance safety robustness by extrapolating the safety subspace of an aligned LLM. Our experimental results confirm the effectiveness of LoX, demonstrating significant improvements in robustness against both benign and malicious fine-tuning attacks while preserving the model's adaptability to new tasks. For instance, LoX leads to 11% to 54% absolute reductions in attack success rates (ASR) facing benign or malicious fine-tuning attacks. By investigating the ASR landscape of parameters, we attribute the success of LoX to that the extrapolation moves LLM parameters to a flatter zone, thereby less sensitive to perturbations. The code is available at github.com/VITA-Group/LoX.
☆ WikiMixQA: A Multimodal Benchmark for Question Answering over Tables and Charts ACL 2025
Documents are fundamental to preserving and disseminating information, often incorporating complex layouts, tables, and charts that pose significant challenges for automatic document understanding (DU). While vision-language large models (VLLMs) have demonstrated improvements across various tasks, their effectiveness in processing long-context vision inputs remains unclear. This paper introduces WikiMixQA, a benchmark comprising 1,000 multiple-choice questions (MCQs) designed to evaluate cross-modal reasoning over tables and charts extracted from 4,000 Wikipedia pages spanning seven distinct topics. Unlike existing benchmarks, WikiMixQA emphasizes complex reasoning by requiring models to synthesize information from multiple modalities. We evaluate 12 state-of-the-art vision-language models, revealing that while proprietary models achieve ~70% accuracy when provided with direct context, their performance deteriorates significantly when retrieval from long documents is required. Among these, GPT-4-o is the only model exceeding 50% accuracy in this setting, whereas open-source models perform considerably worse, with a maximum accuracy of 27%. These findings underscore the challenges of long-context, multi-modal reasoning and establish WikiMixQA as a crucial benchmark for advancing document understanding research.
comment: ACL 2025 (Findings)
☆ Memory-Efficient Differentially Private Training with Gradient Random Projection
Differential privacy (DP) protects sensitive data during neural network training, but standard methods like DP-Adam suffer from high memory overhead due to per-sample gradient clipping, limiting scalability. We introduce DP-GRAPE (Gradient RAndom ProjEction), a DP training method that significantly reduces memory usage while maintaining utility on par with first-order DP approaches. Rather than directly applying DP to GaLore, DP-GRAPE introduces three key modifications: (1) gradients are privatized after projection, (2) random Gaussian matrices replace SVD-based subspaces, and (3) projection is applied during backpropagation. These contributions eliminate the need for costly SVD computations, enable substantial memory savings, and lead to improved utility. Despite operating in lower-dimensional subspaces, our theoretical analysis shows that DP-GRAPE achieves a privacy-utility trade-off comparable to DP-SGD. Our extensive empirical experiments show that DP-GRAPE can reduce the memory footprint of DP training without sacrificing accuracy or training time. In particular, DP-GRAPE reduces memory usage by over 63% when pre-training Vision Transformers and over 70% when fine-tuning RoBERTa-Large as compared to DP-Adam, while achieving similar performance. We further demonstrate that DP-GRAPE scales to fine-tuning large models such as OPT with up to 6.7 billion parameters.
☆ MicroRicci: A Greedy and Local Ricci Flow Solver for Self-Tuning Mesh Smoothing
Real-time mesh smoothing at scale remains a formidable challenge: classical Ricci-flow solvers demand costly global updates, while greedy heuristics suffer from slow convergence or brittle tuning. We present MicroRicci, the first truly self-tuning, local Ricci-flow solver that borrows ideas from coding theory and packs them into just 1K + 200 parameters. Its primary core is a greedy syndrome-decoding step that pinpoints and corrects the largest curvature error in O(E) time, augmented by two tiny neural modules that adaptively choose vertices and step sizes on the fly. On a diverse set of 110 SJTU-TMQA meshes, MicroRicci slashes iteration counts from 950+=140 to 400+=80 (2.4x speedup), tightens curvature spread from 0.19 to 0.185, and achieves a remarkable UV-distortion-to-MOS correlation of r = -0.93. It adds only 0.25 ms per iteration (0.80 to 1.05 ms), yielding an end-to-end 1.8x runtime acceleration over state-of-the-art methods. MicroRicci's combination of linear-time updates, automatic hyperparameter adaptation, and high-quality geometric and perceptual results makes it well suited for real-time, resource-limited applications in graphics, simulation, and related fields.
comment: 9 pages, 8 figures, 4 tables
☆ Managing Complex Failure Analysis Workflows with LLM-based Reasoning and Acting Agents
Failure Analysis (FA) is a highly intricate and knowledge-intensive process. The integration of AI components within the computational infrastructure of FA labs has the potential to automate a variety of tasks, including the detection of non-conformities in images, the retrieval of analogous cases from diverse data sources, and the generation of reports from annotated images. However, as the number of deployed AI models increases, the challenge lies in orchestrating these components into cohesive and efficient workflows that seamlessly integrate with the FA process. This paper investigates the design and implementation of a Large Language Model (LLM)-based Planning Agent (LPA) to assist FA engineers in solving their analysis cases. The LPA integrates LLMs with advanced planning capabilities and external tool utilization, enabling autonomous processing of complex queries, retrieval of relevant data from external systems, and generation of human-readable responses. Evaluation results demonstrate the agent's operational effectiveness and reliability in supporting FA tasks.
☆ Task-Agnostic Experts Composition for Continual Learning
Compositionality is one of the fundamental abilities of the human reasoning process, that allows to decompose a complex problem into simpler elements. Such property is crucial also for neural networks, especially when aiming for a more efficient and sustainable AI framework. We propose a compositional approach by ensembling zero-shot a set of expert models, assessing our methodology using a challenging benchmark, designed to test compositionality capabilities. We show that our Expert Composition method is able to achieve a much higher accuracy than baseline algorithms while requiring less computational resources, hence being more efficient.
☆ Towards Explainable Indoor Localization: Interpreting Neural Network Learning on Wi-Fi Fingerprints Using Logic Gates
Indoor localization using deep learning (DL) has demonstrated strong accuracy in mapping Wi-Fi RSS fingerprints to physical locations; however, most existing DL frameworks function as black-box models, offering limited insight into how predictions are made or how models respond to real-world noise over time. This lack of interpretability hampers our ability to understand the impact of temporal variations - caused by environmental dynamics - and to adapt models for long-term reliability. To address this, we introduce LogNet, a novel logic gate-based framework designed to interpret and enhance DL-based indoor localization. LogNet enables transparent reasoning by identifying which access points (APs) are most influential for each reference point (RP) and reveals how environmental noise disrupts DL-driven localization decisions. This interpretability allows us to trace and diagnose model failures and adapt DL systems for more stable long-term deployments. Evaluations across multiple real-world building floorplans and over two years of temporal variation show that LogNet not only interprets the internal behavior of DL models but also improves performance-achieving up to 1.1x to 2.8x lower localization error, 3.4x to 43.3x smaller model size, and 1.5x to 3.6x lower latency compared to prior DL-based models.
☆ DAILOC: Domain-Incremental Learning for Indoor Localization using Smartphones
Wi-Fi fingerprinting-based indoor localization faces significant challenges in real-world deployments due to domain shifts arising from device heterogeneity and temporal variations within indoor environments. Existing approaches often address these issues independently, resulting in poor generalization and susceptibility to catastrophic forgetting over time. In this work, we propose DAILOC, a novel domain-incremental learning framework that jointly addresses both temporal and device-induced domain shifts. DAILOC introduces a novel disentanglement strategy that separates domain shifts from location-relevant features using a multi-level variational autoencoder. Additionally, we introduce a novel memory-guided class latent alignment mechanism to address the effects of catastrophic forgetting over time. Experiments across multiple smartphones, buildings, and time instances demonstrate that DAILOC significantly outperforms state-of-the-art methods, achieving up to 2.74x lower average error and 4.6x lower worst-case error.
☆ Stable Gradients for Stable Learning at Scale in Deep Reinforcement Learning
Scaling deep reinforcement learning networks is challenging and often results in degraded performance, yet the root causes of this failure mode remain poorly understood. Several recent works have proposed mechanisms to address this, but they are often complex and fail to highlight the causes underlying this difficulty. In this work, we conduct a series of empirical analyses which suggest that the combination of non-stationarity with gradient pathologies, due to suboptimal architectural choices, underlie the challenges of scale. We propose a series of direct interventions that stabilize gradient flow, enabling robust performance across a range of network depths and widths. Our interventions are simple to implement and compatible with well-established algorithms, and result in an effective mechanism that enables strong performance even at large scales. We validate our findings on a variety of agents and suites of environments.
☆ Learning Algorithms in the Limit
This paper studies the problem of learning computable functions in the limit by extending Gold's inductive inference framework to incorporate \textit{computational observations} and \textit{restricted input sources}. Complimentary to the traditional Input-Output Observations, we introduce Time-Bound Observations, and Policy-Trajectory Observations to study the learnability of general recursive functions under more realistic constraints. While input-output observations do not suffice for learning the class of general recursive functions in the limit, we overcome this learning barrier by imposing computational complexity constraints or supplementing with approximate time-bound observations. Further, we build a formal framework around observations of \textit{computational agents} and show that learning computable functions from policy trajectories reduces to learning rational functions from input and output, thereby revealing interesting connections to finite-state transducer inference. On the negative side, we show that computable or polynomial-mass characteristic sets cannot exist for the class of linear-time computable functions even for policy-trajectory observations.
comment: Accepted at COLT 2025. This version matches the proceedings version
☆ Capturing Polysemanticity with PRISM: A Multi-Concept Feature Description Framework
Automated interpretability research aims to identify concepts encoded in neural network features to enhance human understanding of model behavior. Current feature description methods face two critical challenges: limited robustness and the flawed assumption that each neuron encodes only a single concept (monosemanticity), despite growing evidence that neurons are often polysemantic. This assumption restricts the expressiveness of feature descriptions and limits their ability to capture the full range of behaviors encoded in model internals. To address this, we introduce Polysemantic FeatuRe Identification and Scoring Method (PRISM), a novel framework that captures the inherent complexity of neural network features. Unlike prior approaches that assign a single description per feature, PRISM provides more nuanced descriptions for both polysemantic and monosemantic features. We apply PRISM to language models and, through extensive benchmarking against existing methods, demonstrate that our approach produces more accurate and faithful feature descriptions, improving both overall description quality (via a description score) and the ability to capture distinct concepts when polysemanticity is present (via a polysemanticity score).
☆ A Simplified Analysis of SGD for Linear Regression with Weight Averaging
Theoretically understanding stochastic gradient descent (SGD) in overparameterized models has led to the development of several optimization algorithms that are widely used in practice today. Recent work by~\citet{zou2021benign} provides sharp rates for SGD optimization in linear regression using constant learning rate, both with and without tail iterate averaging, based on a bias-variance decomposition of the risk. In our work, we provide a simplified analysis recovering the same bias and variance bounds provided in~\citep{zou2021benign} based on simple linear algebra tools, bypassing the requirement to manipulate operators on positive semi-definite (PSD) matrices. We believe our work makes the analysis of SGD on linear regression very accessible and will be helpful in further analyzing mini-batching and learning rate scheduling, leading to improvements in the training of realistic models.
☆ Diff-TONE: Timestep Optimization for iNstrument Editing in Text-to-Music Diffusion Models
Breakthroughs in text-to-music generation models are transforming the creative landscape, equipping musicians with innovative tools for composition and experimentation like never before. However, controlling the generation process to achieve a specific desired outcome remains a significant challenge. Even a minor change in the text prompt, combined with the same random seed, can drastically alter the generated piece. In this paper, we explore the application of existing text-to-music diffusion models for instrument editing. Specifically, for an existing audio track, we aim to leverage a pretrained text-to-music diffusion model to edit the instrument while preserving the underlying content. Based on the insight that the model first focuses on the overall structure or content of the audio, then adds instrument information, and finally refines the quality, we show that selecting a well-chosen intermediate timestep, identified through an instrument classifier, yields a balance between preserving the original piece's content and achieving the desired timbre. Our method does not require additional training of the text-to-music diffusion model, nor does it compromise the generation process's speed.
☆ RePCS: Diagnosing Data Memorization in LLM-Powered Retrieval-Augmented Generation
Retrieval-augmented generation (RAG) has become a common strategy for updating large language model (LLM) responses with current, external information. However, models may still rely on memorized training data, bypass the retrieved evidence, and produce contaminated outputs. We introduce Retrieval-Path Contamination Scoring (RePCS), a diagnostic method that detects such behavior without requiring model access or retraining. RePCS compares two inference paths: (i) a parametric path using only the query, and (ii) a retrieval-augmented path using both the query and retrieved context by computing the Kullback-Leibler (KL) divergence between their output distributions. A low divergence suggests that the retrieved context had minimal impact, indicating potential memorization. This procedure is model-agnostic, requires no gradient or internal state access, and adds only a single additional forward pass. We further derive PAC-style guarantees that link the KL threshold to user-defined false positive and false negative rates. On the Prompt-WNQA benchmark, RePCS achieves a ROC-AUC of 0.918. This result outperforms the strongest prior method by 6.5 percentage points while keeping latency overhead below 4.7% on an NVIDIA T4 GPU. RePCS offers a lightweight, black-box safeguard to verify whether a RAG system meaningfully leverages retrieval, making it especially valuable in safety-critical applications.
comment: 11 pages, 7 figures, 5 tables
☆ Over-squashing in Spatiotemporal Graph Neural Networks
Graph Neural Networks (GNNs) have achieved remarkable success across various domains. However, recent theoretical advances have identified fundamental limitations in their information propagation capabilities, such as over-squashing, where distant nodes fail to effectively exchange information. While extensively studied in static contexts, this issue remains unexplored in Spatiotemporal GNNs (STGNNs), which process sequences associated with graph nodes. Nonetheless, the temporal dimension amplifies this challenge by increasing the information that must be propagated. In this work, we formalize the spatiotemporal over-squashing problem and demonstrate its distinct characteristics compared to the static case. Our analysis reveals that counterintuitively, convolutional STGNNs favor information propagation from points temporally distant rather than close in time. Moreover, we prove that architectures that follow either time-and-space or time-then-space processing paradigms are equally affected by this phenomenon, providing theoretical justification for computationally efficient implementations. We validate our findings on synthetic and real-world datasets, providing deeper insights into their operational dynamics and principled guidance for more effective designs.
☆ Insights on Adversarial Attacks for Tabular Machine Learning via a Systematic Literature Review
Adversarial attacks in machine learning have been extensively reviewed in areas like computer vision and NLP, but research on tabular data remains scattered. This paper provides the first systematic literature review focused on adversarial attacks targeting tabular machine learning models. We highlight key trends, categorize attack strategies and analyze how they address practical considerations for real-world applicability. Additionally, we outline current challenges and open research questions. By offering a clear and structured overview, this review aims to guide future efforts in understanding and addressing adversarial vulnerabilities in tabular machine learning.
comment: This paper is currently under review at ACM Computing Surveys
☆ Time-dependent density estimation using binary classifiers
We propose a data-driven method to learn the time-dependent probability density of a multivariate stochastic process from sample paths, assuming that the initial probability density is known and can be evaluated. Our method uses a novel time-dependent binary classifier trained using a contrastive estimation-based objective that trains the classifier to discriminate between realizations of the stochastic process at two nearby time instants. Significantly, the proposed method explicitly models the time-dependent probability distribution, which means that it is possible to obtain the value of the probability density within the time horizon of interest. Additionally, the input before the final activation in the time-dependent classifier is a second-order approximation to the partial derivative, with respect to time, of the logarithm of the density. We apply the proposed approach to approximate the time-dependent probability density functions for systems driven by stochastic excitations. We also use the proposed approach to synthesize new samples of a random vector from a given set of its realizations. In such applications, we generate sample paths necessary for training using stochastic interpolants. Subsequently, new samples are generated using gradient-based Markov chain Monte Carlo methods because automatic differentiation can efficiently provide the necessary gradient. Further, we demonstrate the utility of an explicit approximation to the time-dependent probability density function through applications in unsupervised outlier detection. Through several numerical experiments, we show that the proposed method accurately reconstructs complex time-dependent, multi-modal, and near-degenerate densities, scales effectively to moderately high-dimensional problems, and reliably detects rare events among real-world data.
☆ Enhancing Hyperbole and Metaphor Detection with Their Bidirectional Dynamic Interaction and Emotion Knowledge ACL 2025
Text-based hyperbole and metaphor detection are of great significance for natural language processing (NLP) tasks. However, due to their semantic obscurity and expressive diversity, it is rather challenging to identify them. Existing methods mostly focus on superficial text features, ignoring the associations of hyperbole and metaphor as well as the effect of implicit emotion on perceiving these rhetorical devices. To implement these hypotheses, we propose an emotion-guided hyperbole and metaphor detection framework based on bidirectional dynamic interaction (EmoBi). Firstly, the emotion analysis module deeply mines the emotion connotations behind hyperbole and metaphor. Next, the emotion-based domain mapping module identifies the target and source domains to gain a deeper understanding of the implicit meanings of hyperbole and metaphor. Finally, the bidirectional dynamic interaction module enables the mutual promotion between hyperbole and metaphor. Meanwhile, a verification mechanism is designed to ensure detection accuracy and reliability. Experiments show that EmoBi outperforms all baseline methods on four datasets. Specifically, compared to the current SoTA, the F1 score increased by 28.1% for hyperbole detection on the TroFi dataset and 23.1% for metaphor detection on the HYPO-L dataset. These results, underpinned by in-depth analyses, underscore the effectiveness and potential of our approach for advancing hyperbole and metaphor detection.
comment: Accepted by ACL 2025
☆ Pixel-level Certified Explanations via Randomized Smoothing
Post-hoc attribution methods aim to explain deep learning predictions by highlighting influential input pixels. However, these explanations are highly non-robust: small, imperceptible input perturbations can drastically alter the attribution map while maintaining the same prediction. This vulnerability undermines their trustworthiness and calls for rigorous robustness guarantees of pixel-level attribution scores. We introduce the first certification framework that guarantees pixel-level robustness for any black-box attribution method using randomized smoothing. By sparsifying and smoothing attribution maps, we reformulate the task as a segmentation problem and certify each pixel's importance against $\ell_2$-bounded perturbations. We further propose three evaluation metrics to assess certified robustness, localization, and faithfulness. An extensive evaluation of 12 attribution methods across 5 ImageNet models shows that our certified attributions are robust, interpretable, and faithful, enabling reliable use in downstream tasks. Our code is at https://github.com/AlaaAnani/certified-attributions.
☆ SPARE: Single-Pass Annotation with Reference-Guided Evaluation for Automatic Process Supervision and Reward Modelling
Process or step-wise supervision has played a crucial role in advancing complex multi-step reasoning capabilities of Large Language Models (LLMs). However, efficient, high-quality automated process annotation remains a significant challenge. To address this, we introduce Single-Pass Annotation with Reference-Guided Evaluation (SPARE), a novel structured framework that enables single-pass, per-step annotation by aligning each solution step to one or multiple steps in a reference solution, accompanied by explicit reasoning for evaluation. We show that reference-guided step-level evaluation effectively facilitates process supervision on four datasets spanning three domains: mathematical reasoning, multi-hop compositional question answering, and spatial reasoning. We demonstrate that SPARE, when compared to baselines, improves reasoning performance when used for: (1) fine-tuning models in an offline RL setup for inference-time greedy-decoding, and (2) training reward models for ranking/aggregating multiple LLM-generated outputs. Additionally, SPARE achieves competitive performance on challenging mathematical datasets while offering 2.6 times greater efficiency, requiring only 38% of the runtime, compared to tree search-based automatic annotation. The codebase, along with a trained SPARE-PRM model, is publicly released to facilitate further research and reproducibility.
comment: 8 pages main content, 4 figures, 4 tables
☆ LIT-LVM: Structured Regularization for Interaction Terms in Linear Predictors using Latent Variable Models
Some of the simplest, yet most frequently used predictors in statistics and machine learning use weighted linear combinations of features. Such linear predictors can model non-linear relationships between features by adding interaction terms corresponding to the products of all pairs of features. We consider the problem of accurately estimating coefficients for interaction terms in linear predictors. We hypothesize that the coefficients for different interaction terms have an approximate low-dimensional structure and represent each feature by a latent vector in a low-dimensional space. This low-dimensional representation can be viewed as a structured regularization approach that further mitigates overfitting in high-dimensional settings beyond standard regularizers such as the lasso and elastic net. We demonstrate that our approach, called LIT-LVM, achieves superior prediction accuracy compared to elastic net and factorization machines on a wide variety of simulated and real data, particularly when the number of interaction terms is high compared to the number of samples. LIT-LVM also provides low-dimensional latent representations for features that are useful for visualizing and analyzing their relationships.
☆ Creating User-steerable Projections with Interactive Semantic Mapping
Dimensionality reduction (DR) techniques map high-dimensional data into lower-dimensional spaces. Yet, current DR techniques are not designed to explore semantic structure that is not directly available in the form of variables or class labels. We introduce a novel user-guided projection framework for image and text data that enables customizable, interpretable, data visualizations via zero-shot classification with Multimodal Large Language Models (MLLMs). We enable users to steer projections dynamically via natural-language guiding prompts, to specify high-level semantic relationships of interest to the users which are not explicitly present in the data dimensions. We evaluate our method across several datasets and show that it not only enhances cluster separation, but also transforms DR into an interactive, user-driven process. Our approach bridges the gap between fully automated DR techniques and human-centered data exploration, offering a flexible and adaptive way to tailor projections to specific analytical needs.
☆ Co-Creative Learning via Metropolis-Hastings Interaction between Humans and AI
We propose co-creative learning as a novel paradigm where humans and AI, i.e., biological and artificial agents, mutually integrate their partial perceptual information and knowledge to construct shared external representations, a process we interpret as symbol emergence. Unlike traditional AI teaching based on unilateral knowledge transfer, this addresses the challenge of integrating information from inherently different modalities. We empirically test this framework using a human-AI interaction model based on the Metropolis-Hastings naming game (MHNG), a decentralized Bayesian inference mechanism. In an online experiment, 69 participants played a joint attention naming game (JA-NG) with one of three computer agent types (MH-based, always-accept, or always-reject) under partial observability. Results show that human-AI pairs with an MH-based agent significantly improved categorization accuracy through interaction and achieved stronger convergence toward a shared sign system. Furthermore, human acceptance behavior aligned closely with the MH-derived acceptance probability. These findings provide the first empirical evidence for co-creative learning emerging in human-AI dyads via MHNG-based interaction. This suggests a promising path toward symbiotic AI systems that learn with humans, rather than from them, by dynamically aligning perceptual experiences, opening a new venue for symbiotic AI alignment.
☆ Spectral Contraction of Boundary-Weighted Filters on delta-Hyperbolic Graphs
Hierarchical graphs often exhibit tree-like branching patterns, a structural property that challenges the design of traditional graph filters. We introduce a boundary-weighted operator that rescales each edge according to how far its endpoints drift toward the graph's Gromov boundary. Using Busemann functions on delta-hyperbolic networks, we prove a closed-form upper bound on the operator's spectral norm: every signal loses a curvature-controlled fraction of its energy at each pass. The result delivers a parameter-free, lightweight filter whose stability follows directly from geometric first principles, offering a new analytic tool for graph signal processing on data with dense or hidden hierarchical structure.
comment: 5 pages, 5 figures
☆ All is Not Lost: LLM Recovery without Checkpoints
Training LLMs on decentralized and wimpy computation nodes, e.g., multiple on-spot instances, lowers the training cost and enables model democratization. The inevitable challenge here is the churn of nodes due to failures and the operator's scheduling policies, leading to losing a stage - a part of the model. The conventional approaches to recover from failures are to either use checkpointing, where periodically a copy of the entire model is sent to an additional storage, or redundant computation. These approaches yield significant communication and/or computation overhead even in non-failure cases and scale poorly in settings with large models. In this paper, we propose, CheckFree, an efficient recovery method where a failing stage is substituted by a weighted average of the closest neighboring stages. In contrast to the state of the art, CheckFree requires no additional computation or storage. However, because of the nature of averaging neighbouring stages, it can only recover failures of intermediate stages. We further extend our method to CheckFree+ with out-of-order pipeline execution to tolerate crashes of the first and last stages. Thanks to out-of-order pipelining, behaviour of those stages is mimicked by their neighboring ones, which allows CheckFree+ to recover them by simply copying the weights from the immediate neighbour. To be able to recover the (de)embedding layers, CheckFree+ copies those layers to the neighboring stages, which requires relatively small storage overhead. We extensively evaluate our method on LLaMa models of model sizes from 124M to 1.5B with varying failure frequencies. In the case of low and medium failure rates (5-10%), CheckFree and CheckFree+ outperform both checkpointing and redundant computation in terms of convergence in wall-clock time by over 12%. Both of our proposals can be run via our code available at: https://github.com/gensyn-ai/CheckFree.
☆ Warping and Matching Subsequences Between Time Series
Comparing time series is essential in various tasks such as clustering and classification. While elastic distance measures that allow warping provide a robust quantitative comparison, a qualitative comparison on top of them is missing. Traditional visualizations focus on point-to-point alignment and do not convey the broader structural relationships at the level of subsequences. This limitation makes it difficult to understand how and where one time series shifts, speeds up or slows down with respect to another. To address this, we propose a novel technique that simplifies the warping path to highlight, quantify and visualize key transformations (shift, compression, difference in amplitude). By offering a clearer representation of how subsequences match between time series, our method enhances interpretability in time series comparison.
☆ Semi-supervised Graph Anomaly Detection via Robust Homophily Learning
Semi-supervised graph anomaly detection (GAD) utilizes a small set of labeled normal nodes to identify abnormal nodes from a large set of unlabeled nodes in a graph. Current methods in this line posit that 1) normal nodes share a similar level of homophily and 2) the labeled normal nodes can well represent the homophily patterns in the normal class. However, this assumption often does not hold well since normal nodes in a graph can exhibit diverse homophily in real-world GAD datasets. In this paper, we propose RHO, namely Robust Homophily Learning, to adaptively learn such homophily patterns. RHO consists of two novel modules, adaptive frequency response filters (AdaFreq) and graph normality alignment (GNA). AdaFreq learns a set of adaptive spectral filters that capture different frequency components of the labeled normal nodes with varying homophily in the channel-wise and cross-channel views of node attributes. GNA is introduced to enforce consistency between the channel-wise and cross-channel homophily representations to robustify the normality learned by the filters in the two views. Experiments on eight real-world GAD datasets show that RHO can effectively learn varying, often under-represented, homophily in the small normal node set and substantially outperforms state-of-the-art competing methods. Code is available at https://github.com/mala-lab/RHO.
comment: 18 pages, 11 figures, 3 tables
☆ Zero-Shot Reinforcement Learning Under Partial Observability
Recent work has shown that, under certain assumptions, zero-shot reinforcement learning (RL) methods can generalise to any unseen task in an environment after reward-free pre-training. Access to Markov states is one such assumption, yet, in many real-world applications, the Markov state is only partially observable. Here, we explore how the performance of standard zero-shot RL methods degrades when subjected to partially observability, and show that, as in single-task RL, memory-based architectures are an effective remedy. We evaluate our memory-based zero-shot RL methods in domains where the states, rewards and a change in dynamics are partially observed, and show improved performance over memory-free baselines. Our code is open-sourced via: https://enjeeneer.io/projects/bfms-with-memory/.
comment: Reinforcement Learning Conference 2025
☆ Reward Models in Deep Reinforcement Learning: A Survey IJCAI 2025
In reinforcement learning (RL), agents continually interact with the environment and use the feedback to refine their behavior. To guide policy optimization, reward models are introduced as proxies of the desired objectives, such that when the agent maximizes the accumulated reward, it also fulfills the task designer's intentions. Recently, significant attention from both academic and industrial researchers has focused on developing reward models that not only align closely with the true objectives but also facilitate policy optimization. In this survey, we provide a comprehensive review of reward modeling techniques within the deep RL literature. We begin by outlining the background and preliminaries in reward modeling. Next, we present an overview of recent reward modeling approaches, categorizing them based on the source, the mechanism, and the learning paradigm. Building on this understanding, we discuss various applications of these reward modeling techniques and review methods for evaluating reward models. Finally, we conclude by highlighting promising research directions in reward modeling. Altogether, this survey includes both established and emerging methods, filling the vacancy of a systematic review of reward models in current literature.
comment: IJCAI 2025 Survey Track (To Appear)
☆ Unifying VXAI: A Systematic Review and Framework for the Evaluation of Explainable AI
Modern AI systems frequently rely on opaque black-box models, most notably Deep Neural Networks, whose performance stems from complex architectures with millions of learned parameters. While powerful, their complexity poses a major challenge to trustworthiness, particularly due to a lack of transparency. Explainable AI (XAI) addresses this issue by providing human-understandable explanations of model behavior. However, to ensure their usefulness and trustworthiness, such explanations must be rigorously evaluated. Despite the growing number of XAI methods, the field lacks standardized evaluation protocols and consensus on appropriate metrics. To address this gap, we conduct a systematic literature review following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines and introduce a unified framework for the eValuation of XAI (VXAI). We identify 362 relevant publications and aggregate their contributions into 41 functionally similar metric groups. In addition, we propose a three-dimensional categorization scheme spanning explanation type, evaluation contextuality, and explanation quality desiderata. Our framework provides the most comprehensive and structured overview of VXAI to date. It supports systematic metric selection, promotes comparability across methods, and offers a flexible foundation for future extensions.
comment: Submitted to TMLR, under review
☆ NERO: Explainable Out-of-Distribution Detection with Neuron-level Relevance
Ensuring reliability is paramount in deep learning, particularly within the domain of medical imaging, where diagnostic decisions often hinge on model outputs. The capacity to separate out-of-distribution (OOD) samples has proven to be a valuable indicator of a model's reliability in research. In medical imaging, this is especially critical, as identifying OOD inputs can help flag potential anomalies that might otherwise go undetected. While many OOD detection methods rely on feature or logit space representations, recent works suggest these approaches may not fully capture OOD diversity. To address this, we propose a novel OOD scoring mechanism, called NERO, that leverages neuron-level relevance at the feature layer. Specifically, we cluster neuron-level relevance for each in-distribution (ID) class to form representative centroids and introduce a relevance distance metric to quantify a new sample's deviation from these centroids, enhancing OOD separability. Additionally, we refine performance by incorporating scaled relevance in the bias term and combining feature norms. Our framework also enables explainable OOD detection. We validate its effectiveness across multiple deep learning architectures on the gastrointestinal imaging benchmarks Kvasir and GastroVision, achieving improvements over state-of-the-art OOD detection methods.
☆ Learn to Vaccinate: Combining Structure Learning and Effective Vaccination for Epidemic and Outbreak Control
The Susceptible-Infected-Susceptible (SIS) model is a widely used model for the spread of information and infectious diseases, particularly non-immunizing ones, on a graph. Given a highly contagious disease, a natural question is how to best vaccinate individuals to minimize the disease's extinction time. While previous works showed that the problem of optimal vaccination is closely linked to the NP-hard Spectral Radius Minimization (SRM) problem, they assumed that the graph is known, which is often not the case in practice. In this work, we consider the problem of minimizing the extinction time of an outbreak modeled by an SIS model where the graph on which the disease spreads is unknown and only the infection states of the vertices are observed. To this end, we split the problem into two: learning the graph and determining effective vaccination strategies. We propose a novel inclusion-exclusion-based learning algorithm and, unlike previous approaches, establish its sample complexity for graph recovery. We then detail an optimal algorithm for the SRM problem and prove that its running time is polynomial in the number of vertices for graphs with bounded treewidth. This is complemented by an efficient and effective polynomial-time greedy heuristic for any graph. Finally, we present experiments on synthetic and real-world data that numerically validate our learning and vaccination algorithms.
☆ Multi-Timescale Gradient Sliding for Distributed Optimization
We propose two first-order methods for convex, non-smooth, distributed optimization problems, hereafter called Multi-Timescale Gradient Sliding (MT-GS) and its accelerated variant (AMT-GS). Our MT-GS and AMT-GS can take advantage of similarities between (local) objectives to reduce the communication rounds, are flexible so that different subsets (of agents) can communicate at different, user-picked rates, and are fully deterministic. These three desirable features are achieved through a block-decomposable primal-dual formulation, and a multi-timescale variant of the sliding method introduced in Lan et al. (2020), Lan (2016), where different dual blocks are updated at potentially different rates. To find an $\epsilon$-suboptimal solution, the complexities of our algorithms achieve optimal dependency on $\epsilon$: MT-GS needs $O(\overline{r}A/\epsilon)$ communication rounds and $O(\overline{r}/\epsilon^2)$ subgradient steps for Lipchitz objectives, and AMT-GS needs $O(\overline{r}A/\sqrt{\epsilon\mu})$ communication rounds and $O(\overline{r}/(\epsilon\mu))$ subgradient steps if the objectives are also $\mu$-strongly convex. Here, $\overline{r}$ measures the ``average rate of updates'' for dual blocks, and $A$ measures similarities between (subgradients of) local functions. In addition, the linear dependency of communication rounds on $A$ is optimal (Arjevani and Shamir 2015), thereby providing a positive answer to the open question whether such dependency is achievable for non-smooth objectives (Arjevani and Shamir 2015).
☆ Provable Maximum Entropy Manifold Exploration via Diffusion Models ICML 2025
Exploration is critical for solving real-world decision-making problems such as scientific discovery, where the objective is to generate truly novel designs rather than mimic existing data distributions. In this work, we address the challenge of leveraging the representational power of generative models for exploration without relying on explicit uncertainty quantification. We introduce a novel framework that casts exploration as entropy maximization over the approximate data manifold implicitly defined by a pre-trained diffusion model. Then, we present a novel principle for exploration based on density estimation, a problem well-known to be challenging in practice. To overcome this issue and render this method truly scalable, we leverage a fundamental connection between the entropy of the density induced by a diffusion model and its score function. Building on this, we develop an algorithm based on mirror descent that solves the exploration problem as sequential fine-tuning of a pre-trained diffusion model. We prove its convergence to the optimal exploratory diffusion model under realistic assumptions by leveraging recent understanding of mirror flows. Finally, we empirically evaluate our approach on both synthetic and high-dimensional text-to-image diffusion, demonstrating promising results.
comment: ICML 2025
☆ Global Ground Metric Learning with Applications to scRNA data
Optimal transport provides a robust framework for comparing probability distributions. Its effectiveness is significantly influenced by the choice of the underlying ground metric. Traditionally, the ground metric has either been (i) predefined, e.g., as the Euclidean distance, or (ii) learned in a supervised way, by utilizing labeled data to learn a suitable ground metric for enhanced task-specific performance. Yet, predefined metrics typically cannot account for the inherent structure and varying importance of different features in the data, and existing supervised approaches to ground metric learning often do not generalize across multiple classes or are restricted to distributions with shared supports. To address these limitations, we propose a novel approach for learning metrics for arbitrary distributions over a shared metric space. Our method provides a distance between individual points like a global metric, but requires only class labels on a distribution-level for training. The learned global ground metric enables more accurate optimal transport distances, leading to improved performance in embedding, clustering and classification tasks. We demonstrate the effectiveness and interpretability of our approach using patient-level scRNA-seq data spanning multiple diseases.
comment: This method is provided as a Python package on PyPI, see https://github.com/DaminK/ggml-ot
☆ Sampling 3D Molecular Conformers with Diffusion Transformers
Diffusion Transformers (DiTs) have demonstrated strong performance in generative modeling, particularly in image synthesis, making them a compelling choice for molecular conformer generation. However, applying DiTs to molecules introduces novel challenges, such as integrating discrete molecular graph information with continuous 3D geometry, handling Euclidean symmetries, and designing conditioning mechanisms that generalize across molecules of varying sizes and structures. We propose DiTMC, a framework that adapts DiTs to address these challenges through a modular architecture that separates the processing of 3D coordinates from conditioning on atomic connectivity. To this end, we introduce two complementary graph-based conditioning strategies that integrate seamlessly with the DiT architecture. These are combined with different attention mechanisms, including both standard non-equivariant and SO(3)-equivariant formulations, enabling flexible control over the trade-off between between accuracy and computational efficiency. Experiments on standard conformer generation benchmarks (GEOM-QM9, -DRUGS, -XL) demonstrate that DiTMC achieves state-of-the-art precision and physical validity. Our results highlight how architectural choices and symmetry priors affect sample quality and efficiency, suggesting promising directions for large-scale generative modeling of molecular structures. Code available at https://github.com/ML4MolSim/dit_mc.
☆ Performative Validity of Recourse Explanations
When applicants get rejected by an algorithmic decision system, recourse explanations provide actionable suggestions for how to change their input features to get a positive evaluation. A crucial yet overlooked phenomenon is that recourse explanations are performative: When many applicants act according to their recommendations, their collective behavior may change statistical regularities in the data and, once the model is refitted, also the decision boundary. Consequently, the recourse algorithm may render its own recommendations invalid, such that applicants who make the effort of implementing their recommendations may be rejected again when they reapply. In this work, we formally characterize the conditions under which recourse explanations remain valid under performativity. A key finding is that recourse actions may become invalid if they are influenced by or if they intervene on non-causal variables. Based on our analysis, we caution against the use of standard counterfactual explanations and causal recourse methods, and instead advocate for recourse methods that recommend actions exclusively on causal variables.
comment: 34 pages, 3 figures, 1 table, Preprint
☆ Enhancing One-run Privacy Auditing with Quantile Regression-Based Membership Inference
Differential privacy (DP) auditing aims to provide empirical lower bounds on the privacy guarantees of DP mechanisms like DP-SGD. While some existing techniques require many training runs that are prohibitively costly, recent work introduces one-run auditing approaches that effectively audit DP-SGD in white-box settings while still being computationally efficient. However, in the more practical black-box setting where gradients cannot be manipulated during training and only the last model iterate is observed, prior work shows that there is still a large gap between the empirical lower bounds and theoretical upper bounds. Consequently, in this work, we study how incorporating approaches for stronger membership inference attacks (MIA) can improve one-run auditing in the black-box setting. Evaluating on image classification models trained on CIFAR-10 with DP-SGD, we demonstrate that our proposed approach, which utilizes quantile regression for MIA, achieves tighter bounds while crucially maintaining the computational efficiency of one-run methods.
☆ Acoustic Waveform Inversion with Image-to-Image Schrödinger Bridges
Recent developments in application of deep learning models to acoustic Full Waveform Inversion (FWI) are marked by the use of diffusion models as prior distributions for Bayesian-like inference procedures. The advantage of these methods is the ability to generate high-resolution samples, which are otherwise unattainable with classical inversion methods or other deep learning-based solutions. However, the iterative and stochastic nature of sampling from diffusion models along with heuristic nature of output control remain limiting factors for their applicability. For instance, an optimal way to include the approximate velocity model into diffusion-based inversion scheme remains unclear, even though it is considered an essential part of FWI pipeline. We address the issue by employing a Schr\"odinger Bridge that interpolates between the distributions of ground truth and smoothed velocity models. To facilitate the learning of nonlinear drifts that transfer samples between distributions we extend the concept of Image-to-Image Schr\"odinger Bridge ($\text{I}^2\text{SB}$) to conditional sampling, resulting in a conditional Image-to-Image Schr\"odinger Bridge (c$\text{I}^2\text{SB}$) framework. To validate our method, we assess its effectiveness in reconstructing the reference velocity model from its smoothed approximation, coupled with the observed seismic signal of fixed shape. Our experiments demonstrate that the proposed solution outperforms our reimplementation of conditional diffusion model suggested in earlier works, while requiring only a few neural function evaluations (NFEs) to achieve sample fidelity superior to that attained with supervised learning-based approach. The supplementary code implementing the algorithms described in this paper can be found in the repository https://github.com/stankevich-mipt/seismic_inversion_via_I2SB.
comment: Submitted to "Computational Mathematics And Mathematical Physics", ISSN 1555-6662, issue 8, August 2025
☆ Knowledge Distillation Framework for Accelerating High-Accuracy Neural Network-Based Molecular Dynamics Simulations
Neural network potentials (NNPs) offer a powerful alternative to traditional force fields for molecular dynamics (MD) simulations. Accurate and stable MD simulations, crucial for evaluating material properties, require training data encompassing both low-energy stable structures and high-energy structures. Conventional knowledge distillation (KD) methods fine-tune a pre-trained NNP as a teacher model to generate training data for a student model. However, in material-specific models, this fine-tuning process increases energy barriers, making it difficult to create training data containing high-energy structures. To address this, we propose a novel KD framework that leverages a non-fine-tuned, off-the-shelf pre-trained NNP as a teacher. Its gentler energy landscape facilitates the exploration of a wider range of structures, including the high-energy structures crucial for stable MD simulations. Our framework employs a two-stage training process: first, the student NNP is trained with a dataset generated by the off-the-shelf teacher; then, it is fine-tuned with a smaller, high-accuracy density functional theory (DFT) dataset. We demonstrate the effectiveness of our framework by applying it to both organic (polyethylene glycol) and inorganic (L$_{10}$GeP$_{2}$S$_{12}$) materials, achieving comparable or superior accuracy in reproducing physical properties compared to existing methods. Importantly, our method reduces the number of expensive DFT calculations by 10x compared to existing NNP generation methods, without sacrificing accuracy.
☆ Universal Laboratory Model: prognosis of abnormal clinical outcomes based on routine tests
Clinical laboratory results are ubiquitous in any diagnosis making. Predicting abnormal values of not prescribed tests based on the results of performed tests looks intriguing, as it would be possible to make early diagnosis available to everyone. The special place is taken by the Common Blood Count (CBC) test, as it is the most widely used clinical procedure. Combining routine biochemical panels with CBC presents a set of test-value pairs that varies from patient to patient, or, in common settings, a table with missing values. Here we formulate a tabular modeling problem as a set translation problem where the source set comprises pairs of GPT-like label column embedding and its corresponding value while the target set consists of the same type embeddings only. The proposed approach can effectively deal with missing values without implicitly estimating them and bridges the world of LLM with the tabular domain. Applying this method to clinical laboratory data, we achieve an improvement up to 8% AUC for joint predictions of high uric acid, glucose, cholesterol, and low ferritin levels.
comment: 7 pages, 2 figues
☆ When and How Unlabeled Data Provably Improve In-Context Learning
Recent research shows that in-context learning (ICL) can be effective even when demonstrations have missing or incorrect labels. To shed light on this capability, we examine a canonical setting where the demonstrations are drawn according to a binary Gaussian mixture model (GMM) and a certain fraction of the demonstrations have missing labels. We provide a comprehensive theoretical study to show that: (1) The loss landscape of one-layer linear attention models recover the optimal fully-supervised estimator but completely fail to exploit unlabeled data; (2) In contrast, multilayer or looped transformers can effectively leverage unlabeled data by implicitly constructing estimators of the form $\sum_{i\ge 0} a_i (X^\top X)^iX^\top y$ with $X$ and $y$ denoting features and partially-observed labels (with missing entries set to zero). We characterize the class of polynomials that can be expressed as a function of depth and draw connections to Expectation Maximization, an iterative pseudo-labeling algorithm commonly used in semi-supervised learning. Importantly, the leading polynomial power is exponential in depth, so mild amount of depth/looping suffices. As an application of theory, we propose looping off-the-shelf tabular foundation models to enhance their semi-supervision capabilities. Extensive evaluations on real-world datasets show that our method significantly improves the semisupervised tabular learning performance over the standard single pass inference.
☆ Proximal Operators of Sorted Nonconvex Penalties
This work studies the problem of sparse signal recovery with automatic grouping of variables. To this end, we investigate sorted nonsmooth penalties as a regularization approach for generalized linear models. We focus on a family of sorted nonconvex penalties which generalizes the Sorted L1 Norm (SLOPE). These penalties are designed to promote clustering of variables due to their sorted nature, while the nonconvexity reduces the shrinkage of coefficients. Our goal is to provide efficient ways to compute their proximal operator, enabling the use of popular proximal algorithms to solve composite optimization problems with this choice of sorted penalties. We distinguish between two classes of problems: the weakly convex case where computing the proximal operator remains a convex problem, and the nonconvex case where computing the proximal operator becomes a challenging nonconvex combinatorial problem. For the weakly convex case (e.g. sorted MCP and SCAD), we explain how the Pool Adjacent Violators (PAV) algorithm can exactly compute the proximal operator. For the nonconvex case (e.g. sorted Lq with q in ]0,1[), we show that a slight modification of this algorithm turns out to be remarkably efficient to tackle the computation of the proximal operator. We also present new theoretical insights on the minimizers of the nonconvex proximal problem. We demonstrate the practical interest of using such penalties on several experiments.
☆ Active Learning-Guided Seq2Seq Variational Autoencoder for Multi-target Inhibitor Generation
Simultaneously optimizing molecules against multiple therapeutic targets remains a profound challenge in drug discovery, particularly due to sparse rewards and conflicting design constraints. We propose a structured active learning (AL) paradigm integrating a sequence-to-sequence (Seq2Seq) variational autoencoder (VAE) into iterative loops designed to balance chemical diversity, molecular quality, and multi-target affinity. Our method alternates between expanding chemically feasible regions of latent space and progressively constraining molecules based on increasingly stringent multi-target docking thresholds. In a proof-of-concept study targeting three related coronavirus main proteases (SARS-CoV-2, SARS-CoV, MERS-CoV), our approach efficiently generated a structurally diverse set of pan-inhibitor candidates. We demonstrate that careful timing and strategic placement of chemical filters within this active learning pipeline markedly enhance exploration of beneficial chemical space, transforming the sparse-reward, multi-objective drug design problem into an accessible computational task. Our framework thus provides a generalizable roadmap for efficiently navigating complex polypharmacological landscapes.
comment: 16 pages, 7 figures
☆ SecFwT: Efficient Privacy-Preserving Fine-Tuning of Large Language Models Using Forward-Only Passes
Large language models (LLMs) have transformed numerous fields, yet their adaptation to specialized tasks in privacy-sensitive domains, such as healthcare and finance, is constrained by the scarcity of accessible training data due to stringent privacy requirements. Secure multi-party computation (MPC)-based privacy-preserving machine learning offers a powerful approach to protect both model parameters and user data, but its application to LLMs has been largely limited to inference, as fine-tuning introduces significant computational challenges, particularly in privacy-preserving backward propagation and optimizer operations. This paper identifies two primary obstacles to MPC-based privacy-preserving fine-tuning of LLMs: (1) the substantial computational overhead of backward and optimizer processes, and (2) the inefficiency of softmax-based attention mechanisms in MPC settings. To address these challenges, we propose SecFwT, the first MPC-based framework designed for efficient, privacy-preserving LLM fine-tuning. SecFwT introduces a forward-only tuning paradigm to eliminate backward and optimizer computations and employs MPC-friendly Random Feature Attention to approximate softmax attention, significantly reducing costly non-linear operations and computational complexity. Experimental results demonstrate that SecFwT delivers substantial improvements in efficiency and privacy preservation, enabling scalable and secure fine-tuning of LLMs for privacy-critical applications.
☆ Conditional Generative Modeling for Enhanced Credit Risk Management in Supply Chain Finance
The rapid expansion of cross-border e-commerce (CBEC) has created significant opportunities for small and medium-sized enterprises (SMEs), yet financing remains a critical challenge due to SMEs' limited credit histories. Third-party logistics (3PL)-led supply chain finance (SCF) has emerged as a promising solution, leveraging in-transit inventory as collateral. We propose an advanced credit risk management framework tailored for 3PL-led SCF, addressing the dual challenges of credit risk assessment and loan size determination. Specifically, we leverage conditional generative modeling of sales distributions through Quantile-Regression-based Generative Metamodeling (QRGMM) as the foundation for risk estimation. We propose a unified framework that enables flexible estimation of multiple risk measures while introducing a functional risk measure formulation that systematically captures the relationship between these risk measures and varying loan levels, supported by theoretical guarantees. To capture complex covariate interactions in e-commerce sales data, we integrate QRGMM with Deep Factorization Machines (DeepFM). Extensive experiments on synthetic and real-world data validate the efficacy of our model for credit risk assessment and loan size determination. This study represents a pioneering application of generative AI in CBEC SCF risk management, offering a solid foundation for enhanced credit practices and improved SME access to capital.
☆ ConLID: Supervised Contrastive Learning for Low-Resource Language Identification EMNLP
Language identification (LID) is a critical step in curating multilingual LLM pretraining corpora from web crawls. While many studies on LID model training focus on collecting diverse training data to improve performance, low-resource languages -- often limited to single-domain data, such as the Bible -- continue to perform poorly. To resolve these class imbalance and bias issues, we propose a novel supervised contrastive learning (SCL) approach to learn domain-invariant representations for low-resource languages. Through an extensive analysis, we show that our approach improves LID performance on out-of-domain data for low-resource languages by 3.2%, demonstrating its effectiveness in enhancing LID models.
comment: Submitted to EMNLP
☆ DOVA-PATBM: An Intelligent, Adaptive, and Scalable Framework for Optimizing Large-Scale EV Charging Infrastructure
The accelerating uptake of battery-electric vehicles demands infrastructure planning tools that are both data-rich and geographically scalable. Whereas most prior studies optimise charging locations for single cities, state-wide and national networks must reconcile the conflicting requirements of dense metropolitan cores, car-dependent exurbs, and power-constrained rural corridors. We present DOVA-PATBM (Deployment Optimisation with Voronoi-oriented, Adaptive, POI-Aware Temporal Behaviour Model), a geo-computational framework that unifies these contexts in a single pipeline. The method rasterises heterogeneous data (roads, population, night lights, POIs, and feeder lines) onto a hierarchical H3 grid, infers intersection importance with a zone-normalised graph neural network centrality model, and overlays a Voronoi tessellation that guarantees at least one five-port DC fast charger within every 30 km radius. Hourly arrival profiles, learned from loop-detector and floating-car traces, feed a finite M/M/c queue to size ports under feeder-capacity and outage-risk constraints. A greedy maximal-coverage heuristic with income-weighted penalties then selects the minimum number of sites that satisfy coverage and equity targets. Applied to the State of Georgia, USA, DOVA-PATBM (i) increases 30 km tile coverage by 12 percentage points, (ii) halves the mean distance that low-income residents travel to the nearest charger, and (iii) meets sub-transmission headroom everywhere -- all while remaining computationally tractable for national-scale roll-outs. These results demonstrate that a tightly integrated, GNN-driven, multi-resolution approach can bridge the gap between academic optimisation and deployable infrastructure policy.
☆ Unlocking Post-hoc Dataset Inference with Synthetic Data ICML 2025
The remarkable capabilities of Large Language Models (LLMs) can be mainly attributed to their massive training datasets, which are often scraped from the internet without respecting data owners' intellectual property rights. Dataset Inference (DI) offers a potential remedy by identifying whether a suspect dataset was used in training, thereby enabling data owners to verify unauthorized use. However, existing DI methods require a private set-known to be absent from training-that closely matches the compromised dataset's distribution. Such in-distribution, held-out data is rarely available in practice, severely limiting the applicability of DI. In this work, we address this challenge by synthetically generating the required held-out set. Our approach tackles two key obstacles: (1) creating high-quality, diverse synthetic data that accurately reflects the original distribution, which we achieve via a data generator trained on a carefully designed suffix-based completion task, and (2) bridging likelihood gaps between real and synthetic data, which is realized through post-hoc calibration. Extensive experiments on diverse text datasets show that using our generated data as a held-out set enables DI to detect the original training sets with high confidence, while maintaining a low false positive rate. This result empowers copyright owners to make legitimate claims on data usage and demonstrates our method's reliability for real-world litigations. Our code is available at https://github.com/sprintml/PostHocDatasetInference.
comment: Accepted at ICML 2025
☆ Centroid Approximation for Byzantine-Tolerant Federated Learning
Federated learning allows each client to keep its data locally when training machine learning models in a distributed setting. Significant recent research established the requirements that the input must satisfy in order to guarantee convergence of the training loop. This line of work uses averaging as the aggregation rule for the training models. In particular, we are interested in whether federated learning is robust to Byzantine behavior, and observe and investigate a tradeoff between the average/centroid and the validity conditions from distributed computing. We show that the various validity conditions alone do not guarantee a good approximation of the average. Furthermore, we show that reaching good approximation does not give good results in experimental settings due to possible Byzantine outliers. Our main contribution is the first lower bound of $\min\{\frac{n-t}{t},\sqrt{d}\}$ on the centroid approximation under box validity that is often considered in the literature, where $n$ is the number of clients, $t$ the upper bound on the number of Byzantine faults, and $d$ is the dimension of the machine learning model. We complement this lower bound by an upper bound of $2\min\{n,\sqrt{d}\}$, by providing a new analysis for the case $n
comment: 19 pages, 10 figures
☆ Minimizing Structural Vibrations via Guided Flow Matching Design Optimization
Structural vibrations are a source of unwanted noise in engineering systems like cars, trains or airplanes. Minimizing these vibrations is crucial for improving passenger comfort. This work presents a novel design optimization approach based on guided flow matching for reducing vibrations by placing beadings (indentations) in plate-like structures. Our method integrates a generative flow matching model and a surrogate model trained to predict structural vibrations. During the generation process, the flow matching model pushes towards manufacturability while the surrogate model pushes to low-vibration solutions. The flow matching model and its training data implicitly define the design space, enabling a broader exploration of potential solutions as no optimization of manually-defined design parameters is required. We apply our method to a range of differentiable optimization objectives, including direct optimization of specific eigenfrequencies through careful construction of the objective function. Results demonstrate that our method generates diverse and manufacturable plate designs with reduced structural vibrations compared to designs from random search, a criterion-based design heuristic and genetic optimization. The code and data are available from https://github.com/ecker-lab/Optimizing_Vibrating_Plates.
☆ Singular Value Decomposition on Kronecker Adaptation for Large Language Model
Large pre-trained Transformer models achieve state-of-the-art results across diverse language and reasoning tasks, but full fine-tuning incurs substantial storage, memory, and computational overhead. Parameter-efficient fine-tuning (PEFT) methods mitigate these costs by learning only a small subset of task-specific parameters, yet existing approaches either introduce inference-time latency (adapter modules), suffer from suboptimal convergence (randomly initialized low-rank updates), or rely on fixed rank choices that may not match task complexity (Kronecker-based decompositions). We propose SoKA (SVD on Kronecker Adaptation), a novel PEFT strategy that combines Kronecker-product tensor factorization with SVD-driven initialization and spectrum-aware dynamic rank selection. Our Kronecker-Product SVD (KPSVD) procedure extracts principal components of the full weight update into compact Kronecker factors, while an adaptive rank selection algorithm uses energy-threshold and elbow-point criteria to prune negligible components. Empirical evaluation on LLaMA2-7B across arithmetic reasoning (GSM8K), formal mathematics (MATH), and code generation (MBPP) demonstrates that SoKA requires only 0.99M trainable parameters, 25% fewer than LoRA/PiSSA, while matching or exceeding baseline performance. Moreover, SoKA exhibits faster convergence and more stable gradients, highlighting its robustness and efficiency for large-scale model adaptation.
☆ Context-Aware Deep Lagrangian Networks for Model Predictive Control
Controlling a robot based on physics-informed dynamic models, such as deep Lagrangian networks (DeLaN), can improve the generalizability and interpretability of the resulting behavior. However, in complex environments, the number of objects to potentially interact with is vast, and their physical properties are often uncertain. This complexity makes it infeasible to employ a single global model. Therefore, we need to resort to online system identification of context-aware models that capture only the currently relevant aspects of the environment. While physical principles such as the conservation of energy may not hold across varying contexts, ensuring physical plausibility for any individual context-aware model can still be highly desirable, particularly when using it for receding horizon control methods such as Model Predictive Control (MPC). Hence, in this work, we extend DeLaN to make it context-aware, combine it with a recurrent network for online system identification, and integrate it with a MPC for adaptive, physics-informed control. We also combine DeLaN with a residual dynamics model to leverage the fact that a nominal model of the robot is typically available. We evaluate our method on a 7-DOF robot arm for trajectory tracking under varying loads. Our method reduces the end-effector tracking error by 39%, compared to a 21% improvement achieved by a baseline that uses an extended Kalman filter.
comment: Accepted to IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS) 2025
☆ Interpretability and Generalization Bounds for Learning Spatial Physics
While there are many applications of ML to scientific problems that look promising, visuals can be deceiving. For scientific applications, actual quantitative accuracy is crucial. This work applies the rigor of numerical analysis for differential equations to machine learning by specifically quantifying the accuracy of applying different ML techniques to the elementary 1D Poisson differential equation. Beyond the quantity and discretization of data, we identify that the function space of the data is critical to the generalization of the model. We prove generalization bounds and convergence rates under finite data discretizations and restricted training data subspaces by analyzing the training dynamics and deriving optimal parameters for both a white-box differential equation discovery method and a black-box linear model. The analytically derived generalization bounds are replicated empirically. Similar lack of generalization is empirically demonstrated for deep linear models, shallow neural networks, and physics-specific DeepONets and Neural Operators. We theoretically and empirically demonstrate that generalization to the true physical equation is not guaranteed in each explored case. Surprisingly, we find that different classes of models can exhibit opposing generalization behaviors. Based on our theoretical analysis, we also demonstrate a new mechanistic interpretability lens on scientific models whereby Green's function representations can be extracted from the weights of black-box models. Our results inform a new cross-validation technique for measuring generalization in physical systems. We propose applying it to the Poisson equation as an evaluation benchmark of future methods.
☆ Learning Task-Agnostic Skill Bases to Uncover Motor Primitives in Animal Behaviors
Animals flexibly recombine a finite set of core motor primitives to meet diverse task demands, but existing behavior-segmentation methods oversimplify this process by imposing discrete syllables under restrictive generative assumptions. To reflect the animal behavior generation procedure, we introduce skill-based imitation learning (SKIL) for behavior understanding, a reinforcement learning-based imitation framework that (1) infers interpretable skill sets, i.e., latent basis functions of behavior, by leveraging representation learning on transition probabilities, and (2) parameterizes policies as dynamic mixtures of these skills. We validate our approach on a simple grid world, a discrete labyrinth, and unconstrained videos of freely moving animals. Across tasks, it identifies reusable skill components, learns continuously evolving compositional policies, and generates realistic trajectories beyond the capabilities of traditional discrete models. By exploiting generative behavior modeling with compositional representations, our method offers a concise, principled account of how complex animal behaviors emerge from dynamic combinations of fundamental motor primitives.
comment: 9 pages and 4 figures for the main text
☆ Classification of Multi-Parametric Body MRI Series Using Deep Learning
Multi-parametric magnetic resonance imaging (mpMRI) exams have various series types acquired with different imaging protocols. The DICOM headers of these series often have incorrect information due to the sheer diversity of protocols and occasional technologist errors. To address this, we present a deep learning-based classification model to classify 8 different body mpMRI series types so that radiologists read the exams efficiently. Using mpMRI data from various institutions, multiple deep learning-based classifiers of ResNet, EfficientNet, and DenseNet are trained to classify 8 different MRI series, and their performance is compared. Then, the best-performing classifier is identified, and its classification capability under the setting of different training data quantities is studied. Also, the model is evaluated on the out-of-training-distribution datasets. Moreover, the model is trained using mpMRI exams obtained from different scanners in two training strategies, and its performance is tested. Experimental results show that the DenseNet-121 model achieves the highest F1-score and accuracy of 0.966 and 0.972 over the other classification models with p-value$<$0.05. The model shows greater than 0.95 accuracy when trained with over 729 studies of the training data, whose performance improves as the training data quantities grew larger. On the external data with the DLDS and CPTAC-UCEC datasets, the model yields 0.872 and 0.810 accuracy for each. These results indicate that in both the internal and external datasets, the DenseNet-121 model attains high accuracy for the task of classifying 8 body MRI series types.
☆ ImprovDML: Improved Trade-off in Private Byzantine-Resilient Distributed Machine Learning
Jointly addressing Byzantine attacks and privacy leakage in distributed machine learning (DML) has become an important issue. A common strategy involves integrating Byzantine-resilient aggregation rules with differential privacy mechanisms. However, the incorporation of these techniques often results in a significant degradation in model accuracy. To address this issue, we propose a decentralized DML framework, named ImprovDML, that achieves high model accuracy while simultaneously ensuring privacy preservation and resilience to Byzantine attacks. The framework leverages a kind of resilient vector consensus algorithms that can compute a point within the normal (non-Byzantine) agents' convex hull for resilient aggregation at each iteration. Then, multivariate Gaussian noises are introduced to the gradients for privacy preservation. We provide convergence guarantees and derive asymptotic learning error bounds under non-convex settings, which are tighter than those reported in existing works. For the privacy analysis, we adopt the notion of concentrated geo-privacy, which quantifies privacy preservation based on the Euclidean distance between inputs. We demonstrate that it enables an improved trade-off between privacy preservation and model accuracy compared to differential privacy. Finally, numerical simulations validate our theoretical results.
☆ In-Context Learning for Gradient-Free Receiver Adaptation: Principles, Applications, and Theory
In recent years, deep learning has facilitated the creation of wireless receivers capable of functioning effectively in conditions that challenge traditional model-based designs. Leveraging programmable hardware architectures, deep learning-based receivers offer the potential to dynamically adapt to varying channel environments. However, current adaptation strategies, including joint training, hypernetwork-based methods, and meta-learning, either demonstrate limited flexibility or necessitate explicit optimization through gradient descent. This paper presents gradient-free adaptation techniques rooted in the emerging paradigm of in-context learning (ICL). We review architectural frameworks for ICL based on Transformer models and structured state-space models (SSMs), alongside theoretical insights into how sequence models effectively learn adaptation from contextual information. Further, we explore the application of ICL to cell-free massive MIMO networks, providing both theoretical analyses and empirical evidence. Our findings indicate that ICL represents a principled and efficient approach to real-time receiver adaptation using pilot signals and auxiliary contextual information-without requiring online retraining.
☆ Advancing Loss Functions in Recommender Systems: A Comparative Study with a Rényi Divergence-Based Solution AAAI 2025
Loss functions play a pivotal role in optimizing recommendation models. Among various loss functions, Softmax Loss (SL) and Cosine Contrastive Loss (CCL) are particularly effective. Their theoretical connections and differences warrant in-depth exploration. This work conducts comprehensive analyses of these losses, yielding significant insights: 1) Common strengths -- both can be viewed as augmentations of traditional losses with Distributional Robust Optimization (DRO), enhancing robustness to distributional shifts; 2) Respective limitations -- stemming from their use of different distribution distance metrics in DRO optimization, SL exhibits high sensitivity to false negative instances, whereas CCL suffers from low data utilization. To address these limitations, this work proposes a new loss function, DrRL, which generalizes SL and CCL by leveraging R\'enyi-divergence in DRO optimization. DrRL incorporates the advantageous structures of both SL and CCL, and can be demonstrated to effectively mitigate their limitations. Extensive experiments have been conducted to validate the superiority of DrRL on both recommendation accuracy and robustness.
comment: AAAI 2025
☆ Towards Reliable Forgetting: A Survey on Machine Unlearning Verification, Challenges, and Future Directions
With growing demands for privacy protection, security, and legal compliance (e.g., GDPR), machine unlearning has emerged as a critical technique for ensuring the controllability and regulatory alignment of machine learning models. However, a fundamental challenge in this field lies in effectively verifying whether unlearning operations have been successfully and thoroughly executed. Despite a growing body of work on unlearning techniques, verification methodologies remain comparatively underexplored and often fragmented. Existing approaches lack a unified taxonomy and a systematic framework for evaluation. To bridge this gap, this paper presents the first structured survey of machine unlearning verification methods. We propose a taxonomy that organizes current techniques into two principal categories -- behavioral verification and parametric verification -- based on the type of evidence used to assess unlearning fidelity. We examine representative methods within each category, analyze their underlying assumptions, strengths, and limitations, and identify potential vulnerabilities in practical deployment. In closing, we articulate a set of open problems in current verification research, aiming to provide a foundation for developing more robust, efficient, and theoretically grounded unlearning verification mechanisms.
☆ Transit for All: Mapping Equitable Bike2Subway Connection using Region Representation Learning
Ensuring equitable public transit access remains challenging, particularly in densely populated cities like New York City (NYC), where low-income and minority communities often face limited transit accessibility. Bike-sharing systems (BSS) can bridge these equity gaps by providing affordable first- and last-mile connections. However, strategically expanding BSS into underserved neighborhoods is difficult due to uncertain bike-sharing demand at newly planned ("cold-start") station locations and limitations in traditional accessibility metrics that may overlook realistic bike usage potential. We introduce Transit for All (TFA), a spatial computing framework designed to guide the equitable expansion of BSS through three components: (1) spatially-informed bike-sharing demand prediction at cold-start stations using region representation learning that integrates multimodal geospatial data, (2) comprehensive transit accessibility assessment leveraging our novel weighted Public Transport Accessibility Level (wPTAL) by combining predicted bike-sharing demand with conventional transit accessibility metrics, and (3) strategic recommendations for new bike station placements that consider potential ridership and equity enhancement. Using NYC as a case study, we identify transit accessibility gaps that disproportionately impact low-income and minority communities in historically underserved neighborhoods. Our results show that strategically placing new stations guided by wPTAL notably reduces disparities in transit access related to economic and demographic factors. From our study, we demonstrate that TFA provides practical guidance for urban planners to promote equitable transit and enhance the quality of life in underserved urban communities.
☆ Neural Canonical Polyadic Factorization for Traffic Analysis
Modern intelligent transportation systems rely on accurate spatiotemporal traffic analysis to optimize urban mobility and infrastructure resilience. However, pervasive missing data caused by sensor failures and heterogeneous sensing gaps fundamentally hinders reliable traffic modeling. This paper proposes a Neural Canonical Polyadic Factorization (NCPF) model that synergizes low-rank tensor algebra with deep representation learning for robust traffic data imputation. The model innovatively embeds CP decomposition into neural architecture through learnable embedding projections, where sparse traffic tensors are encoded into dense latent factors across road segments, time intervals, and mobility metrics. A hierarchical feature fusion mechanism employs Hadamard products to explicitly model multilinear interactions, while stacked multilayer perceptron layers nonlinearly refine these representations to capture complex spatiotemporal couplings. Extensive evaluations on six urban traffic datasets demonstrate NCPF's superiority over six state-of-the-art baselines. By unifying CP decomposition's interpretable factor analysis with neural network's nonlinear expressive power, NCPF provides a principled yet flexible approaches for high-dimensional traffic data imputation, offering critical support for next-generation transportation digital twins and adaptive traffic control systems.
☆ Enhancing Vector Quantization with Distributional Matching: A Theoretical and Empirical Study
The success of autoregressive models largely depends on the effectiveness of vector quantization, a technique that discretizes continuous features by mapping them to the nearest code vectors within a learnable codebook. Two critical issues in existing vector quantization methods are training instability and codebook collapse. Training instability arises from the gradient discrepancy introduced by the straight-through estimator, especially in the presence of significant quantization errors, while codebook collapse occurs when only a small subset of code vectors are utilized during training. A closer examination of these issues reveals that they are primarily driven by a mismatch between the distributions of the features and code vectors, leading to unrepresentative code vectors and significant data information loss during compression. To address this, we employ the Wasserstein distance to align these two distributions, achieving near 100\% codebook utilization and significantly reducing the quantization error. Both empirical and theoretical analyses validate the effectiveness of the proposed approach.
☆ Learning-Time Encoding Shapes Unlearning in LLMs
As large language models (LLMs) are increasingly deployed in the real world, the ability to ``unlearn'', or remove specific pieces of knowledge post hoc, has become essential for a variety of reasons ranging from privacy regulations to correcting outdated or harmful content. Prior work has proposed unlearning benchmarks and algorithms, and has typically assumed that the training process and the target model are fixed. In this work, we empirically investigate how learning-time choices in knowledge encoding impact the effectiveness of unlearning factual knowledge. Our experiments reveal two key findings: (1) learning with paraphrased descriptions improves unlearning performance and (2) unlearning individual piece of knowledge from a chunk of text is challenging. Our results suggest that learning-time knowledge encoding may play a central role in enabling reliable post-hoc unlearning.
☆ CWGAN-GP Augmented CAE for Jamming Detection in 5G-NR in Non-IID Datasets
In the ever-expanding domain of 5G-NR wireless cellular networks, over-the-air jamming attacks are prevalent as security attacks, compromising the quality of the received signal. We simulate a jamming environment by incorporating additive white Gaussian noise (AWGN) into the real-world In-phase and Quadrature (I/Q) OFDM datasets. A Convolutional Autoencoder (CAE) is exploited to implement a jamming detection over various characteristics such as heterogenous I/Q datasets; extracting relevant information on Synchronization Signal Blocks (SSBs), and fewer SSB observations with notable class imbalance. Given the characteristics of datasets, balanced datasets are acquired by employing a Conv1D conditional Wasserstein Generative Adversarial Network-Gradient Penalty(CWGAN-GP) on both majority and minority SSB observations. Additionally, we compare the performance and detection ability of the proposed CAE model on augmented datasets with benchmark models: Convolutional Denoising Autoencoder (CDAE) and Convolutional Sparse Autoencoder (CSAE). Despite the complexity of data heterogeneity involved across all datasets, CAE depicts the robustness in detection performance of jammed signal by achieving average values of 97.33% precision, 91.33% recall, 94.08% F1-score, and 94.35% accuracy over CDAE and CSAE.
comment: 6 pages, 5 figures, Accepted to IEEE International Symposium on Personal, Indoor and Mobile Radio Communications (PIMRC) 2025
☆ Semantically-Aware Rewards for Open-Ended R1 Training in Free-Form Generation
Evaluating open-ended long-form generation is challenging because it is hard to define what clearly separates good from bad outputs. Existing methods often miss key aspects like coherence, style, or relevance, or are biased by pretraining data, making open-ended long-form evaluation an underexplored problem. To address this gap, we propose PrefBERT, a scoring model for evaluating open-ended long-form generation in GRPO and guiding its training with distinct rewards for good and bad outputs. Trained on two response evaluation datasets with diverse long-form styles and Likert-rated quality, PrefBERT effectively supports GRPO by offering better semantic reward feedback than traditional metrics ROUGE-L and BERTScore do. Through comprehensive evaluations, including LLM-as-a-judge, human ratings, and qualitative analysis, we show that PrefBERT, trained on multi-sentence and paragraph-length responses, remains reliable across varied long passages and aligns well with the verifiable rewards GRPO needs. Human evaluations confirm that using PrefBERT as the reward signal to train policy models yields responses better aligned with human preferences than those trained with traditional metrics. Our code is available at https://github.com/zli12321/long_form_rl.
☆ HEAL: An Empirical Study on Hallucinations in Embodied Agents Driven by Large Language Models
Large language models (LLMs) are increasingly being adopted as the cognitive core of embodied agents. However, inherited hallucinations, which stem from failures to ground user instructions in the observed physical environment, can lead to navigation errors, such as searching for a refrigerator that does not exist. In this paper, we present the first systematic study of hallucinations in LLM-based embodied agents performing long-horizon tasks under scene-task inconsistencies. Our goal is to understand to what extent hallucinations occur, what types of inconsistencies trigger them, and how current models respond. To achieve these goals, we construct a hallucination probing set by building on an existing benchmark, capable of inducing hallucination rates up to 40x higher than base prompts. Evaluating 12 models across two simulation environments, we find that while models exhibit reasoning, they fail to resolve scene-task inconsistencies-highlighting fundamental limitations in handling infeasible tasks. We also provide actionable insights on ideal model behavior for each scenario, offering guidance for developing more robust and reliable planning strategies.
☆ HiPreNets: High-Precision Neural Networks through Progressive Training
Deep neural networks are powerful tools for solving nonlinear problems in science and engineering, but training highly accurate models becomes challenging as problem complexity increases. Non-convex optimization and numerous hyperparameters to tune make performance improvement difficult, and traditional approaches often prioritize minimizing mean squared error (MSE) while overlooking $L^{\infty}$ error, which is the critical focus in many applications. To address these challenges, we present a progressive framework for training and tuning high-precision neural networks (HiPreNets). Our approach refines a previously explored staged training technique for neural networks that improves an existing fully connected neural network by sequentially learning its prediction residuals using additional networks, leading to improved overall accuracy. We discuss how to take advantage of the structure of the residuals to guide the choice of loss function, number of parameters to use, and ways to introduce adaptive data sampling techniques. We validate our framework's effectiveness through several benchmark problems.
☆ Muon Optimizes Under Spectral Norm Constraints
The pursuit of faster optimization algorithms remains an active and important research direction in deep learning. Recently, the Muon optimizer [JJB+24] has demonstrated promising empirical performance, but its theoretical foundation remains less understood. In this paper, we bridge this gap and provide a theoretical analysis of Muon by placing it within the Lion-$\mathcal{K}$ family of optimizers [CLLL24]. Specifically, we show that Muon corresponds to Lion-$\mathcal{K}$ when equipped with the nuclear norm, and we leverage the theoretical results of Lion-$\mathcal{K}$ to establish that Muon (with decoupled weight decay) implicitly solves an optimization problem that enforces a constraint on the spectral norm of weight matrices. This perspective not only demystifies the implicit regularization effects of Muon but also leads to natural generalizations through varying the choice of convex map $\mathcal{K}$, allowing for the exploration of a broader class of implicitly regularized and constrained optimization algorithms.
☆ Sequential Policy Gradient for Adaptive Hyperparameter Optimization
Reinforcement learning is essential for neural architecture search and hyperparameter optimization, but the conventional approaches impede widespread use due to prohibitive time and computational costs. Inspired by DeepSeek-V3 multi-token prediction architecture, we propose Sequential Policy Gradient modeling (SPG), a novel trajectory generation paradigm for lightweight online hyperparameter optimization. In contrast to conventional policy gradient methods, SPG extends the base model with temporary modules, enabling it to generate state-action (padded) trajectories in a single forward pass. Our experiments demonstrate that models gain performance when retrained with SPG on their original datasets and also outperform standard transfer fine-tuning. We evaluate on five datasets spanning computer vision (ImageNet, COCO), natural language processing (GLUE, SQuAD), and audio (SUPERB) to assess the industrial applicability of SPG. The proposed method demonstrates consistent improvements across widely adopted models, achieving performance gains of $+0.2\sim7\%$, with significantly low computational costs. Fully reproducible code and pre-trained models: https://huggingface.co/UniversalAlgorithmic/SPG.
comment: 10 pages, 2 figures
☆ Systems-Theoretic and Data-Driven Security Analysis in ML-enabled Medical Devices
The integration of AI/ML into medical devices is rapidly transforming healthcare by enhancing diagnostic and treatment facilities. However, this advancement also introduces serious cybersecurity risks due to the use of complex and often opaque models, extensive interconnectivity, interoperability with third-party peripheral devices, Internet connectivity, and vulnerabilities in the underlying technologies. These factors contribute to a broad attack surface and make threat prevention, detection, and mitigation challenging. Given the highly safety-critical nature of these devices, a cyberattack on these devices can cause the ML models to mispredict, thereby posing significant safety risks to patients. Therefore, ensuring the security of these devices from the time of design is essential. This paper underscores the urgency of addressing the cybersecurity challenges in ML-enabled medical devices at the pre-market phase. We begin by analyzing publicly available data on device recalls and adverse events, and known vulnerabilities, to understand the threat landscape of AI/ML-enabled medical devices and their repercussions on patient safety. Building on this analysis, we introduce a suite of tools and techniques designed by us to assist security analysts in conducting comprehensive premarket risk assessments. Our work aims to empower manufacturers to embed cybersecurity as a core design principle in AI/ML-enabled medical devices, thereby making them safe for patients.
comment: 32 pages, 6 figures, 6 tables
☆ Performative Validity of Recourse Explanations
When applicants get rejected by an algorithmic decision system, recourse explanations provide actionable suggestions for how to change their input features to get a positive evaluation. A crucial yet overlooked phenomenon is that recourse explanations are performative: When many applicants act according to their recommendations, their collective behavior may change statistical regularities in the data and, once the model is refitted, also the decision boundary. Consequently, the recourse algorithm may render its own recommendations invalid, such that applicants who make the effort of implementing their recommendations may be rejected again when they reapply. In this work, we formally characterize the conditions under which recourse explanations remain valid under performativity. A key finding is that recourse actions may become invalid if they are influenced by or if they intervene on non-causal variables. Based on our analysis, we caution against the use of standard counterfactual explanations and causal recourse methods, and instead advocate for recourse methods that recommend actions exclusively on causal variables.
comment: 34 pages, 3 figures, 1 table, Preprint
♻ ☆ Robust Physics-Informed Neural Network Approach for Estimating Heterogeneous Elastic Properties from Noisy Displacement Data
Accurately estimating spatially heterogeneous elasticity parameters, particularly Young's modulus and Poisson's ratio, from noisy displacement measurements remains significantly challenging in inverse elasticity problems. Existing inverse estimation techniques are often limited by instability, pronounced sensitivity to measurement noise, and difficulty in recovering absolute-scale Young's modulus. This work presents a novel Inverse Elasticity Physics-Informed Neural Network (IE-PINN) specifically designed to robustly reconstruct heterogeneous distributions of elasticity parameters from noisy displacement data based on linear elasticity physics. IE-PINN integrates three distinct neural network architectures dedicated to separately modeling displacement fields, strain fields, and elasticity distributions, thereby significantly enhancing stability and accuracy against measurement noise. Additionally, a two-phase estimation strategy is introduced: the first phase recovers relative spatial distributions of Young's modulus and Poisson's ratio, and the second phase calibrates the absolute scale of Young's modulus using imposed loading boundary conditions. Additional methodological innovations, including positional encoding, sine activation functions, and a sequential pretraining protocol, further enhance the model's performance and robustness. Extensive numerical experiments demonstrate that IE-PINN effectively overcomes critical limitations encountered by existing methods, delivering accurate absolute-scale elasticity estimations even under severe noise conditions. This advancement holds substantial potential for clinical imaging diagnostics and mechanical characterization, where measurements typically encounter substantial noise.
♻ ☆ Generalized Out-of-Distribution Detection and Beyond in Vision Language Model Era: A Survey
Detecting out-of-distribution (OOD) samples is crucial for ensuring the safety of machine learning systems and has shaped the field of OOD detection. Meanwhile, several other problems are closely related to OOD detection, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). To unify these problems, a generalized OOD detection framework was proposed, taxonomically categorizing these five problems. However, Vision Language Models (VLMs) such as CLIP have significantly changed the paradigm and blurred the boundaries between these fields, again confusing researchers. In this survey, we first present a generalized OOD detection v2, encapsulating the evolution of these fields in the VLM era. Our framework reveals that, with some field inactivity and integration, the demanding challenges have become OOD detection and AD. Then, we highlight the significant shift in the definition, problem settings, and benchmarks; we thus feature a comprehensive review of the methodology for OOD detection and related tasks to clarify their relationship to OOD detection. Finally, we explore the advancements in the emerging Large Vision Language Model (LVLM) era, such as GPT-4V. We conclude with open challenges and future directions. The resource is available at https://github.com/AtsuMiyai/Awesome-OOD-VLM.
comment: Accepted at TMLR2025. Survey paper. We welcome questions, issues, and paper requests via https://github.com/AtsuMiyai/Awesome-OOD-VLM
♻ ☆ Coherent Local Explanations for Mathematical Optimization
The surge of explainable artificial intelligence methods seeks to enhance transparency and explainability in machine learning models. At the same time, there is a growing demand for explaining decisions taken through complex algorithms used in mathematical optimization. However, current explanation methods do not take into account the structure of the underlying optimization problem, leading to unreliable outcomes. In response to this need, we introduce Coherent Local Explanations for Mathematical Optimization (CLEMO). CLEMO provides explanations for multiple components of optimization models, the objective value and decision variables, which are coherent with the underlying model structure. Our sampling-based procedure can provide explanations for the behavior of exact and heuristic solution algorithms. The effectiveness of CLEMO is illustrated by experiments for the shortest path problem, the knapsack problem, and the vehicle routing problem.
♻ ☆ Router-R1: Teaching LLMs Multi-Round Routing and Aggregation via Reinforcement Learning
The rapid emergence of diverse large language models (LLMs) has spurred the development of LLM routers that assign user queries to the most suitable model. However, existing LLM routers typically perform a single-round, one-to-one mapping (\textit{i.e.}, assigning each query to a single model in isolation), which limits their capability to tackle complex tasks that demand the complementary strengths of multiple LLMs. In this paper, we present \textbf{Router-R1}, a reinforcement learning (RL)-based framework that formulates multi-LLM routing and aggregation as a sequential decision process. Router-R1 instantiates the router itself as a capable LLM, leveraging its reasoning ability to interleave "think" actions (internal deliberation) with "route" actions (dynamic model invocation), and integrates each response into its evolving context. To facilitate learning, we employ a lightweight rule-based reward comprising format rewards, final outcome rewards, and a novel cost reward for optimizing the balance between performance and cost, opening a pathway toward enhancing performance-cost trade-offs via RL. Router-R1 also conditions only on simple model descriptors such as pricing, latency, and example performance, enabling strong generalization to unseen model selection. Experiments on seven general and multi-hop QA benchmarks show that Router-R1 outperforms several strong baselines, achieving superior performance while maintaining robust generalization and cost management.
comment: Code is available at https://github.com/ulab-uiuc/Router-R1. Models and Datasets are available at https://huggingface.co/collections/ulab-ai/router-r1-6851bbe099c7a56914b5db03
♻ ☆ A Novel Perturb-ability Score to Mitigate Evasion Adversarial Attacks on Flow-Based ML-NIDS
As network security threats evolve, safeguarding flow-based Machine Learning (ML)-based Network Intrusion Detection Systems (NIDS) from evasion adversarial attacks is crucial. This paper introduces the notion of feature perturb-ability and presents a novel Perturb-ability Score (PS), which quantifies how susceptible NIDS features are to manipulation in the problem-space by an attacker. PS thereby identifies features structurally resistant to evasion attacks in flow-based ML-NIDS due to the semantics of network traffic fields, as these features are constrained by domain-specific limitations and correlations. Consequently, attempts to manipulate such features would likely either compromise the attack's malicious functionality, render the traffic invalid for processing, or potentially both outcomes simultaneously. We introduce and demonstrate the effectiveness of our PS-enabled defenses, PS-guided feature selection and PS-guided feature masking, in enhancing flow-based NIDS resilience. Experimental results across various ML-based NIDS models and public datasets show that discarding or masking highly manipulatable features (high-PS features) can maintain solid detection performance while significantly reducing vulnerability to evasion adversarial attacks. Our findings confirm that PS effectively identifies flow-based NIDS features susceptible to problem-space perturbations. This novel approach leverages problem-space NIDS domain constraints as lightweight universal defense mechanisms against evasion adversarial attacks targeting flow-based ML-NIDS.
♻ ☆ A dataset of high-resolution plantar pressures for gait analysis across varying footwear and walking speeds
Gait refers to the patterns of limb movement generated during walking, which are unique to each individual due to both physical and behavioral traits. Walking patterns have been widely studied in biometrics, biomechanics, sports, and rehabilitation. While traditional methods rely on video and motion capture, advances in plantar pressure sensing technology now offer deeper insights into gait. However, underfoot pressures during walking remain underexplored due to the lack of large, publicly accessible datasets. To address this, we introduce the UNB StepUP-P150 dataset: a footStep database for gait analysis and recognition using Underfoot Pressure, including data from 150 individuals. This dataset comprises high-resolution plantar pressure data (4 sensors per cm-squared) collected using a 1.2m by 3.6m pressure-sensing walkway. It contains over 200,000 footsteps from participants walking with various speeds (preferred, slow-to-stop, fast, and slow) and footwear conditions (barefoot, standard shoes, and two personal shoes), supporting advancements in biometric gait recognition and presenting new research opportunities in biomechanics and deep learning. UNB StepUP-P150 establishes a new benchmark for plantar pressure-based gait analysis and recognition.
♻ ☆ VideoHallu: Evaluating and Mitigating Multi-modal Hallucinations on Synthetic Video Understanding
Synthetic video generation has gained significant attention for its realism and broad applications, but remains prone to violations of common sense and physical laws. This highlights the need for reliable abnormality detectors that understand such principles and are robust to hallucinations. To address this, we introduce VideoHallu, a benchmark of over 3,000 video QA pairs built from synthetic videos generated by models like Veo2, Sora, and Kling, paired with expert-crafted counterintuitive QA to evaluate the critical thinking abilities of Multi-modal Large Language Models (MLLMs) on abnormalities that are perceptually obvious to humans but often hallucinated due to language priors. VideoHallu evaluates MLLMs' abnormality detection abilities with examples across alignment, consistency, commonsense, and physics. We benchmark SOTA MLLMs, including GPT-4o, Gemini-2.5-Pro, Qwen2.5-VL, Video-R1, and VideoChat-R1. We observe that these models perform well on many real-world benchmarks like MVBench and MovieChat, but still struggle with basic physics-based and commonsense reasoning in synthetic videos. We further show that post-training with Group Relative Policy Optimization (GRPO), using curriculum learning on datasets combining video QA with counterintuitive commonsense and physics reasoning over real and synthetic videos, improves MLLMs' abnormality detection and critical thinking, demonstrating the value of targeted training for improving their understanding of commonsense and physical laws. Our code is available at https://github.com/zli12321/VideoHallu.git.
♻ ☆ Alternating Regret for Online Convex Optimization
Motivated by alternating learning dynamics in two-player games, a recent work by Cevher et al.(2024) shows that $o(\sqrt{T})$ alternating regret is possible for any $T$-round adversarial Online Linear Optimization (OLO) problem, and left as an open question whether the same is true for general Online Convex Optimization (OCO). We answer this question in the affirmative by showing that the continuous Hedge algorithm achieves $\tilde{\mathcal{O}}(d^{\frac{2}{3}}T^{\frac{1}{3}})$ alternating regret for any adversarial $d$-dimensional OCO problems. We show that this implies an alternating learning dynamic that finds a Nash equilibrium for any convex-concave zero-sum games or a coarse correlated equilibrium for any convex two-player general-sum games at a rate of $\tilde{\mathcal{O}}(d^{\frac{2}{3}}/T^{\frac{2}{3}})$. To further improve the time complexity and/or the dimension dependence, we propose another simple algorithm, Follow-the-Regularized-Leader with a regularizer whose convex conjugate is 3rd-order smooth, for OCO with smooth and self-concordant loss functions (such as linear or quadratic losses). We instantiate our algorithm with different regularizers and show that, for example, when the decision set is the $\ell_2$ ball, our algorithm achieves $\tilde{\mathcal{O}}(T^{\frac{2}{5}})$ alternating regret with no dimension dependence (and a better $\tilde{\mathcal{O}}(T^{\frac{1}{3}})$ bound for quadratic losses). We complement our results by showing some algorithm-specific alternating regret lower bounds, including a somewhat surprising $\Omega(\sqrt{T})$ lower bound for a Regret Matching variant that is widely used in alternating learning dynamics.
♻ ☆ A Gravity-informed Spatiotemporal Transformer for Human Activity Intensity Prediction
Human activity intensity prediction is a crucial to many location-based services. Although tremendous progress has been made to model dynamic spatiotemporal patterns of human activity, most existing methods, including spatiotemporal graph neural networks (ST-GNNs), overlook physical constraints of spatial interactions and the over-smoothing phenomenon in spatial correlation modeling. To address these limitations, this work proposes a physics-informed deep learning framework, namely Gravity-informed Spatiotemporal Transformer (Gravityformer) by refining transformer attention to integrate the universal law of gravitation and explicitly incorporating constraints from spatial interactions. Specifically, it (1) estimates two spatially explicit mass parameters based on inflow and outflow, (2) models the likelihood of cross-unit interaction using closed-form solutions of spatial interactions to constrain spatial modeling randomness, and (3) utilizes the learned spatial interaction to guide and mitigate the over-smoothing phenomenon in transformer attention matrices. The underlying law of human activity can be explicitly modeled by the proposed adaptive gravity model. Moreover, a parallel spatiotemporal graph convolution transformer structure is proposed for achieving a balance between coupled spatial and temporal learning. Systematic experiments on six real-world large-scale activity datasets demonstrate the quantitative and qualitative superiority of our approach over state-of-the-art benchmarks. Additionally, the learned gravity attention matrix can be disentangled and interpreted based on geographical laws. This work provides a novel insight into integrating physical laws with deep learning for spatiotemporal predictive learning.
comment: 18 pages, 13 figures, under review
♻ ☆ Near-Optimal Clustering in Mixture of Markov Chains
We study the problem of clustering $T$ trajectories of length $H$, each generated by one of $K$ unknown ergodic Markov chains over a finite state space of size $S$. The goal is to accurately group trajectories according to their underlying generative model. We begin by deriving an instance-dependent, high-probability lower bound on the clustering error rate, governed by the weighted KL divergence between the transition kernels of the chains. We then present a novel two-stage clustering algorithm. In Stage~I, we apply spectral clustering using a new injective Euclidean embedding for ergodic Markov chains -- a contribution of independent interest that enables sharp concentration results. Stage~II refines the initial clusters via a single step of likelihood-based reassignment. Our method achieves a near-optimal clustering error with high probability, under the conditions $H = \tilde{\Omega}(\gamma_{\mathrm{ps}}^{-1} (S^2 \vee \pi_{\min}^{-1}))$ and $TH = \tilde{\Omega}(\gamma_{\mathrm{ps}}^{-1} S^2 )$, where $\pi_{\min}$ is the minimum stationary probability of a state across the $K$ chains and $\gamma_{\mathrm{ps}}$ is the minimum pseudo-spectral gap. These requirements provide significant improvements, if not at least comparable, to the state-of-the-art guarantee (Kausik et al., 2023), and moreover, our algorithm offers a key practical advantage: unlike existing approach, it requires no prior knowledge of model-specific quantities (e.g., separation between kernels or visitation probabilities). We conclude by discussing the inherent gap between our upper and lower bounds, providing insights into the unique structure of this clustering problem.
comment: 36 pages. Minor corrections in v2
♻ ☆ GL-LowPopArt: A Nearly Instance-Wise Minimax-Optimal Estimator for Generalized Low-Rank Trace Regression ICML 2025
We present `GL-LowPopArt`, a novel Catoni-style estimator for generalized low-rank trace regression. Building on `LowPopArt` (Jang et al., 2024), it employs a two-stage approach: nuclear norm regularization followed by matrix Catoni estimation. We establish state-of-the-art estimation error bounds, surpassing existing guarantees (Fan et al., 2019; Kang et al., 2022), and reveal a novel experimental design objective, $\mathrm{GL}(\pi)$. The key technical challenge is controlling bias from the nonlinear inverse link function, which we address by our two-stage approach. We prove a *local* minimax lower bound, showing that our `GL-LowPopArt` enjoys instance-wise optimality up to the condition number of the ground-truth Hessian. Applications include generalized linear matrix completion, where `GL-LowPopArt` achieves a state-of-the-art Frobenius error guarantee, and **bilinear dueling bandits**, a novel setting inspired by general preference learning (Zhang et al., 2024). Our analysis of a `GL-LowPopArt`-based explore-then-commit algorithm reveals a new, potentially interesting problem-dependent quantity, along with improved Borda regret bound than vectorization (Wu et al., 2024).
comment: 53 pages, 2 figures, 3 tables; Accepted as a Spotlight Poster to the 42nd International Conference on Machine Learning (ICML 2025). Minor correction to the arXiv title in v2 ;). Added ToC in v3
♻ ☆ Fractured Chain-of-Thought Reasoning
Inference-time scaling techniques have significantly bolstered the reasoning capabilities of large language models (LLMs) by harnessing additional computational effort at inference without retraining. Similarly, Chain-of-Thought (CoT) prompting and its extension, Long CoT, improve accuracy by generating rich intermediate reasoning trajectories, but these approaches incur substantial token costs that impede their deployment in latency-sensitive settings. In this work, we first show that truncated CoT, which stops reasoning before completion and directly generates the final answer, often matches full CoT sampling while using dramatically fewer tokens. Building on this insight, we introduce Fractured Sampling, a unified inference-time strategy that interpolates between full CoT and solution-only sampling along three orthogonal axes: (1) the number of reasoning trajectories, (2) the number of final solutions per trajectory, and (3) the depth at which reasoning traces are truncated. Through extensive experiments on five diverse reasoning benchmarks and several model scales, we demonstrate that Fractured Sampling consistently achieves superior accuracy-cost trade-offs, yielding steep log-linear scaling gains in Pass@k versus token budget. Our analysis reveals how to allocate computation across these dimensions to maximize performance, paving the way for more efficient and scalable LLM reasoning. Code is available at https://github.com/BaohaoLiao/frac-cot.
♻ ☆ $k$-Submodular Interdiction Problems under Distributional Risk-Receptiveness and Robustness: Application to Machine Learning
We study submodular optimization in adversarial context, applicable to machine learning problems such as feature selection using data susceptible to uncertainties and attacks. We focus on Stackelberg games between an attacker (or interdictor) and a defender where the attacker aims to minimize the defender's objective of maximizing a $k$-submodular function. We allow uncertainties arising from the success of attacks and inherent data noise, and address challenges due to incomplete knowledge of the probability distribution of random parameters. Specifically, we introduce Distributionally Robust $k$-Submodular Interdiction Problem (DRO $k$-SIP) and Distributionally Risk-Receptive $k$-Submodular Interdiction Problem (DRR $k$-SIP) along with finitely convergent exact algorithms for solving them. When solving the DRO $k$-SIP, the attacker optimizes their expected payoff with respect to the worst-case probability distribution within the ambiguity set, and thereby have robust attack strategies despite distributional ambiguity. In contrast, the DRR $k$-SIP identifies attacker strategies with the best-case probability distribution, and identifies critical vulnerabilities for the defender. The optimal values derived from both DRO $k$-SIP and DRR $k$-SIP offer a confidence interval-like range for the expected value of the defender's objective function, capturing distributional ambiguity. We conduct computational experiments on instances of feature selection and sensor placement problems, using Wisconsin breast cancer data and synthetic data, respectively.
♻ ☆ A Comprehensive Survey on Continual Learning in Generative Models
The rapid advancement of generative models has enabled modern AI systems to comprehend and produce highly sophisticated content, even achieving human-level performance in specific domains. However, these models remain fundamentally constrained by catastrophic forgetting - a persistent challenge where adapting to new tasks typically leads to significant degradation in performance on previously learned tasks. To address this practical limitation, numerous approaches have been proposed to enhance the adaptability and scalability of generative models in real-world applications. In this work, we present a comprehensive survey of continual learning methods for mainstream generative models, including large language models, multimodal large language models, vision language action models, and diffusion models. Drawing inspiration from the memory mechanisms of the human brain, we systematically categorize these approaches into three paradigms: architecture-based, regularization-based, and replay-based methods, while elucidating their underlying methodologies and motivations. We further analyze continual learning setups for different generative models, including training objectives, benchmarks, and core backbones, offering deeper insights into the field. The project page of this paper is available at https://github.com/Ghy0501/Awesome-Continual-Learning-in-Generative-Models.
comment: Preprint
♻ ☆ LoSAM: Local Search in Additive Noise Models with Mixed Mechanisms and General Noise for Global Causal Discovery
Inferring causal relationships from observational data is crucial when experiments are costly or infeasible. Additive noise models (ANMs) enable unique directed acyclic graph (DAG) identification, but existing sample-efficient ANM methods often rely on restrictive assumptions on the data generating process, limiting their applicability to real-world settings. We propose local search in additive noise models, LoSAM, a topological ordering method for learning a unique DAG in ANMs with mixed causal mechanisms and general noise distributions. We introduce new causal substructures and criteria for identifying roots and leaves, enabling efficient top-down learning. We prove asymptotic consistency and polynomial runtime, ensuring scalability and sample efficiency. We test LoSAM on synthetic and real-world data, demonstrating state-of-the-art performance across all mixed mechanism settings.
comment: To appear at the Forty-First Annual Conference on Uncertainty in Artificial Intelligence (UAI 2025)
♻ ☆ RadioRAG: Online Retrieval-augmented Generation for Radiology Question Answering
Large language models (LLMs) often generate outdated or inaccurate information based on static training datasets. Retrieval-augmented generation (RAG) mitigates this by integrating outside data sources. While previous RAG systems used pre-assembled, fixed databases with limited flexibility, we have developed Radiology RAG (RadioRAG), an end-to-end framework that retrieves data from authoritative radiologic online sources in real-time. We evaluate the diagnostic accuracy of various LLMs when answering radiology-specific questions with and without access to additional online information via RAG. Using 80 questions from the RSNA Case Collection across radiologic subspecialties and 24 additional expert-curated questions with reference standard answers, LLMs (GPT-3.5-turbo, GPT-4, Mistral-7B, Mixtral-8x7B, and Llama3 [8B and 70B]) were prompted with and without RadioRAG in a zero-shot inference scenario RadioRAG retrieved context-specific information from Radiopaedia in real-time. Accuracy was investigated. Statistical analyses were performed using bootstrapping. The results were further compared with human performance. RadioRAG improved diagnostic accuracy across most LLMs, with relative accuracy increases ranging up to 54% for different LLMs. It matched or exceeded non-RAG models and the human radiologist in question answering across radiologic subspecialties, particularly in breast imaging and emergency radiology. However, the degree of improvement varied among models; GPT-3.5-turbo and Mixtral-8x7B-instruct-v0.1 saw notable gains, while Mistral-7B-instruct-v0.2 showed no improvement, highlighting variability in RadioRAG's effectiveness. LLMs benefit when provided access to domain-specific data beyond their training data. RadioRAG shows potential to improve LLM accuracy and factuality in radiology question answering by integrating real-time domain-specific data.
comment: Published in Radiology: Artificial Intelligence
♻ ☆ Contributions to Representation Learning with Graph Autoencoders and Applications to Music Recommendation
Graph autoencoders (GAE) and variational graph autoencoders (VGAE) emerged as two powerful groups of unsupervised node embedding methods, with various applications to graph-based machine learning problems such as link prediction and community detection. Nonetheless, at the beginning of this Ph.D. project, GAE and VGAE models were also suffering from key limitations, preventing them from being adopted in the industry. In this thesis, we present several contributions to improve these models, with the general aim of facilitating their use to address industrial-level problems involving graph representations. Firstly, we propose two strategies to overcome the scalability issues of previous GAE and VGAE models, permitting to effectively train these models on large graphs with millions of nodes and edges. These strategies leverage graph degeneracy and stochastic subgraph decoding techniques, respectively. Besides, we introduce Gravity-Inspired GAE and VGAE, providing the first extensions of these models for directed graphs, that are ubiquitous in industrial applications. We also consider extensions of GAE and VGAE models for dynamic graphs. Furthermore, we argue that GAE and VGAE models are often unnecessarily complex, and we propose to simplify them by leveraging linear encoders. Lastly, we introduce Modularity-Aware GAE and VGAE to improve community detection on graphs, while jointly preserving good performances on link prediction. In the last part of this thesis, we evaluate our methods on several graphs extracted from the music streaming service Deezer. We put the emphasis on graph-based music recommendation problems. In particular, we show that our methods can improve the detection of communities of similar musical items to recommend to users, that they can effectively rank similar artists in a cold start setting, and that they permit modeling the music genre perception across cultures.
comment: Ph.D. thesis defended at \'Ecole Polytechnique (IPP) in March 2022. As mentioned in this thesis, several chapters present results also published in scientific articles written with co-authors
♻ ☆ M3-JEPA: Multimodal Alignment via Multi-gate MoE based on the Joint-Embedding Predictive Architecture ICML 2025
Current multimodal learning strategies primarily optimize in the original token space. Such a framework is easy to incorporate with the backbone of pretrained language model, but might result in modality collapse. To alleviate such issues, we leverage the Joint-Embedding Predictive Architecture (JEPA) on the multimodal tasks, which converts the input embedding into the output embedding space by a predictor and then conducts the cross-modal alignment on the latent space. We implement this predictor by a Multi-Gate Mixture of Experts (MMoE) and name the framework as M3-JEPA, accordingly. The gating function disentangles the modality-specific and shared information and derives information-theoretic optimality. The framework is implemented with both contrastive and regularization loss, and solved by alternative gradient descent (AGD) between different multimodal tasks. By thoroughly designed experiments, we show that M3-JEPA can obtain state-of-the-art performance on different modalities and tasks, generalize to unseen datasets and domains, and is computationally efficient in both training and inference. Our observation suggests that M3-JEPA might become a new basis to self-supervised learning in the open world.
comment: 16 pages, 5 figures. ICML 2025
♻ ☆ KANITE: Kolmogorov-Arnold Networks for ITE estimation
We introduce KANITE, a framework leveraging Kolmogorov-Arnold Networks (KANs) for Individual Treatment Effect (ITE) estimation under multiple treatments setting in causal inference. By utilizing KAN's unique abilities to learn univariate activation functions as opposed to learning linear weights by Multi-Layer Perceptrons (MLPs), we improve the estimates of ITEs. The KANITE framework comprises two key architectures: 1.Integral Probability Metric (IPM) architecture: This employs an IPM loss in a specialized manner to effectively align towards ITE estimation across multiple treatments. 2. Entropy Balancing (EB) architecture: This uses weights for samples that are learned by optimizing entropy subject to balancing the covariates across treatment groups. Extensive evaluations on benchmark datasets demonstrate that KANITE outperforms state-of-the-art algorithms in both $\epsilon_{\text{PEHE}}$ and $\epsilon_{\text{ATE}}$ metrics. Our experiments highlight the advantages of KANITE in achieving improved causal estimates, emphasizing the potential of KANs to advance causal inference methodologies across diverse application areas.
comment: 16 pages, 4 figures
♻ ☆ Interchangeable Token Embeddings for Extendable Vocabulary and Alpha-Equivalence ICML 2025
Language models lack the notion of interchangeable tokens: symbols that are semantically equivalent yet distinct, such as bound variables in formal logic. This limitation prevents generalization to larger vocabularies and hinders the model's ability to recognize alpha-equivalence, where renaming bound variables preserves meaning. We formalize this machine learning problem and introduce alpha-covariance, a metric for evaluating robustness to such transformations. To tackle this task, we propose a dual-part token embedding strategy: a shared component ensures semantic consistency, while a randomized component maintains token distinguishability. Compared to a baseline that relies on alpha-renaming for data augmentation, our approach demonstrates improved generalization to unseen tokens in linear temporal logic solving, propositional logic assignment prediction, and copying with an extendable vocabulary, while introducing a favorable inductive bias for alpha-equivalence. Our findings establish a foundation for designing language models that can learn interchangeable token representations, a crucial step toward more flexible and systematic reasoning in formal domains. Our code and project page are available at https://necrashter.github.io/interchangeable-token-embeddings
comment: ICML 2025 Poster Paper, Camera Ready Version
♻ ☆ Detecting Neurocognitive Disorders through Analyses of Topic Evolution and Cross-modal Consistency in Visual-Stimulated Narratives
Early detection of neurocognitive disorders (NCDs) is crucial for timely intervention and disease management. Given that language impairments manifest early in NCD progression, visual-stimulated narrative (VSN)-based analysis offers a promising avenue for NCD detection. Current VSN-based NCD detection methods primarily focus on linguistic microstructures (e.g., pauses, lexical diversity), which are potentially linked to bottom-up (stimulus-driven) cognitive processing. While these features illuminate basic language abilities, the higher-order linguistic macrostructures (e.g., thematic or logical development), which may reflect top-down (concept-driven) cognitive abilities, remain underexplored. These patterns are crucial for NCD detection yet challenging to quantify due to their abstract and complex nature. To bridge this gap, we propose two novel dynamic macrostructural approaches: (1) Dynamic Topic Model (DTM) to track topic evolution over time, and (2) Text-Image Temporal Alignment Network (TITAN) to measure cross-modal consistency between speech and visual stimuli. Experimental results validated the efficiency of proposed approaches in NCD detection, with TITAN achieving superior performance both on the CU-MARVEL-RABBIT corpus (F1 = 0.7238) and the ADReSS corpus (F1 = 0.8889). The feature contribution analysis revealed that macrostructural features (e.g., topic variability, topic change rate, and topic consistency) constituted the most significant contributors in the model's decision pathways, outperforming investigated microstructural features. These findings underscore the critical role of macrostructural patterns in understanding cognitive impairment mechanisms in NCDs.
comment: 13 pages, 7 figures, submitted to JSTSP
♻ ☆ Fast Convergence for High-Order ODE Solvers in Diffusion Probabilistic Models
Diffusion probabilistic models generate samples by learning to reverse a noise-injection process that transforms data into noise. Reformulating this reverse process as a deterministic probability flow ordinary differential equation (ODE) enables efficient sampling using high-order solvers, often requiring only $\mathcal{O}(10)$ steps. Since the score function is typically approximated by a neural network, analyzing the interaction between its regularity, approximation error, and numerical integration error is key to understanding the overall sampling accuracy. In this work, we continue our analysis of the convergence properties of the deterministic sampling methods derived from probability flow ODEs [25], focusing on $p$-th order (exponential) Runge-Kutta schemes for any integer $p \geq 1$. Under the assumption that the first and second derivatives of the approximate score function are bounded, we develop $p$-th order (exponential) Runge-Kutta schemes and demonstrate that the total variation distance between the target distribution and the generated data distribution can be bounded above by \begin{align*} O\bigl(d^{\frac{7}{4}}\varepsilon_{\text{score}}^{\frac{1}{2}} +d(dH_{\max})^p\bigr), \end{align*} where $\varepsilon^2_{\text{score}}$ denotes the $L^2$ error in the score function approximation, $d$ is the data dimension and $H_{\max}$ represents the maximum step size used in the solver. We numerically verify the regularity assumption on benchmark datasets, confirming that the first and second derivatives of the approximate score function remain bounded in practice. Our theoretical guarantees hold for general forward processes with arbitrary variance schedules.
comment: 64 pages, 7 figures
♻ ☆ Local minima of the empirical risk in high dimension: General theorems and convex examples
We consider a general model for high-dimensional empirical risk minimization whereby the data $\mathbf{x}_i$ are $d$-dimensional isotropic Gaussian vectors, the model is parametrized by $\mathbf{\Theta}\in\mathbb{R}^{d\times k}$, and the loss depends on the data via the projection $\mathbf{\Theta}^\mathsf{T}\mathbf{x}_i$. This setting covers as special cases classical statistics methods (e.g. multinomial regression and other generalized linear models), but also two-layer fully connected neural networks with $k$ hidden neurons. We use the Kac-Rice formula from Gaussian process theory to derive a bound on the expected number of local minima of this empirical risk, under the proportional asymptotics in which $n,d\to\infty$, with $n\asymp d$. Via Markov's inequality, this bound allows to determine the positions of these minimizers (with exponential deviation bounds) and hence derive sharp asymptotics on the estimation and prediction error. In this paper, we apply our characterization to convex losses, where high-dimensional asymptotics were not (in general) rigorously established for $k\ge 2$. We show that our approach is tight and allows to prove previously conjectured results. In addition, we characterize the spectrum of the Hessian at the minimizer. A companion paper applies our general result to non-convex examples.
comment: 101 pages, 5 figures
♻ ☆ Position Paper: Rethinking Privacy in RL for Sequential Decision-making in the Age of LLMs
The rise of reinforcement learning (RL) in critical real-world applications demands a fundamental rethinking of privacy in AI systems. Traditional privacy frameworks, designed to protect isolated data points, fall short for sequential decision-making systems where sensitive information emerges from temporal patterns, behavioral strategies, and collaborative dynamics. Modern RL paradigms, such as federated RL (FedRL) and RL with human feedback (RLHF) in large language models (LLMs), exacerbate these challenges by introducing complex, interactive, and context-dependent learning environments that traditional methods do not address. In this position paper, we argue for a new privacy paradigm built on four core principles: multi-scale protection, behavioral pattern protection, collaborative privacy preservation, and context-aware adaptation. These principles expose inherent tensions between privacy, utility, and interpretability that must be navigated as RL systems become more pervasive in high-stakes domains like healthcare, autonomous vehicles, and decision support systems powered by LLMs. To tackle these challenges, we call for the development of new theoretical frameworks, practical mechanisms, and rigorous evaluation methodologies that collectively enable effective privacy protection in sequential decision-making systems.
comment: IJCNN 2025 Position Paper Track
♻ ☆ A new type of federated clustering: A non-model-sharing approach
In recent years, the growing need to leverage sensitive data across institutions has led to increased attention on federated learning (FL), a decentralized machine learning paradigm that enables model training without sharing raw data. However, existing FL-based clustering methods, known as federated clustering, typically assume simple data partitioning scenarios such as horizontal or vertical splits, and cannot handle more complex distributed structures. This study proposes data collaboration clustering (DC-Clustering), a novel federated clustering method that supports clustering over complex data partitioning scenarios where horizontal and vertical splits coexist. In DC-Clustering, each institution shares only intermediate representations instead of raw data, ensuring privacy preservation while enabling collaborative clustering. The method allows flexible selection between k-means and spectral clustering, and achieves final results with a single round of communication with the central server. We conducted extensive experiments using synthetic and open benchmark datasets. The results show that our method achieves clustering performance comparable to centralized clustering where all data are pooled. DC-Clustering addresses an important gap in current FL research by enabling effective knowledge discovery from distributed heterogeneous data. Its practical properties -- privacy preservation, communication efficiency, and flexibility -- make it a promising tool for privacy-sensitive domains such as healthcare and finance.
♻ ☆ Interpretable representation learning of quantum data enabled by probabilistic variational autoencoders
Interpretable machine learning is rapidly becoming a crucial tool for scientific discovery. Among existing approaches, variational autoencoders (VAEs) have shown promise in extracting the hidden physical features of some input data, with no supervision nor prior knowledge of the system at study. Yet, the ability of VAEs to create meaningful, interpretable representations relies on their accurate approximation of the underlying probability distribution of their input. When dealing with quantum data, VAEs must hence account for its intrinsic randomness and complex correlations. While VAEs have been previously applied to quantum data, they have often neglected its probabilistic nature, hindering the extraction of meaningful physical descriptors. Here, we demonstrate that two key modifications enable VAEs to learn physically meaningful latent representations: a decoder capable of faithfully reproduce quantum states and a probabilistic loss tailored to this task. Using benchmark quantum spin models, we identify regimes where standard methods fail while the representations learned by our approach remain meaningful and interpretable. Applied to experimental data from Rydberg atom arrays, the model autonomously uncovers the phase structure without access to prior labels, Hamiltonian details, or knowledge of relevant order parameters, highlighting its potential as an unsupervised and interpretable tool for the study of quantum systems.
comment: Main text 10 pages, total document 16 pages, 10 figures
♻ ☆ No-Regret Learning Under Adversarial Resource Constraints: A Spending Plan Is All You Need!
We study online decision making problems under resource constraints, where both reward and cost functions are drawn from distributions that may change adversarially over time. We focus on two canonical settings: $(i)$ online resource allocation where rewards and costs are observed before action selection, and $(ii)$ online learning with resource constraints where they are observed after action selection, under full feedback or bandit feedback. It is well known that achieving sublinear regret in these settings is impossible when reward and cost distributions may change arbitrarily over time. To address this challenge, we analyze a framework in which the learner is guided by a spending plan--a sequence prescribing expected resource usage across rounds. We design general (primal-)dual methods that achieve sublinear regret with respect to baselines that follow the spending plan. Crucially, the performance of our algorithms improves when the spending plan ensures a well-balanced distribution of the budget across rounds. We additionally provide a robust variant of our methods to handle worst-case scenarios where the spending plan is highly imbalanced. To conclude, we study the regret of our algorithms when competing against benchmarks that deviate from the prescribed spending plan.
♻ ☆ Adversarially Robust Bloom Filters: Privacy, Reductions, and Open Problems
A Bloom filter is a space-efficient probabilistic data structure that represents a set $S$ of elements from a larger universe $U$. This efficiency comes with a trade-off, namely, it allows for a small chance of false positives. When you query the Bloom filter about an element x, the filter will respond 'Yes' if $x \in S$. If $x \notin S$, it may still respond 'Yes' with probability at most $\varepsilon$. We investigate the adversarial robustness and privacy of Bloom filters, addressing open problems across three prominent frameworks: the game-based model of Naor-Oved-Yogev (NOY), the simulator-based model of Filic et. al., and learning-augmented variants. We prove the first formal connection between the Filic and NOY models, showing that Filic correctness implies AB-test resilience. We resolve a longstanding open question by proving that PRF-backed Bloom filters fail the NOY model's stronger BP-test. Finally, we introduce the first private Bloom filters with differential privacy guarantees, including constructions applicable to learned Bloom filters. Our taxonomy organizes the space of robustness and privacy guarantees, clarifying relationships between models and constructions.
♻ ☆ Deep Graph Anomaly Detection: A Survey and New Perspectives
Graph anomaly detection (GAD), which aims to identify unusual graph instances (nodes, edges, subgraphs, or graphs), has attracted increasing attention in recent years due to its significance in a wide range of applications. Deep learning approaches, graph neural networks (GNNs) in particular, have been emerging as a promising paradigm for GAD, owing to its strong capability in capturing complex structure and/or node attributes in graph data. Considering the large number of methods proposed for GNN-based GAD, it is of paramount importance to summarize the methodologies and findings in the existing GAD studies, so that we can pinpoint effective model designs for tackling open GAD problems. To this end, in this work we aim to present a comprehensive review of deep learning approaches for GAD. Existing GAD surveys are focused on task-specific discussions, making it difficult to understand the technical insights of existing methods and their limitations in addressing some unique challenges in GAD. To fill this gap, we first discuss the problem complexities and their resulting challenges in GAD, and then provide a systematic review of current deep GAD methods from three novel perspectives of methodology, including GNN backbone design, proxy task design for GAD, and graph anomaly measures. To deepen the discussions, we further propose a taxonomy of 13 fine-grained method categories under these three perspectives to provide more in-depth insights into the model designs and their capabilities. To facilitate the experiments and validation, we also summarize a collection of widely-used GAD datasets and empirical comparison. We further discuss multiple open problems to inspire more future high-quality research. A continuously updated repository for datasets, links to the codes of algorithms, and empirical comparison is available at https://github.com/mala-lab/Awesome-Deep-Graph-Anomaly-Detection.
comment: Accepted by TKDE
♻ ☆ Machine Learners Should Acknowledge the Legal Implications of Large Language Models as Personal Data
Does GPT know you? The answer depends on your level of public recognition; however, if your information was available on a website, the answer could be yes. Most Large Language Models (LLMs) memorize training data to some extent. Thus, even when an LLM memorizes only a small amount of personal data, it typically falls within the scope of data protection laws. If a person is identified or identifiable, the implications are far-reaching. The LLM is subject to EU General Data Protection Regulation requirements even after the training phase is concluded. To back our arguments: (1.) We reiterate that LLMs output training data at inference time, be it verbatim or in generalized form. (2.) We show that some LLMs can thus be considered personal data on their own. This triggers a cascade of data protection implications such as data subject rights, including rights to access, rectification, or erasure. These rights extend to the information embedded within the AI model. (3.) This paper argues that machine learning researchers must acknowledge the legal implications of LLMs as personal data throughout the full ML development lifecycle, from data collection and curation to model provision on e.g., GitHub or Hugging Face. (4.) We propose different ways for the ML research community to deal with these legal implications. Our paper serves as a starting point for improving the alignment between data protection law and the technical capabilities of LLMs. Our findings underscore the need for more interaction between the legal domain and the ML community.
♻ ☆ Transformers Learn Faster with Semantic Focus
Various forms of sparse attention have been explored to mitigate the quadratic computational and memory cost of the attention mechanism in transformers. We study sparse transformers not through a lens of efficiency but rather in terms of learnability and generalization. Empirically studying a range of attention mechanisms, we find that input-dependent sparse attention models appear to converge faster and generalize better than standard attention models, while input-agnostic sparse attention models show no such benefits -- a phenomenon that is robust across architectural and optimization hyperparameter choices. This can be interpreted as demonstrating that concentrating a model's "semantic focus" with respect to the tokens currently being considered (in the form of input-dependent sparse attention) accelerates learning. We develop a theoretical characterization of the conditions that explain this behavior. We establish a connection between the stability of the standard softmax and the loss function's Lipschitz properties, then show how sparsity affects the stability of the softmax and the subsequent convergence and generalization guarantees resulting from the attention mechanism. This allows us to theoretically establish that input-agnostic sparse attention does not provide any benefits. We also characterize conditions when semantic focus (input-dependent sparse attention) can provide improved guarantees, and we validate that these conditions are in fact met in our empirical evaluations.
♻ ☆ Blockchain-Enabled Variational Information Bottleneck for Data Extraction Based on Mutual Information in Internet of Vehicles
The Internet of Vehicles (IoV) network can address the issue of limited computing resources and data processing capabilities of individual vehicles, but it also brings the risk of privacy leakage to vehicle users. Applying blockchain technology can establish secure data links within the IoV, solving the problems of insufficient computing resources for each vehicle and the security of data transmission over the network. However, with the development of the IoV, the amount of data interaction between multiple vehicles and between vehicles and base stations, roadside units, etc., is continuously increasing. There is a need to further reduce the interaction volume, and intelligent data compression is key to solving this problem. The VIB technique facilitates the training of encoding and decoding models, substantially diminishing the volume of data that needs to be transmitted. This paper introduces an innovative approach that integrates blockchain with VIB, referred to as BVIB, designed to lighten computational workloads and reinforce the security of the network. We first construct a new network framework by separating the encoding and decoding networks to address the computational burden issue, and then propose a new algorithm to enhance the security of IoV networks. We also discuss the impact of the data extraction rate on system latency to determine the most suitable data extraction rate. An experimental framework combining Python and C++ has been established to substantiate the efficacy of our BVIB approach. Comprehensive simulation studies indicate that the BVIB consistently excels in comparison to alternative foundational methodologies.
comment: This paper has been submitted to IEEE Journal. The source code has been released at: https://github.com/qiongwu86/BVIB-for-Data-Extraction-Based-on Mutual-Information-in-the-IoV
♻ ☆ Heterogeneous Relationships of Subjects and Shapelets for Semi-supervised Multivariate Series Classification
Multivariate time series (MTS) classification is widely applied in fields such as industry, healthcare, and finance, aiming to extract key features from complex time series data for accurate decision-making and prediction. However, existing methods for MTS often struggle due to the challenges of effectively modeling high-dimensional data and the lack of labeled data, resulting in poor classification performance. To address this issue, we propose a heterogeneous relationships of subjects and shapelets method for semi-supervised MTS classification. This method offers a novel perspective by integrating various types of additional information while capturing the relationships between them. Specifically, we first utilize a contrast temporal self-attention module to obtain sparse MTS representations, and then model the similarities between these representations using soft dynamic time warping to construct a similarity graph. Secondly, we learn the shapelets for different subject types, incorporating both the subject features and their shapelets as additional information to further refine the similarity graph, ultimately generating a heterogeneous graph. Finally, we use a dual level graph attention network to get prediction. Through this method, we successfully transform dataset into a heterogeneous graph, integrating multiple additional information and achieving precise semi-supervised node classification. Experiments on the Human Activity Recognition, sleep stage classification and University of East Anglia datasets demonstrate that our method outperforms current state-of-the-art methods in MTS classification tasks, validating its superiority.
comment: We would like to request the withdrawal of our manuscript due to logical errors in the paper
♻ ☆ Contrast Similarity-Aware Dual-Pathway Mamba for Multivariate Time Series Node Classification
Multivariate time series (MTS) data is generated through multiple sensors across various domains such as engineering application, health monitoring, and the internet of things, characterized by its temporal changes and high dimensional characteristics. Over the past few years, many studies have explored the long-range dependencies and similarities in MTS. However, long-range dependencies are difficult to model due to their temporal changes and high dimensionality makes it difficult to obtain similarities effectively and efficiently. Thus, to address these issues, we propose contrast similarity-aware dual-pathway Mamba for MTS node classification (CS-DPMamba). Firstly, to obtain the dynamic similarity of each sample, we initially use temporal contrast learning module to acquire MTS representations. And then we construct a similarity matrix between MTS representations using Fast Dynamic Time Warping (FastDTW). Secondly, we apply the DPMamba to consider the bidirectional nature of MTS, allowing us to better capture long-range and short-range dependencies within the data. Finally, we utilize the Kolmogorov-Arnold Network enhanced Graph Isomorphism Network to complete the information interaction in the matrix and MTS node classification task. By comprehensively considering the long-range dependencies and dynamic similarity features, we achieved precise MTS node classification. We conducted experiments on multiple University of East Anglia (UEA) MTS datasets, which encompass diverse application scenarios. Our results demonstrate the superiority of our method through both supervised and semi-supervised experiments on the MTS classification task.
comment: We would like to request the withdrawal of our manuscript due to logical errors in the paper
♻ ☆ Implementation and Assessment of Machine Learning Models for Forecasting Suspected Opioid Overdoses in Emergency Medical Services Data
We present efforts in the fields of machine learning and time series forecasting to accurately predict counts of future suspected opioid overdoses recorded by Emergency Medical Services (EMS) in the state of Kentucky. Forecasts help government agencies properly prepare and distribute resources related to opioid overdoses. Our approach uses county and district level aggregations of suspected opioid overdose encounters and forecasts future counts for different time intervals. Models with different levels of complexity were evaluated to minimize forecasting error. A variety of additional covariates relevant to opioid overdoses and public health were tested to determine their impact on model performance. Our evaluation shows that useful predictions can be generated with limited error for different types of regions, and high performance can be achieved using commonly available covariates and relatively simple forecasting models.
♻ ☆ Distributed Deep Reinforcement Learning Based Gradient Quantization for Federated Learning Enabled Vehicle Edge Computing
Federated Learning (FL) can protect the privacy of the vehicles in vehicle edge computing (VEC) to a certain extent through sharing the gradients of vehicles' local models instead of local data. The gradients of vehicles' local models are usually large for the vehicular artificial intelligence (AI) applications, thus transmitting such large gradients would cause large per-round latency. Gradient quantization has been proposed as one effective approach to reduce the per-round latency in FL enabled VEC through compressing gradients and reducing the number of bits, i.e., the quantization level, to transmit gradients. The selection of quantization level and thresholds determines the quantization error, which further affects the model accuracy and training time. To do so, the total training time and quantization error (QE) become two key metrics for the FL enabled VEC. It is critical to jointly optimize the total training time and QE for the FL enabled VEC. However, the time-varying channel condition causes more challenges to solve this problem. In this paper, we propose a distributed deep reinforcement learning (DRL)-based quantization level allocation scheme to optimize the long-term reward in terms of the total training time and QE. Extensive simulations identify the optimal weighted factors between the total training time and QE, and demonstrate the feasibility and effectiveness of the proposed scheme.
comment: This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at: https://github.com/qiongwu86/Distributed-Deep-Reinforcement-Learning-Based-Gradient Quantization-for-Federated-Learning-Enabled-Vehicle-Edge-Computing
♻ ☆ A Bird Song Detector for improving bird identification through Deep Learning: a case study from Doñana
Passive Acoustic Monitoring is a key tool for biodiversity conservation, but the large volumes of unsupervised audio it generates present major challenges for extracting meaningful information. Deep Learning offers promising solutions. BirdNET, a widely used bird identification model, has shown success in many study systems but is limited at local scale due to biases in its training data, which focus on specific locations and target sounds rather than entire soundscapes. A key challenge in bird species identification is that many recordings either lack target species or contain overlapping vocalizations, complicating automatic identification. To address these problems, we developed a multi-stage pipeline for automatic bird vocalization identification in Do\~nana National Park (SW Spain), a wetland of high conservation concern. We deployed AudioMoth recorders in three main habitats across nine locations and manually annotated 461 minutes of audio, resulting in 3749 labeled segments spanning 34 classes. We first applied a Bird Song Detector to isolate bird vocalizations using spectrogram-based image processing. Then, species were classified using custom models trained at the local scale. Applying the Bird Song Detector before classification improved species identification, as all models performed better when analyzing only the segments where birds were detected. Specifically, the combination of detector and fine-tuned BirdNET outperformed the baseline without detection. This approach demonstrates the effectiveness of integrating a Bird Song Detector with local classification models. These findings highlight the need to adapt general-purpose tools to specific ecological challenges. Automatically detecting bird species helps track the health of this threatened ecosystem, given birds sensitivity to environmental change, and supports conservation planning to reduce biodiversity loss.
comment: 23 pages, 14 images, for associated dataset see https://huggingface.co/datasets/GrunCrow/BIRDeep_AudioAnnotations , for associated code see https://github.com/GrunCrow/BIRDeep_BirdSongDetector_NeuralNetworks and https://github.com/GrunCrow/Bird-Song-Detector
♻ ☆ On Zero-Initialized Attention: Optimal Prompt and Gating Factor Estimation ICML 2025
The LLaMA-Adapter has recently emerged as an efficient fine-tuning technique for LLaMA models, leveraging zero-initialized attention to stabilize training and enhance performance. However, despite its empirical success, the theoretical foundations of zero-initialized attention remain largely unexplored. In this paper, we provide a rigorous theoretical analysis, establishing a connection between zero-initialized attention and mixture-of-expert models. We prove that both linear and non-linear prompts, along with gating functions, can be optimally estimated, with non-linear prompts offering greater flexibility for future applications. Empirically, we validate our findings on the open LLM benchmarks, demonstrating that non-linear prompts outperform linear ones. Notably, even with limited training data, both prompt types consistently surpass vanilla attention, highlighting the robustness and adaptability of zero-initialized attention.
comment: Accepted at ICML 2025
♻ ☆ Differentiable and accelerated spherical harmonic and Wigner transforms
Many areas of science and engineering encounter data defined on spherical manifolds. Modelling and analysis of spherical data often necessitates spherical harmonic transforms, at high degrees, and increasingly requires efficient computation of gradients for machine learning or other differentiable programming tasks. We develop novel algorithmic structures for accelerated and differentiable computation of generalised Fourier transforms on the sphere $\mathbb{S}^2$ and rotation group $\text{SO}(3)$, i.e. spherical harmonic and Wigner transforms, respectively. We present a recursive algorithm for the calculation of Wigner $d$-functions that is both stable to high harmonic degrees and extremely parallelisable. By tightly coupling this with separable spherical transforms, we obtain algorithms that exhibit an extremely parallelisable structure that is well-suited for the high throughput computing of modern hardware accelerators (e.g. GPUs). We also develop a hybrid automatic and manual differentiation approach so that gradients can be computed efficiently. Our algorithms are implemented within the JAX differentiable programming framework in the S2FFT software code. Numerous samplings of the sphere are supported, including equiangular and HEALPix sampling. Computational errors are at the order of machine precision for spherical samplings that admit a sampling theorem. When benchmarked against alternative C codes we observe up to a 400-fold acceleration. Furthermore, when distributing over multiple GPUs we achieve very close to optimal linear scaling with increasing number of GPUs due to the highly parallelised and balanced nature of our algorithms. Provided access to sufficiently many GPUs our transforms thus exhibit an unprecedented effective linear time complexity.
comment: 31 pages, 7 figures, accepted by Journal of Computational Physics, code available at https://github.com/astro-informatics/s2fft
♻ ☆ Reconfigurable Intelligent Surface Aided Vehicular Edge Computing: Joint Phase-shift Optimization and Multi-User Power Allocation
Vehicular edge computing (VEC) is an emerging technology with significant potential in the field of internet of vehicles (IoV), enabling vehicles to perform intensive computational tasks locally or offload them to nearby edge devices. However, the quality of communication links may be severely deteriorated due to obstacles such as buildings, impeding the offloading process. To address this challenge, we introduce the use of Reconfigurable Intelligent Surfaces (RIS), which provide alternative communication pathways to assist vehicular communication. By dynamically adjusting the phase-shift of the RIS, the performance of VEC systems can be substantially improved. In this work, we consider a RIS-assisted VEC system, and design an optimal scheme for local execution power, offloading power, and RIS phase-shift, where random task arrivals and channel variations are taken into account. To address the scheme, we propose an innovative deep reinforcement learning (DRL) framework that combines the Deep Deterministic Policy Gradient (DDPG) algorithm for optimizing RIS phase-shift coefficients and the Multi-Agent Deep Deterministic Policy Gradient (MADDPG) algorithm for optimizing the power allocation of vehicle user (VU). Simulation results show that our proposed scheme outperforms the traditional centralized DDPG, Twin Delayed Deep Deterministic Policy Gradient (TD3) and some typical stochastic schemes.
comment: This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at https://github.com/qiongwu86/DDPG-RIS-MADDPG-POWER. arXiv admin note: text overlap with arXiv:2406.11318
♻ ☆ Digital Twin Vehicular Edge Computing Network: Task Offloading and Resource Allocation
With the increasing demand for multiple applications on internet of vehicles. It requires vehicles to carry out multiple computing tasks in real time. However, due to the insufficient computing capability of vehicles themselves, offloading tasks to vehicular edge computing (VEC) servers and allocating computing resources to tasks becomes a challenge. In this paper, a multi task digital twin (DT) VEC network is established. By using DT to develop offloading strategies and resource allocation strategies for multiple tasks of each vehicle in a single slot, an optimization problem is constructed. To solve it, we propose a multi-agent reinforcement learning method on the task offloading and resource allocation. Numerous experiments demonstrate that our method is effective compared to other benchmark algorithms.
comment: This paper has been accepted by ICICSP 2024. The source code has been released at:https://github.com/qiongwu86/Digital-Twin-Vehicular-Edge-Computing-Network_Task-Offloading-and-Resource-Allocation
♻ ☆ A Survey on Semantic Communications in Internet of Vehicles
Internet of Vehicles (IoV), as the core of intelligent transportation system, enables comprehensive interconnection between vehicles and their surroundings through multiple communication modes, which is significant for autonomous driving and intelligent traffic management. However, with the emergence of new applications, traditional communication technologies face the problems of scarce spectrum resources and high latency. Semantic communication, which focuses on extracting, transmitting, and recovering some useful semantic information from messages, can reduce redundant data transmission, improve spectrum utilization, and provide innovative solutions to communication challenges in the IoV. This paper systematically reviews state of art of semantic communications in the IoV, elaborates the technical background of IoV and semantic communications, and deeply discusses key technologies of semantic communications in IoV, including semantic information extraction, semantic communication architecture, resource allocation and management, and so on. Through specific case studies, it demonstrates that semantic communications can be effectively employed in the scenarios of traffic environment perception and understanding, intelligent driving decision support, IoV service optimization, and intelligent traffic management. Additionally, it analyzes the current challenges and future research directions. This survey reveals that semantic communications has broad application prospects in IoV, but it is necessary to solve the real existing problems by combining advanced technologies to promote its wide application in IoV and contributing to the development of intelligent transportation system.
comment: This paper has been accepted to Entropy
♻ ☆ CORA: Coalitional Rational Advantage Decomposition for Multi-Agent Policy Gradients
This work focuses on the credit assignment problem in cooperative multi-agent reinforcement learning (MARL). Sharing the global advantage among agents often leads to suboptimal policy updates as it fails to account for the distinct contributions of agents. Although numerous methods consider global or individual contributions for credit assignment, a detailed analysis at the coalition level remains lacking in many approaches. This work analyzes the over-updating problem during multi-agent policy updates from a coalition-level perspective. To address this issue, we propose a credit assignment method called Coalitional Rational Advantage Decomposition (CORA). CORA evaluates coalitional advantages via marginal contributions from all possible coalitions and decomposes advantages using the core solution from cooperative game theory, ensuring coalitional rationality. To reduce computational overhead, CORA employs random coalition sampling. Experiments on matrix games, differential games, and multi-agent collaboration benchmarks demonstrate that CORA outperforms strong baselines, particularly in tasks with multiple local optima. These findings highlight the importance of coalition-aware credit assignment for improving MARL performance.
♻ ☆ Graph Neural Networks for Jamming Source Localization
Graph-based learning provides a powerful framework for modeling complex relational structures; however, its application within the domain of wireless security remains significantly underexplored. In this work, we introduce the first application of graph-based learning for jamming source localization, addressing the imminent threat of jamming attacks in wireless networks. Unlike geometric optimization techniques that struggle under environmental uncertainties and dense interference, we reformulate the localization as an inductive graph regression task. Our approach integrates structured node representations that encode local and global signal aggregation, ensuring spatial coherence and adaptive signal fusion. To enhance robustness, we incorporate an attention-based \ac{GNN} that adaptively refines neighborhood influence and introduces a confidence-guided estimation mechanism that dynamically balances learned predictions with domain-informed priors. We evaluate our approach under complex \ac{RF} environments with various sampling densities, network topologies, jammer characteristics, and signal propagation conditions, conducting comprehensive ablation studies on graph construction, feature selection, and pooling strategies. Results demonstrate that our novel graph-based learning framework significantly outperforms established localization baselines, particularly in challenging scenarios with sparse and obfuscated signal information. Our code is available at https://github.com/tiiuae/gnn-jamming-source-localization.
♻ ☆ MAD-MAX: Modular And Diverse Malicious Attack MiXtures for Automated LLM Red Teaming ICML 2025
With LLM usage rapidly increasing, their vulnerability to jailbreaks that create harmful outputs are a major security risk. As new jailbreaking strategies emerge and models are changed by fine-tuning, continuous testing for security vulnerabilities is necessary. Existing Red Teaming methods fall short in cost efficiency, attack success rate, attack diversity, or extensibility as new attack types emerge. We address these challenges with Modular And Diverse Malicious Attack MiXtures (MAD-MAX) for Automated LLM Red Teaming. MAD-MAX uses automatic assignment of attack strategies into relevant attack clusters, chooses the most relevant clusters for a malicious goal, and then combines strategies from the selected clusters to achieve diverse novel attacks with high attack success rates. MAD-MAX further merges promising attacks together at each iteration of Red Teaming to boost performance and introduces a similarity filter to prune out similar attacks for increased cost efficiency. The MAD-MAX approach is designed to be easily extensible with newly discovered attack strategies and outperforms the prominent Red Teaming method Tree of Attacks with Pruning (TAP) significantly in terms of Attack Success Rate (ASR) and queries needed to achieve jailbreaks. MAD-MAX jailbreaks 97% of malicious goals in our benchmarks on GPT-4o and Gemini-Pro compared to TAP with 66%. MAD-MAX does so with only 10.9 average queries to the target LLM compared to TAP with 23.3. WARNING: This paper contains contents which are offensive in nature.
comment: Data in Generative Models Workshop: The Bad, the Ugly, and the Greats (DIG-BUGS) at ICML 2025
♻ ☆ Benchmarking Neural Network Training Algorithms
Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.
comment: 102 pages, 8 figures, 41 tables
♻ ☆ Imagine Beyond! Distributionally Robust Auto-Encoding for State Space Coverage in Online Reinforcement Learning
Goal-Conditioned Reinforcement Learning (GCRL) enables agents to autonomously acquire diverse behaviors, but faces major challenges in visual environments due to high-dimensional, semantically sparse observations. In the online setting, where agents learn representations while exploring, the latent space evolves with the agent's policy, to capture newly discovered areas of the environment. However, without incentivization to maximize state coverage in the representation, classical approaches based on auto-encoders may converge to latent spaces that over-represent a restricted set of states frequently visited by the agent. This is exacerbated in an intrinsic motivation setting, where the agent uses the distribution encoded in the latent space to sample the goals it learns to master. To address this issue, we propose to progressively enforce distributional shifts towards a uniform distribution over the full state space, to ensure a full coverage of skills that can be learned in the environment. We introduce DRAG (Distributionally Robust Auto-Encoding for GCRL), a method that combines the $\beta$-VAE framework with Distributionally Robust Optimization. DRAG leverages an adversarial neural weighter of training states of the VAE, to account for the mismatch between the current data distribution and unseen parts of the environment. This allows the agent to construct semantically meaningful latent spaces beyond its immediate experience. Our approach improves state space coverage and downstream control performance on hard exploration environments such as mazes and robotic control involving walls to bypass, without pre-training nor prior environment knowledge.
♻ ☆ Agile Orchestration at Will: An Entire Smart Service-Based Security Architecture Towards 6G
The upcoming 6G will fundamentally reshape mobile networks beyond communications, unlocking a multitude of applications that were once considered unimaginable. Meanwhile, security and resilience are especially highlighted in the 6G design principles. However, safeguarding 6G networks will be quite challenging due to various known and unknown threats from highly heterogeneous networks and diversified security requirements of distinct use cases, calling for a comprehensive re-design of security architecture. This motivates us to propose ES3A (Entire Smart Service-based Security Architecture), a novel security architecture for 6G networks. Specifically, we first discuss six high-level principles of our ES3A that include hierarchy, flexibility, scalability, resilience, endogeny, and trust and privacy. With these goals in mind, we then introduce three guidelines from a deployment perspective, envisioning our ES3A that offers service-based security, end-to-end protection, and smart security automation for 6G networks. Our architecture consists of three layers and three domains. It relies on a two-stage orchestration mechanism to tailor smart security strategies for customized protection in high-dynamic 6G networks, thereby addressing the aforementioned challenges. Finally, we prototype the proposed ES3A on a real-world radio system based on Software-Defined Radio (SDR). Experiments show the effectiveness of our ES3A. We also provide a case to show the superiority of our architecture.
comment: Accepted by IEEE Wireless Communications Magazine
♻ ☆ Hybrid Quantum-inspired Resnet and Densenet for Pattern Recognition
In this paper, we propose two hybrid quantum-inspired neural networks with adaptive residual and dense connections respectively for pattern recognition. We explain the frameworks of the symmetrical circuit models in the quantum-inspired layers in our hybrid models. We also illustrate the potential superiority of our hybrid models to prevent gradient explosion owing to the sine and cosine functions in the quantum-inspired layers. Groups of numerical experiments on generalization power showcase that our hybrid models are comparable to the pure classical models with different noisy datasets utilized. Furthermore, the comparison between our hybrid models and a state-of-the-art hybrid quantum-classical convolutional network demonstrates 3%-4% higher accuracy of our hybrid densely-connected model than the hybrid quantum-classical network. Additionally, compared with other two hybrid quantum-inspired residual networks, our hybrid models showcase a little higher accuracy on image datasets with asymmetrical noises. Simultaneously, in terms of groups of robustness experiments, the outcomes demonstrate that our two hybrid models outperform pure classical models notably in resistance to adversarial parameter attacks with various asymmetrical noises. They also indicate the slight superiority of our densely-connected hybrid model over the hybrid quantum-classical network to both symmetrical and asymmetrical attacks. Meanwhile, the accuracy of our two hybrid models is a little bit higher than that of the two hybrid quantum-inspired residual networks. In addition, an ablation study indicate that the recognition accuracy of our two hybrid models is 2%-3% higher than that of the traditional quantum-inspired neural network without residual or dense connection. Eventually, we discuss the application scenarios of our hybrid models by analyzing their computational complexity.
comment: 21 pages of main paper with two links of a 20-page supplementary material and the program codes below the acknowledgement in the main paper
♻ ☆ PAODING: A High-fidelity Data-free Pruning Toolkit for Debloating Pre-trained Neural Networks
We present PAODING, a toolkit to debloat pretrained neural network models through the lens of data-free pruning. To preserve the model fidelity, PAODING adopts an iterative process, which dynamically measures the effect of deleting a neuron to identify candidates that have the least impact to the output layer. Our evaluation shows that PAODING can significantly reduce the model size, generalize on different datasets and models, and meanwhile preserve the model fidelity in terms of test accuracy and adversarial robustness. PAODING is publicly available on PyPI via https://pypi.org/project/paoding-dl.
comment: 3 pages
♻ ☆ The OCR Quest for Generalization: Learning to recognize low-resource alphabets with model editing
Achieving robustness in recognition systems across diverse domains is crucial for their practical utility. While ample data availability is usually assumed, low-resource languages, such as ancient manuscripts and non-western languages, tend to be kept out of the equations of massive pretraining and foundational techniques due to an under representation. In this work, we aim for building models which can generalize to new distributions of data, such as alphabets, faster than centralized fine-tune strategies. For doing so, we take advantage of the recent advancements in model editing to enhance the incorporation of unseen scripts (low-resource learning). In contrast to state-of-the-art meta-learning, we showcase the effectiveness of domain merging in sparse distributions of data, with agnosticity of its relation to the overall distribution or any other prototyping necessity. Even when using the same exact training data, our experiments showcase significant performance boosts in \textbf{transfer learning} to new alphabets and \textbf{out-of-domain evaluation} in challenging domain shifts, including historical ciphered texts and non-Latin scripts. This research contributes a novel approach into building models that can easily adopt under-represented alphabets and, therefore, enable document recognition to a wider set of contexts and cultures.
comment: Preprint (under review) For Journal
♻ ☆ Supervised Robustness-preserving Data-free Neural Network Pruning
When deploying pre-trained neural network models in real-world applications, model consumers often encounter resource-constraint platforms such as mobile and smart devices. They typically use the pruning technique to reduce the size and complexity of the model, generating a lighter one with less resource consumption. Nonetheless, most existing pruning methods are proposed with the premise that the model after being pruned has a chance to be fine-tuned or even retrained based on the original training data. This may be unrealistic in practice, as the data controllers are often reluctant to provide their model consumers with the original data. In this work, we study the neural network pruning in the data-free context, aiming to yield lightweight models that are not only accurate in prediction but also robust against undesired inputs in open-world deployments. Considering the absence of the fine-tuning and retraining that can fix the mis-pruned units, we replace the traditional aggressive one-shot strategy with a conservative one that treats the pruning as a progressive process. We propose a pruning method based on stochastic optimization that uses robustness-related metrics to guide the pruning process. Our method is implemented as a Python program and evaluated with a series of experiments on diverse neural network models. The experimental results show that it significantly outperforms existing one-shot data-free pruning approaches in terms of robustness preservation and accuracy.
comment: 10 pages
♻ ☆ CEReBrO: Compact Encoder for Representations of Brain Oscillations Using Efficient Alternating Attention
Electroencephalograph (EEG) is a crucial tool for studying brain activity. Recently, self-supervised learning methods leveraging large unlabeled datasets have emerged as a potential solution to the scarcity of widely available annotated EEG data. However, current methods suffer from at least one of the following limitations: i) sub-optimal EEG signal modeling, ii) model sizes in the hundreds of millions of trainable parameters, and iii) reliance on private datasets and/or inconsistent public benchmarks, hindering reproducibility. To address these challenges, we introduce a Compact Encoder for Representations of Brain Oscillations using alternating attention (CEReBrO), a new small EEG foundation model. Our tokenization scheme represents EEG signals at a per-channel patch granularity. We propose an alternating attention mechanism that jointly models intra-channel temporal dynamics and inter-channel spatial correlations, achieving 2x speed improvement with 6x less memory required compared to standard self-attention. We present several model sizes ranging from 3.6 million to 85 million parameters. Pre-trained on over 20,000 hours of publicly available scalp EEG recordings with diverse channel configurations, our models set new benchmarks in emotion detection and seizure detection tasks, with competitive performance in anomaly classification and gait prediction. This validates our models' effectiveness and efficiency.
♻ ☆ Serving Large Language Models on Huawei CloudMatrix384
The rapid evolution of large language models (LLMs), driven by growing parameter scales, adoption of mixture-of-experts (MoE) architectures, and expanding context lengths, imposes unprecedented demands on AI infrastructure. Traditional AI clusters face limitations in compute intensity, memory bandwidth, inter-chip communication, and latency, compounded by variable workloads and strict service-level objectives. Addressing these issues requires fundamentally redesigned hardware-software integration. This paper introduces Huawei CloudMatrix, a next-generation AI datacenter architecture, realized in the production-grade CloudMatrix384 supernode. It integrates 384 Ascend 910C NPUs and 192 Kunpeng CPUs interconnected via an ultra-high-bandwidth Unified Bus (UB) network, enabling direct all-to-all communication and dynamic pooling of resources. These features optimize performance for communication-intensive operations, such as large-scale MoE expert parallelism and distributed key-value cache access. To fully leverage CloudMatrix384, we propose CloudMatrix-Infer, an advanced LLM serving solution incorporating three core innovations: a peer-to-peer serving architecture that independently scales prefill, decode, and caching; a large-scale expert parallelism strategy supporting EP320 via efficient UB-based token dispatch; and hardware-aware optimizations including specialized operators, microbatch-based pipelining, and INT8 quantization. Evaluation with the DeepSeek-R1 model shows CloudMatrix-Infer achieves state-of-the-art efficiency: prefill throughput of 6,688 tokens/s per NPU and decode throughput of 1,943 tokens/s per NPU (<50 ms TPOT). It effectively balances throughput and latency, sustaining 538 tokens/s per NPU even under stringent 15 ms latency constraints, while INT8 quantization maintains model accuracy across benchmarks.
comment: 59 pages, 24 figures
♻ ☆ Free Privacy Protection for Wireless Federated Learning: Enjoy It or Suffer from It?
Inherent communication noises have the potential to preserve privacy for wireless federated learning (WFL) but have been overlooked in digital communication systems predominantly using floating-point number standards, e.g., IEEE 754, for data storage and transmission. This is due to the potentially catastrophic consequences of bit errors in floating-point numbers, e.g., on the sign or exponent bits. This paper presents a novel channel-native bit-flipping differential privacy (DP) mechanism tailored for WFL, where transmit bits are randomly flipped and communication noises are leveraged, to collectively preserve the privacy of WFL in digital communication systems. The key idea is to interpret the bit perturbation at the transmitter and bit errors caused by communication noises as a bit-flipping DP process. This is achieved by designing a new floating-point-to-fixed-point conversion method that only transmits the bits in the fraction part of model parameters, hence eliminating the need for transmitting the sign and exponent bits and preventing the catastrophic consequence of bit errors. We analyze a new metric to measure the bit-level distance of the model parameters and prove that the proposed mechanism satisfies (\lambda,\epsilon)-R\'enyi DP and does not violate the WFL convergence. Experiments validate privacy and convergence analysis of the proposed mechanism and demonstrate its superiority to the state-of-the-art Gaussian mechanisms that are channel-agnostic and add Gaussian noise for privacy protection.
comment: 16 pages, 8 figures, accepted by IEEE Transactions on Information Forensics and Security
♻ ☆ EnergyDiff: Universal Time-Series Energy Data Generation using Diffusion Models
High-resolution time series data are crucial for the operation and planning of energy systems such as electrical power systems and heating systems. Such data often cannot be shared due to privacy concerns, necessitating the use of synthetic data. However, high-resolution time series data is difficult to model due to its inherent high dimensionality and complex temporal dependencies. Leveraging the recent development of generative AI, especially diffusion models, we propose EnergyDiff, a universal data generation framework for energy time series data. EnergyDiff builds on state-of-the-art denoising diffusion probabilistic models, utilizing a proposed denoising network dedicated to high-resolution time series data and introducing a novel Marginal Calibration technique. Our extensive experimental results demonstrate that EnergyDiff achieves significant improvement in capturing the temporal dependencies and marginal distributions compared to baselines, particularly at the 1-minute resolution. EnergyDiff's universality is validated across diverse energy domains (e.g., electricity demand, heat pump, PV, multiple time resolutions (1 minute, 15 minutes, 30 minutes and 1 hour), and at both customer and transformer levels.
comment: 15 pages
♻ ☆ Simulating Non-Markovian Open Quantum Dynamics with Neural Quantum States
Reducing computational scaling for simulating non-Markovian dissipative dynamics using artificial neural networks is both a major focus and formidable challenge in open quantum systems. To enable neural quantum states (NQSs), we encode environmental memory in dissipatons (quasiparticles with characteristic lifetimes), yielding the dissipaton-embedded quantum master equation (DQME). The resulting NQS-DQME framework achieves compact representation of many-body correlations and non-Markovian memory. Benchmarking against numerically exact hierarchical equations of motion confirms NQS-DQME maintains comparable accuracy while enhancing scalability and interpretability. This methodology opens new paths to explore non-Markovian open quantum dynamics in previously intractable systems.
comment: 7 pages, 5 figures
♻ ☆ Oscillatory State-Space Models ICLR 2025
We propose Linear Oscillatory State-Space models (LinOSS) for efficiently learning on long sequences. Inspired by cortical dynamics of biological neural networks, we base our proposed LinOSS model on a system of forced harmonic oscillators. A stable discretization, integrated over time using fast associative parallel scans, yields the proposed state-space model. We prove that LinOSS produces stable dynamics only requiring nonnegative diagonal state matrix. This is in stark contrast to many previous state-space models relying heavily on restrictive parameterizations. Moreover, we rigorously show that LinOSS is universal, i.e., it can approximate any continuous and causal operator mapping between time-varying functions, to desired accuracy. In addition, we show that an implicit-explicit discretization of LinOSS perfectly conserves the symmetry of time reversibility of the underlying dynamics. Together, these properties enable efficient modeling of long-range interactions, while ensuring stable and accurate long-horizon forecasting. Finally, our empirical results, spanning a wide range of time-series tasks from mid-range to very long-range classification and regression, as well as long-horizon forecasting, demonstrate that our proposed LinOSS model consistently outperforms state-of-the-art sequence models. Notably, LinOSS outperforms Mamba and LRU by nearly 2x on a sequence modeling task with sequences of length 50k.
comment: ICLR 2025 (Oral)
♻ ☆ MENSA: A Multi-Event Network for Survival Analysis with Trajectory-based Likelihood Estimation
We introduce MENSA, a novel deep learning model for multi-event survival analysis, which predicts the time until an instance experiences multiple distinct events based on its features. MENSA learns a shared representation of the input features while capturing the complex dependence structures between events. In practice, it optimizes the sum of the traditional negative log-likelihood across events and a novel trajectory-based likelihood, which encourages the model to learn the temporal order in which events occur. Experiments on real-world clinical datasets demonstrate that MENSA improves risk and time-to-event prediction compared to state-of-the-art models across single-event, competing-risk, and multi-event settings. Moreover, MENSA achieves this with fewer parameters and lower computational cost (FLOPs) than several deep learning baselines, particularly in high-dimensional feature spaces (more than 100 features).
♻ ☆ Convergence analysis of controlled particle systems arising in deep learning: from finite to infinite sample size
This paper deals with a class of neural SDEs and studies the limiting behavior of the associated sampled optimal control problems as the sample size grows to infinity. The neural SDEs with $N$ samples can be linked to the $N$-particle systems with centralized control. We analyze the Hamilton-Jacobi-Bellman equation corresponding to the $N$-particle system and establish regularity results which are uniform in $N$. The uniform regularity estimates are obtained by the stochastic maximum principle and the analysis of a backward stochastic Riccati equation. Using these uniform regularity results, we show the convergence of the minima of the objective functionals and optimal parameters of the neural SDEs as the sample size $N$ tends to infinity. The limiting objects can be identified with suitable functions defined on the Wasserstein space of Borel probability measures. Furthermore, quantitative convergence rates are also obtained.
comment: 46 pages
♻ ☆ DRL-Based Resource Allocation for Motion Blur Resistant Federated Self-Supervised Learning in IoV
In the Internet of Vehicles (IoV), Federated Learning (FL) provides a privacy-preserving solution by aggregating local models without sharing data. Traditional supervised learning requires image data with labels, but data labeling involves significant manual effort. Federated Self-Supervised Learning (FSSL) utilizes Self-Supervised Learning (SSL) for local training in FL, eliminating the need for labels while protecting privacy. Compared to other SSL methods, Momentum Contrast (MoCo) reduces the demand for computing resources and storage space by creating a dictionary. However, using MoCo in FSSL requires uploading the local dictionary from vehicles to Base Station (BS), which poses a risk of privacy leakage. Simplified Contrast (SimCo) addresses the privacy leakage issue in MoCo-based FSSL by using dual temperature instead of a dictionary to control sample distribution. Additionally, considering the negative impact of motion blur on model aggregation, and based on SimCo, we propose a motion blur-resistant FSSL method, referred to as BFSSL. Furthermore, we address energy consumption and delay in the BFSSL process by proposing a Deep Reinforcement Learning (DRL)-based resource allocation scheme, called DRL-BFSSL. In this scheme, BS allocates the Central Processing Unit (CPU) frequency and transmission power of vehicles to minimize energy consumption and latency, while aggregating received models based on the motion blur level. Simulation results validate the effectiveness of our proposed aggregation and resource allocation methods.
comment: This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at: https://github.com/qiongwu86/DRL-BFSSL
♻ ☆ DRL-Based Optimization for AoI and Energy Consumption in C-V2X Enabled IoV
To address communication latency issues, the Third Generation Partnership Project (3GPP) has defined Cellular-Vehicle to Everything (C-V2X) technology, which includes Vehicle-to-Vehicle (V2V) communication for direct vehicle-to-vehicle communication. However, this method requires vehicles to autonomously select communication resources based on the Semi-Persistent Scheduling (SPS) protocol, which may lead to collisions due to different vehicles sharing the same communication resources, thereby affecting communication effectiveness. Non-Orthogonal Multiple Access (NOMA) is considered a potential solution for handling large-scale vehicle communication, as it can enhance the Signal-to-Interference-plus-Noise Ratio (SINR) by employing Successive Interference Cancellation (SIC), thereby reducing the negative impact of communication collisions. When evaluating vehicle communication performance, traditional metrics such as reliability and transmission delay present certain contradictions. Introducing the new metric Age of Information (AoI) provides a more comprehensive evaluation of communication system. Additionally, to ensure service quality, user terminals need to possess high computational capabilities, which may lead to increased energy consumption, necessitating a trade-off between communication energy consumption and effectiveness. Given the complexity and dynamics of communication systems, Deep Reinforcement Learning (DRL) serves as an intelligent learning method capable of learning optimal strategies in dynamic environments. Therefore, this paper analyzes the effects of multi-priority queues and NOMA on AoI in the C-V2X vehicular communication system and proposes an energy consumption and AoI optimization method based on DRL. Finally, through comparative simulations with baseline methods, the proposed approach demonstrates its advances in terms of energy consumption and AoI.
comment: This paper has been accepted by IEEE Transactions on Green Communications and Networking. The source code has been released at: https://github.com/qiongwu86/DRL-Based-Optimization-for-Information-of-Age-and-Energy-Consumption-in-C-V2X-Enabled-IoV
♻ ☆ Trust Region Preference Approximation: A simple and stable reinforcement learning algorithm for LLM reasoning
Recently, Large Language Models (LLMs) have rapidly evolved, approaching Artificial General Intelligence (AGI) while benefiting from large-scale reinforcement learning to enhance Human Alignment (HA) and Reasoning. Recent reward-based optimization algorithms, such as Proximal Policy Optimization (PPO) and Group Relative Policy Optimization (GRPO) have achieved significant performance on reasoning tasks, whereas preference-based optimization algorithms such as Direct Preference Optimization (DPO) significantly improve the performance of LLMs on human alignment. However, despite the strong performance of reward-based optimization methods in alignment tasks , they remain vulnerable to reward hacking. Furthermore, preference-based algorithms (such as Online DPO) haven't yet matched the performance of reward-based optimization algorithms (like PPO) on reasoning tasks, making their exploration in this specific area still a worthwhile pursuit. Motivated by these challenges, we propose the Trust Region Preference Approximation (TRPA) algorithm, which integrates rule-based optimization with preference-based optimization for reasoning tasks. As a preference-based algorithm, TRPA naturally eliminates the reward hacking issue. TRPA constructs preference levels using predefined rules, forms corresponding preference pairs, and leverages a novel optimization algorithm for RL training with a theoretical monotonic improvement guarantee. Experimental results demonstrate that TRPA not only achieves competitive performance on reasoning tasks but also exhibits robust stability. The code of this paper are released and updating on https://github.com/XueruiSu/Trust-Region-Preference-Approximation.git.
comment: 10pages
♻ ☆ Accurate and scalable exchange-correlation with deep learning
Density Functional Theory (DFT) is the most widely used electronic structure method for predicting the properties of molecules and materials. Although DFT is, in principle, an exact reformulation of the Schr\"odinger equation, practical applications rely on approximations to the unknown exchange-correlation (XC) functional. Most existing XC functionals are constructed using a limited set of increasingly complex, hand-crafted features that improve accuracy at the expense of computational efficiency. Yet, no current approximation achieves the accuracy and generality for predictive modeling of laboratory experiments at chemical accuracy -- typically defined as errors below 1 kcal/mol. In this work, we present Skala, a modern deep learning-based XC functional that bypasses expensive hand-designed features by learning representations directly from data. Skala achieves chemical accuracy for atomization energies of small molecules while retaining the computational efficiency typical of semi-local DFT. This performance is enabled by training on an unprecedented volume of high-accuracy reference data generated using computationally intensive wavefunction-based methods. Notably, Skala systematically improves with additional training data covering diverse chemistry. By incorporating a modest amount of additional high-accuracy data tailored to chemistry beyond atomization energies, Skala achieves accuracy competitive with the best-performing hybrid functionals across general main group chemistry, at the cost of semi-local DFT. As the training dataset continues to expand, Skala is poised to further enhance the predictive power of first-principles simulations.
comment: Main: 13 pages plus references, 11 figures and tables. Supplementary information: 19 pages, 12 figures and tables. v2 update: fix rendering of figure 1 and part of figure 5 in Safari PDF viewer
♻ ☆ FLARE: Towards Universal Dataset Purification against Backdoor Attacks
Deep neural networks (DNNs) are susceptible to backdoor attacks, where adversaries poison datasets with adversary-specified triggers to implant hidden backdoors, enabling malicious manipulation of model predictions. Dataset purification serves as a proactive defense by removing malicious training samples to prevent backdoor injection at its source. We first reveal that the current advanced purification methods rely on a latent assumption that the backdoor connections between triggers and target labels in backdoor attacks are simpler to learn than the benign features. We demonstrate that this assumption, however, does not always hold, especially in all-to-all (A2A) and untargeted (UT) attacks. As a result, purification methods that analyze the separation between the poisoned and benign samples in the input-output space or the final hidden layer space are less effective. We observe that this separability is not confined to a single layer but varies across different hidden layers. Motivated by this understanding, we propose FLARE, a universal purification method to counter various backdoor attacks. FLARE aggregates abnormal activations from all hidden layers to construct representations for clustering. To enhance separation, FLARE develops an adaptive subspace selection algorithm to isolate the optimal space for dividing an entire dataset into two clusters. FLARE assesses the stability of each cluster and identifies the cluster with higher stability as poisoned. Extensive evaluations on benchmark datasets demonstrate the effectiveness of FLARE against 22 representative backdoor attacks, including all-to-one (A2O), all-to-all (A2A), and untargeted (UT) attacks, and its robustness to adaptive attacks. Codes are available at \href{https://github.com/THUYimingLi/BackdoorBox}{BackdoorBox} and \href{https://github.com/vtu81/backdoor-toolbox}{backdoor-toolbox}.
comment: 15 pages, This paper is accepted and will appear in TIFS (CCF-A)
♻ ☆ Influential Bandits: Pulling an Arm May Change the Environment
While classical formulations of multi-armed bandit problems assume that each arm's reward is independent and stationary, real-world applications often involve non-stationary environments and interdependencies between arms. In particular, selecting one arm may influence the future rewards of other arms, a scenario not adequately captured by existing models such as rotting bandits or restless bandits. To address this limitation, we propose the influential bandit problem, which models inter-arm interactions through an unknown, symmetric, positive semi-definite interaction matrix that governs the dynamics of arm losses. We formally define this problem and establish two regret lower bounds, including a superlinear $\Omega(T^2 / \log^2 T)$ bound for the standard LCB algorithm (loss minimization version of UCB) and an algorithm-independent $\Omega(T)$ bound, which highlight the inherent difficulty of the setting. We then introduce a new algorithm based on a lower confidence bound (LCB) estimator tailored to the structure of the loss dynamics. Under mild assumptions, our algorithm achieves a regret of $O(KT \log T)$, which is nearly optimal in terms of its dependence on the time horizon. The algorithm is simple to implement and computationally efficient. Empirical evaluations on both synthetic and real-world datasets demonstrate the presence of inter-arm influence and confirm the superior performance of our method compared to conventional bandit algorithms.
comment: TMLR
♻ ☆ From Data-Driven to Purpose-Driven Artificial Intelligence: Systems Thinking for Data-Analytic Automation of Patient Care
In this work, we reflect on the data-driven modeling paradigm that is gaining ground in AI-driven automation of patient care. We argue that the repurposing of existing real-world patient datasets for machine learning may not always represent an optimal approach to model development as it could lead to undesirable outcomes in patient care. We reflect on the history of data analysis to explain how the data-driven paradigm rose to popularity, and we envision ways in which systems thinking and clinical domain theory could complement the existing model development approaches in reaching human-centric outcomes. We call for a purpose-driven machine learning paradigm that is grounded in clinical theory and the sociotechnical realities of real-world operational contexts. We argue that understanding the utility of existing patient datasets requires looking in two directions: upstream towards the data generation, and downstream towards the automation objectives. This purpose-driven perspective to AI system development opens up new methodological opportunities and holds promise for AI automation of patient care.
comment: The work is under review at ACM Health
♻ ☆ Single-Agent vs. Multi-Agent LLM Strategies for Automated Student Reflection Assessment KDD 2025
We explore the use of Large Language Models (LLMs) for automated assessment of open-text student reflections and prediction of academic performance. Traditional methods for evaluating reflections are time-consuming and may not scale effectively in educational settings. In this work, we employ LLMs to transform student reflections into quantitative scores using two assessment strategies (single-agent and multi-agent) and two prompting techniques (zero-shot and few-shot). Our experiments, conducted on a dataset of 5,278 reflections from 377 students over three academic terms, demonstrate that the single-agent with few-shot strategy achieves the highest match rate with human evaluations. Furthermore, models utilizing LLM-assessed reflection scores outperform baselines in both at-risk student identification and grade prediction tasks. These findings suggest that LLMs can effectively automate reflection assessment, reduce educators' workload, and enable timely support for students who may need additional assistance. Our work emphasizes the potential of integrating advanced generative AI technologies into educational practices to enhance student engagement and academic success.
comment: Published in Proceedings of the 29th Pacific-Asia Conference on Knowledge Discovery and Data Mining (PAKDD 2025), see https://doi.org/10.1007/978-981-96-8186-0_24
♻ ☆ Advancing oncology with federated learning: transcending boundaries in breast, lung, and prostate cancer. A systematic review
Federated Learning (FL) has emerged as a promising solution to address the limitations of centralised machine learning (ML) in oncology, particularly in overcoming privacy concerns and harnessing the power of diverse, multi-center data. This systematic review synthesises current knowledge on the state-of-the-art FL in oncology, focusing on breast, lung, and prostate cancer. Distinct from previous surveys, our comprehensive review critically evaluates the real-world implementation and impact of FL on cancer care, demonstrating its effectiveness in enhancing ML generalisability, performance and data privacy in clinical settings and data. We evaluated state-of-the-art advances in FL, demonstrating its growing adoption amid tightening data privacy regulations. FL outperformed centralised ML in 15 out of the 25 studies reviewed, spanning diverse ML models and clinical applications, and facilitating integration of multi-modal information for precision medicine. Despite the current challenges identified in reproducibility, standardisation and methodology across studies, the demonstrable benefits of FL in harnessing real-world data and addressing clinical needs highlight its significant potential for advancing cancer research. We propose that future research should focus on addressing these limitations and investigating further advanced FL methods, to fully harness data diversity and realise the transformative power of cutting-edge FL in cancer care.
comment: 5 Figures, 3 Tables, 1 Supplementary Table
♻ ☆ Simulating Diffusion Bridges with Score Matching
We consider the problem of simulating diffusion bridges, which are diffusion processes that are conditioned to initialize and terminate at two given states. The simulation of diffusion bridges has applications in diverse scientific fields and plays a crucial role in the statistical inference of discretely-observed diffusions. This is known to be a challenging problem that has received much attention in the last two decades. This article contributes to this rich body of literature by presenting a new avenue to obtain diffusion bridge approximations. Our approach is based on a backward time representation of a diffusion bridge, which may be simulated if one can time-reverse the unconditioned diffusion. We introduce a variational formulation to learn this time-reversal with function approximation and rely on a score matching method to circumvent intractability. Another iteration of our proposed methodology approximates the Doob's $h$-transform defining the forward time representation of a diffusion bridge. We discuss algorithmic considerations and extensions, and present numerical results on an Ornstein--Uhlenbeck process, a model from financial econometrics for interest rates, and a model from genetics for cell differentiation and development to illustrate the effectiveness of our approach.
comment: Revised
♻ ☆ Map Space Belief Prediction for Manipulation-Enhanced Mapping
Searching for objects in cluttered environments requires selecting efficient viewpoints and manipulation actions to remove occlusions and reduce uncertainty in object locations, shapes, and categories. In this work, we address the problem of manipulation-enhanced semantic mapping, where a robot has to efficiently identify all objects in a cluttered shelf. Although Partially Observable Markov Decision Processes~(POMDPs) are standard for decision-making under uncertainty, representing unstructured interactive worlds remains challenging in this formalism. To tackle this, we define a POMDP whose belief is summarized by a metric-semantic grid map and propose a novel framework that uses neural networks to perform map-space belief updates to reason efficiently and simultaneously about object geometries, locations, categories, occlusions, and manipulation physics. Further, to enable accurate information gain analysis, the learned belief updates should maintain calibrated estimates of uncertainty. Therefore, we propose Calibrated Neural-Accelerated Belief Updates (CNABUs) to learn a belief propagation model that generalizes to novel scenarios and provides confidence-calibrated predictions for unknown areas. Our experiments show that our novel POMDP planner improves map completeness and accuracy over existing methods in challenging simulations and successfully transfers to real-world cluttered shelves in zero-shot fashion.
comment: 14 pages, 10 figures; Published at RSS 2025 - this version contains a small fix to figure 6 which was missing a plot in the original submission
♻ ☆ A Second-Order Majorant Algorithm for Nonnegative Matrix Factorization
Nonnegative Matrix Factorization (NMF) is a fundamental tool in unsupervised learning, widely used for tasks such as dimensionality reduction, feature extraction, representation learning, and topic modeling. Many algorithms have been developed for NMF, including the well-known Multiplicative Updates (MU) algorithm, which belongs to a broader class of majorization-minimization techniques. In this work, we introduce a general second-order optimization framework for NMF under both quadratic and $\beta$-divergence loss functions. This approach, called Second-Order Majorant (SOM), constructs a local quadratic majorization of the loss function by majorizing its Hessian matrix. It includes MU as a special case, while enabling faster variants. In particular, we propose mSOM, a new algorithm within this class that leverages a tighter local approximation to accelerate convergence. We provide a convergence analysis, showing linear convergence for individual factor updates and global convergence to a stationary point for the alternating version, AmSOM algorithm. Numerical experiments on both synthetic and real data sets demonstrate that mSOM consistently outperforms state-of-the-art algorithms across multiple loss functions.
comment: Updated version in JMLR style. This version matches the manuscript currently under review at JMLR and includes substantial improvements over the original arXiv version
♻ ☆ On Finding Small Hyper-Gradients in Bilevel Optimization: Hardness Results and Improved Analysis
Bilevel optimization reveals the inner structure of otherwise oblique optimization problems, such as hyperparameter tuning, neural architecture search, and meta-learning. A common goal in bilevel optimization is to minimize a hyper-objective that implicitly depends on the solution set of the lower-level function. Although this hyper-objective approach is widely used, its theoretical properties have not been thoroughly investigated in cases where the lower-level functions lack strong convexity. In this work, we first provide hardness results to show that the goal of finding stationary points of the hyper-objective for nonconvex-convex bilevel optimization can be intractable for zero-respecting algorithms. Then we study a class of tractable nonconvex-nonconvex bilevel problems when the lower-level function satisfies the Polyak-{\L}ojasiewicz (PL) condition. We show a simple first-order algorithm can achieve better complexity bounds of $\tilde{\mathcal{O}}(\epsilon^{-2})$, $\tilde{\mathcal{O}}(\epsilon^{-4})$ and $\tilde{\mathcal{O}}(\epsilon^{-6})$ in the deterministic, partially stochastic, and fully stochastic setting respectively. The complexities in the first two cases are optimal up to logarithmic factors.
comment: Published in COLT 2024. This arXiv version refines Assumption 4.1 (d); adds discussions on related works in Appendix A; and corrects the kappa dependency in the upper bounds
♻ ☆ Task-Aware Virtual Training: Enhancing Generalization in Meta-Reinforcement Learning for Out-of-Distribution Tasks ICML 2025
Meta reinforcement learning aims to develop policies that generalize to unseen tasks sampled from a task distribution. While context-based meta-RL methods improve task representation using task latents, they often struggle with out-of-distribution (OOD) tasks. To address this, we propose Task-Aware Virtual Training (TAVT), a novel algorithm that accurately captures task characteristics for both training and OOD scenarios using metric-based representation learning. Our method successfully preserves task characteristics in virtual tasks and employs a state regularization technique to mitigate overestimation errors in state-varying environments. Numerical results demonstrate that TAVT significantly enhances generalization to OOD tasks across various MuJoCo and MetaWorld environments. Our code is available at https://github.com/JM-Kim-94/tavt.git.
comment: 9 pages main paper, 20 pages appendices with reference. Accepted to ICML 2025
♻ ☆ Uniform Mean Estimation for Heavy-Tailed Distributions via Median-of-Means
The Median of Means (MoM) is a mean estimator that has gained popularity in the context of heavy-tailed data. In this work, we analyze its performance in the task of simultaneously estimating the mean of each function in a class $\mathcal{F}$ when the data distribution possesses only the first $p$ moments for $p \in (1,2]$. We prove a new sample complexity bound using a novel symmetrization technique that may be of independent interest. Additionally, we present applications of our result to $k$-means clustering with unbounded inputs and linear regression with general losses, improving upon existing works.
♻ ☆ Wolfpack Adversarial Attack for Robust Multi-Agent Reinforcement Learning ICML 2025
Traditional robust methods in multi-agent reinforcement learning (MARL) often struggle against coordinated adversarial attacks in cooperative scenarios. To address this limitation, we propose the Wolfpack Adversarial Attack framework, inspired by wolf hunting strategies, which targets an initial agent and its assisting agents to disrupt cooperation. Additionally, we introduce the Wolfpack-Adversarial Learning for MARL (WALL) framework, which trains robust MARL policies to defend against the proposed Wolfpack attack by fostering systemwide collaboration. Experimental results underscore the devastating impact of the Wolfpack attack and the significant robustness improvements achieved by WALL. Our code is available at https://github.com/sunwoolee0504/WALL.
comment: 9 pages main, 23 pages appendix with reference. Accepeted by ICML 2025
♻ ☆ Solving Nonlinear PDEs with Sparse Radial Basis Function Networks
We propose a novel framework for solving nonlinear PDEs using sparse radial basis function (RBF) networks. Sparsity-promoting regularization is employed to prevent over-parameterization and reduce redundant features. This work is motivated by longstanding challenges in traditional RBF collocation methods, along with the limitations of physics-informed neural networks (PINNs) and Gaussian process (GP) approaches, aiming to blend their respective strengths in a unified framework. The theoretical foundation of our approach lies in the function space of Reproducing Kernel Banach Spaces (RKBS) induced by one-hidden-layer neural networks of possibly infinite width. We prove a representer theorem showing that the sparse optimization problem in the RKBS admits a finite solution and establishes error bounds that offer a foundation for generalizing classical numerical analysis. The algorithmic framework is based on a three-phase algorithm to maintain computational efficiency through adaptive feature selection, second-order optimization, and pruning of inactive neurons. Numerical experiments demonstrate the effectiveness of our method and highlight cases where it offers notable advantages over GP approaches. This work opens new directions for adaptive PDE solvers grounded in rigorous analysis with efficient, learning-inspired implementation.
comment: 51 pages, 7 figures
♻ ☆ Dynamic neuron approach to deep neural networks: Decoupling neurons for renormalization group analysis
Deep neural network architectures often consist of repetitive structural elements. We introduce an approach that reveals these patterns and can be broadly applied to the study of deep learning. Similarly to how a power strip helps untangle and organize complex cable connections, this approach treats neurons as additional degrees of freedom in interactions, simplifying the structure and enhancing the intuitive understanding of interactions within deep neural networks. Furthermore, it reveals the translational symmetry of deep neural networks, which simplifies the application of the renormalization group transformation-a method that effectively analyzes the scaling behavior of the system. By utilizing translational symmetry and renormalization group transformations, we can analyze critical phenomena. This approach may open new avenues for studying deep neural networks using statistical physics.
comment: Version matching the publication
♻ ☆ LLäMmlein: Transparent, Compact and Competitive German-Only Language Models from Scratch ACL25
We create two German-only decoder models, LL\"aMmlein 120M and 1B, transparently from scratch and publish them, along with the training data, for the German NLP research community to use. The model training involved several key steps, including extensive data preprocessing, the creation of a custom German tokenizer, the training itself, as well as the evaluation of the final models on various benchmarks. Throughout the training process, multiple checkpoints were saved and analyzed using the SuperGLEBer benchmark to monitor the models' learning dynamics. Compared to state-of-the-art models on the SuperGLEBer benchmark, both LL\"aMmlein models performed competitively, consistently matching or surpassing models with similar parameter sizes. The results show that the models' quality scales with size as expected, but performance improvements on some tasks plateaued early, offering valuable insights into resource allocation for future model development.
comment: camera ready @ACL25; https://www.informatik.uni-wuerzburg.de/datascience/projects/nlp/llammlein/
♻ ☆ BugGen: A Self-Correcting Multi-Agent LLM Pipeline for Realistic RTL Bug Synthesis
Hardware complexity continues to strain verification resources, motivating the adoption of machine learning (ML) methods to improve debug efficiency. However, ML-assisted debugging critically depends on diverse and scalable bug datasets, which existing manual or automated bug insertion methods fail to reliably produce. We introduce BugGen, a first of its kind, fully autonomous, multi-agent pipeline leveraging Large Language Models (LLMs) to systematically generate, insert, and validate realistic functional bugs in RTL. BugGen partitions modules, selects mutation targets via a closed-loop agentic architecture, and employs iterative refinement and rollback mechanisms to ensure syntactic correctness and functional detectability. Evaluated across five OpenTitan IP blocks, BugGen produced 500 unique bugs with 94% functional accuracy and achieved a throughput of 17.7 validated bugs per hour-over five times faster than typical manual expert insertion. Additionally, BugGen identified 104 previously undetected bugs in OpenTitan regressions, highlighting its utility in exposing verification coverage gaps. Compared against Certitude, BugGen demonstrated over twice the syntactic accuracy, deeper exposure of testbench blind spots, and more functionally meaningful and complex bug scenarios. Furthermore, when these BugGen-generated datasets were employed to train ML-based failure triage models, we achieved high classification accuracy (88.1%-93.2%) across different IP blocks, confirming the practical utility and realism of generated bugs. BugGen thus provides a scalable solution for generating high-quality bug datasets, significantly enhancing verification efficiency and ML-assisted debugging.
♻ ☆ MOS: Model Surgery for Pre-Trained Model-Based Class-Incremental Learning AAAI 2025
Class-Incremental Learning (CIL) requires models to continually acquire knowledge of new classes without forgetting old ones. Despite Pre-trained Models (PTMs) have shown excellent performance in CIL, catastrophic forgetting still occurs as the model learns new concepts. Existing work seeks to utilize lightweight components to adjust the PTM, while the forgetting phenomenon still comes from {\em parameter and retrieval} levels. Specifically, iterative updates of the model result in parameter drift, while mistakenly retrieving irrelevant modules leads to the mismatch during inference. To this end, we propose MOdel Surgery (MOS) to rescue the model from forgetting previous knowledge. By training task-specific adapters, we continually adjust the PTM to downstream tasks. To mitigate parameter-level forgetting, we present an adapter merging approach to learn task-specific adapters, which aims to bridge the gap between different components while reserve task-specific information. Besides, to address retrieval-level forgetting, we introduce a training-free self-refined adapter retrieval mechanism during inference, which leverages the model's inherent ability for better adapter retrieval. By jointly rectifying the model with those steps, MOS can robustly resist catastrophic forgetting in the learning process. Extensive experiments on seven benchmark datasets validate MOS's state-of-the-art performance. Code is available at: https://github.com/sun-hailong/AAAI25-MOS
comment: Accepted to AAAI 2025. Code is available at: https://github.com/sun-hailong/AAAI25-MOS
♻ ☆ Closed-Loop Long-Horizon Robotic Planning via Equilibrium Sequence Modeling ICML 2025
In the endeavor to make autonomous robots take actions, task planning is a major challenge that requires translating high-level task descriptions to long-horizon action sequences. Despite recent advances in language model agents, they remain prone to planning errors and limited in their ability to plan ahead. To address these limitations in robotic planning, we advocate a self-refining scheme that iteratively refines a draft plan until an equilibrium is reached. Remarkably, this process can be optimized end-to-end from an analytical perspective without the need to curate additional verifiers or reward models, allowing us to train self-refining planners in a simple supervised learning fashion. Meanwhile, a nested equilibrium sequence modeling procedure is devised for efficient closed-loop planning that incorporates useful feedback from the environment (or an internal world model). Our method is evaluated on the VirtualHome-Env benchmark, showing advanced performance with improved scaling w.r.t. inference-time computation. Code is available at https://github.com/Singularity0104/equilibrium-planner.
comment: ICML 2025
♻ ☆ Large-Scale Multi-omic Biosequence Transformers for Modeling Protein-Nucleic Acid Interactions
The transformer architecture has revolutionized bioinformatics and driven progress in the understanding and prediction of the properties of biomolecules. To date, most biosequence transformers have been trained on single-omic data-either proteins or nucleic acids and have seen incredible success in downstream tasks in each domain, with particularly noteworthy breakthroughs in protein structural modeling. However, single-omic pre-training limits the ability of these models to capture cross-modal interactions. Here we present OmniBioTE, the largest open-source multi-omic model trained on over 250 billion tokens of mixed protein and nucleic acid data. We show that despite only being trained on unlabeled sequence data, OmniBioTE learns joint representations mapping genes to their corresponding protein sequences. We further demonstrate that OmbiBioTE achieves state-of-the-art results predicting the change in Gibbs free energy ({\Delta}G) of the binding interaction between a given nucleic acid and protein. Remarkably, we show that multi-omic biosequence transformers emergently learn useful structural information without any a priori structural training, allowing us to predict which protein residues are most involved in the protein-nucleic acid binding interaction. Lastly, compared to single-omic controls trained with identical compute, OmniBioTE demonstrates superior performance-per-FLOP across both multi-omic and single-omic benchmarks, highlighting the power of a unified modeling approach for biological sequences.
comment: 41 pages, 5 figures
♻ ☆ Personalized Layer Selection for Graph Neural Networks
Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its local neighborhood, and using the same level of smoothing for all nodes can be detrimental to their classification. In this work, we challenge the common fact that a single GNN layer can classify all nodes of a graph by training GNNs with a distinct personalized layer for each node. Inspired by metric learning, we propose a novel algorithm, MetSelect1, to select the optimal representation layer to classify each node. In particular, we identify a prototype representation of each class in a transformed GNN layer and then, classify using the layer where the distance is smallest to a class prototype after normalizing with that layer's variance. Results on 10 datasets and 3 different GNNs show that we significantly improve the node classification accuracy of GNNs in a plug-and-play manner. We also find that using variable layers for prediction enables GNNs to be deeper and more robust to poisoning attacks. We hope this work can inspire future works to learn more adaptive and personalized graph representations.
♻ ☆ Bandit and Delayed Feedback in Online Structured Prediction
Online structured prediction is a task of sequentially predicting outputs with complex structures based on inputs and past observations, encompassing online classification. Recent studies showed that in the full-information setting, we can achieve finite bounds on the \textit{surrogate regret}, i.e. the extra target loss relative to the best possible surrogate loss. In practice, however, full-information feedback is often unrealistic as it requires immediate access to the whole structure of complex outputs. Motivated by this, we propose algorithms that work with less demanding feedback, bandit and delayed feedback. For bandit feedback, by using a standard inverse-weighted gradient estimator, we achieve a surrogate regret bound of $O(\sqrt{KT})$ for the time horizon $T$ and the size of the output set $K$. However, $K$ can be extremely large when outputs are highly complex, resulting in an undesirable bound. To address this issue, we propose another algorithm that achieves a surrogate regret bound of $O(T^{2/3})$, which is independent of $K$. This is achieved with a carefully designed pseudo-inverse matrix estimator. Furthermore, we numerically compare the performance of these algorithms, as well as existing ones. Regarding delayed feedback, we provide algorithms and regret analyses that cover various scenarios, including full-information and bandit feedback, as well as fixed and variable delays.
comment: 39 pages
♻ ☆ Bridging the Gap Between Approximation and Learning via Optimal Approximation by ReLU MLPs of Maximal Regularity
The foundations of deep learning are supported by the seemingly opposing perspectives of approximation or learning theory. The former advocates for large/expressive models that need not generalize, while the latter considers classes that generalize but may be too small/constrained to be universal approximators. Motivated by real-world deep learning implementations that are both expressive and statistically reliable, we ask: "Is there a class of neural networks that is both large enough to be universal but structured enough to generalize?" This paper constructively provides a positive answer to this question by identifying a highly structured class of ReLU multilayer perceptions (MLPs), which are optimal function approximators and are statistically well-behaved. We show that any $(L,\alpha)$-H\"{o}lder function from $[0,1]^d$ to $[-n,n]$ can be approximated to a uniform $\mathcal{O}(1/n)$ error on $[0,1]^d$ with a sparsely connected ReLU MLP with the same H\"{o}lder exponent $\alpha$ and coefficient $L$, of width $\mathcal{O}(dn^{d/\alpha})$, depth $\mathcal{O}(\log(d))$, with $\mathcal{O}(dn^{d/\alpha})$ nonzero parameters, and whose weights and biases take values in $\{0,\pm 1/2\}$ except in the first and last layers which instead have magnitude at-most $n$. Further, our class of MLPs achieves a near-optimal sample complexity of $\mathcal{O}(\log(N)/\sqrt{N})$ when given $N$ i.i.d. normalized sub-Gaussian training samples. We achieve this by fitting together linear pieces perfectly via the Kuhn triangulation, and we introduce a new proof technique which shows that our construction preserves the regularity of not only the H\"{o}lder functions, but also any uniformly continuous function. Our results imply that neural networks can solve the McShane extension problem on suitable finite sets.
comment: 16 pages main body, 40 pages proofs, 9 figures, 1 table
♻ ☆ Sublinear Algorithms for Wasserstein and Total Variation Distances: Applications to Fairness and Privacy Auditing
Resource-efficiently computing representations of probability distributions and the distances between them while only having access to the samples is a fundamental and useful problem across mathematical sciences. In this paper, we propose a generic framework to learn the probability and cumulative distribution functions (PDFs and CDFs) of a sub-Weibull, i.e. almost any light- or heavy-tailed, distribution while the samples from it arrive in a stream. The idea is to reduce these problems into estimating the frequency of an \textit{appropriately chosen subset} of the support of a \textit{properly discretised distribution}. We leverage this reduction to compute mergeable summaries of distributions from the stream of samples while requiring only sublinear space relative to the number of observed samples. This allows us to estimate Wasserstein and Total Variation (TV) distances between any two distributions while samples arrive in streams and from multiple sources. Our algorithms significantly improves on the existing methods for distance estimation incurring super-linear time and linear space complexities, and further extend the mergeable summaries framework to continuous distributions with possibly infinite support. Our results are tight with respect to the existing lower bounds for bounded discrete distributions. In addition, we leverage our proposed estimators of Wasserstein and TV distances to tightly audit the fairness and privacy of algorithms. We empirically demonstrate the efficiency of proposed algorithms across synthetic and real-world datasets.
♻ ☆ Representation Alignment for Generation: Training Diffusion Transformers Is Easier Than You Think ICLR 2025
Recent studies have shown that the denoising process in (generative) diffusion models can induce meaningful (discriminative) representations inside the model, though the quality of these representations still lags behind those learned through recent self-supervised learning methods. We argue that one main bottleneck in training large-scale diffusion models for generation lies in effectively learning these representations. Moreover, training can be made easier by incorporating high-quality external visual representations, rather than relying solely on the diffusion models to learn them independently. We study this by introducing a straightforward regularization called REPresentation Alignment (REPA), which aligns the projections of noisy input hidden states in denoising networks with clean image representations obtained from external, pretrained visual encoders. The results are striking: our simple strategy yields significant improvements in both training efficiency and generation quality when applied to popular diffusion and flow-based transformers, such as DiTs and SiTs. For instance, our method can speed up SiT training by over 17.5$\times$, matching the performance (without classifier-free guidance) of a SiT-XL model trained for 7M steps in less than 400K steps. In terms of final generation quality, our approach achieves state-of-the-art results of FID=1.42 using classifier-free guidance with the guidance interval.
comment: ICLR 2025 (Oral). Project page: https://sihyun.me/REPA
♻ ☆ REVOLVE: Optimizing AI Systems by Tracking Response Evolution in Textual Optimization ICML 2025
Recent advancements in large language models (LLMs) have significantly enhanced the ability of LLM-based systems to perform complex tasks through natural language processing and tool interaction. However, optimizing these LLM-based systems for specific tasks remains challenging, often requiring manual interventions like prompt engineering and hyperparameter tuning. Existing automatic optimization methods, such as textual feedback-based techniques (e.g., TextGrad), tend to focus on immediate feedback, analogous to using immediate derivatives in traditional numerical gradient descent. However, relying solely on such feedback can be limited when the adjustments made in response to this feedback are either too small or fluctuate irregularly, potentially slowing down or even stalling the optimization process. To overcome these challenges, more adaptive methods are needed, especially in situations where the system's response is evolving slowly or unpredictably. In this paper, we introduce REVOLVE, an optimization method that tracks how "R"esponses "EVOLVE" across iterations in LLM systems. By focusing on the evolution of responses over time, REVOLVE enables more stable and effective optimization by making thoughtful, progressive adjustments at each step. Experimental results demonstrate that REVOLVE outperforms competitive baselines, achieving a 7.8% improvement in prompt optimization, a 20.72% gain in solution refinement, and a 29.17% increase in code optimization. Additionally, REVOLVE converges in fewer iterations, resulting in significant computational savings. Beyond its practical contributions, REVOLVE highlights a promising direction, where the rich knowledge from established optimization principles can be leveraged to enhance LLM systems, which paves the way for further advancements in this hybrid domain.
comment: 20 pages, 2 figures, accepted by ICML 2025
♻ ☆ Thermodynamic bounds on energy use in Deep Neural Networks
While Landauer's principle sets a fundamental energy limit for irreversible digital computation, we show that Deep Neural Networks (DNNs) implemented on analog physical substrates can operate under markedly different thermodynamic constraints. We distinguish between two classes of analog systems: dynamic and quasi-static. In dynamic systems, energy dissipation arises from neuron resets, with a lower bound governed by Landauer's principle. To analyse a quasi-static analog platform, we construct an explicit mapping of a generic feedforward DNN onto a physical system described by a model Hamiltonian. In this framework, inference can proceed reversibly, with no minimum free energy cost imposed by thermodynamics. We further analyze the training process in quasi-static analog networks and derive a fundamental lower bound on its energy cost, rooted in the interplay between thermal and statistical noise. Our results suggest that while analog implementations can outperform digital ones during inference, the thermodynamic cost of training scales similarly in both paradigms.
comment: 6 pages, 1 figure, 1 table, significantly modified version
♻ ☆ Beyond Propagation of Chaos: A Stochastic Algorithm for Mean Field Optimization
Gradient flow in the 2-Wasserstein space is widely used to optimize functionals over probability distributions and is typically implemented using an interacting particle system with $n$ particles. Analyzing these algorithms requires showing (a) that the finite-particle system converges and/or (b) that the resultant empirical distribution of the particles closely approximates the optimal distribution (i.e., propagation of chaos). However, establishing efficient sufficient conditions can be challenging, as the finite particle system may produce heavily dependent random variables. In this work, we study the virtual particle stochastic approximation, originally introduced for Stein Variational Gradient Descent. This method can be viewed as a form of stochastic gradient descent in the Wasserstein space and can be implemented efficiently. In popular settings, we demonstrate that our algorithm's output converges to the optimal distribution under conditions similar to those for the infinite particle limit, and it produces i.i.d. samples without the need to explicitly establish propagation of chaos bounds.
♻ ☆ PLD: A Choice-Theoretic List-Wise Knowledge Distillation
Knowledge distillation is a model compression technique in which a compact "student" network is trained to replicate the predictive behavior of a larger "teacher" network. In logit-based knowledge distillation it has become the de facto approach to augment cross-entropy with a distillation term. Typically this term is either a KL divergence-matching marginal probabilities or a correlation-based loss capturing intra- and inter-class relationships but in every case it sits as an add-on to cross-entropy with its own weight that must be carefully tuned. In this paper we adopt a choice-theoretic perspective and recast knowledge distillation under the Plackett-Luce model by interpreting teacher logits as "worth" scores. We introduce Plackett-Luce Distillation (PLD), a weighted list-wise ranking loss in which the teacher model transfers knowledge of its full ranking of classes, weighting each ranked choice by its own confidence. PLD directly optimizes a single teacher-optimal ranking of the true label first, followed by the remaining classes in descending teacher confidence, yielding a convex, translation-invariant surrogate that subsumes weighted cross-entropy. Empirically on standard image classification benchmarks, PLD improves Top-1 accuracy by an average of +0.42% over DIST (arXiv:2205.10536) and +1.04% over KD (arXiv:1503.02531) in homogeneous settings and by +0.48% and +1.09% over DIST and KD, respectively, in heterogeneous settings.
♻ ☆ RL-Obfuscation: Can Language Models Learn to Evade Latent-Space Monitors?
Latent-space monitors aim to detect undesirable behaviours in large language models by leveraging internal model representations rather than relying solely on black-box outputs. These methods have shown promise in identifying behaviours such as deception and unsafe completions, but a critical open question remains: can LLMs learn to evade such monitors? To study this, we introduce RL-Obfuscation, in which LLMs are finetuned via reinforcement learning to bypass latent-space monitors while maintaining coherent generations. We apply RL-Obfuscation to LLMs ranging from 7B to 14B parameters and evaluate evasion success against a suite of monitors. We find that token-level latent-space monitors are highly vulnerable to this attack. More holistic monitors, such as max-pooling or attention-based probes, remain robust. Moreover, we show that adversarial policies trained to evade a single static monitor generalise to unseen monitors of the same type. Finally, we study how the policy learned by RL bypasses these monitors and find that the model can also learn to repurpose tokens to mean something different internally.
♻ ☆ Steering Large Agent Populations using Mean-Field Schrodinger Bridges with Gaussian Mixture Models
The Mean-Field Schrodinger Bridge (MFSB) problem is an optimization problem aiming to find the minimum effort control policy to drive a McKean-Vlassov stochastic differential equation from one probability measure to another. In the context of multi-agent control, the objective is to control the configuration of a swarm of identical, interacting cooperative agents, as captured by the time-varying probability measure of their state. Available methods for solving this problem for distributions with continuous support rely either on spatial discretizations of the problem's domain or on approximating optimal solutions using neural networks trained through stochastic optimization schemes. For agents following Linear Time Varying dynamics, and for Gaussian Mixture Model boundary distributions, we propose a highly efficient parameterization to approximate the optimal solutions of the corresponding MFSB in closed form, without any learning step. Our proposed approach consists of a mixture of elementary policies, each solving a Gaussian-to-Gaussian Covariance Steering problem from the components of the initial mixture to the components of the terminal mixture. Leveraging the semidefinite formulation of the Covariance Steering problem, the proposed solver can handle probabilistic constraints on the system's state while maintaining numerical tractability. We illustrate our approach on a variety of numerical examples.
comment: Accepted for publication in L-CSS
♻ ☆ ChemHAS: Hierarchical Agent Stacking for Enhancing Chemistry Tools
Large Language Model (LLM)-based agents have demonstrated the ability to improve performance in chemistry-related tasks by selecting appropriate tools. However, their effectiveness remains limited by the inherent prediction errors of chemistry tools. In this paper, we take a step further by exploring how LLMbased agents can, in turn, be leveraged to reduce prediction errors of the tools. To this end, we propose ChemHAS (Chemical Hierarchical Agent Stacking), a simple yet effective method that enhances chemistry tools through optimizing agent-stacking structures from limited data. ChemHAS achieves state-of-the-art performance across four fundamental chemistry tasks, demonstrating that our method can effectively compensate for prediction errors of the tools. Furthermore, we identify and characterize four distinct agent-stacking behaviors, potentially improving interpretability and revealing new possibilities for AI agent applications in scientific research. Our code and dataset are publicly available at https: //anonymous.4open.science/r/ChemHAS-01E4/README.md.
comment: 9 pages
♻ ☆ Improved Regret in Stochastic Decision-Theoretic Online Learning under Differential Privacy
Hu and Mehta (2024) posed an open problem: what is the optimal instance-dependent rate for the stochastic decision-theoretic online learning (with $K$ actions and $T$ rounds) under $\varepsilon$-differential privacy? Before, the best known upper bound and lower bound are $O\left(\frac{\log K}{\Delta_{\min}} + \frac{\log K\log T}{\varepsilon}\right)$ and $\Omega\left(\frac{\log K}{\Delta_{\min}} + \frac{\log K}{\varepsilon}\right)$ (where $\Delta_{\min}$ is the gap between the optimal and the second actions). In this paper, we partially address this open problem by having two new results. First, we provide an improved upper bound for this problem $O\left(\frac{\log K}{\Delta_{\min}} + \frac{\log^2K}{\varepsilon}\right)$, which is $T$-independent and only has a log dependency in $K$. Second, to further understand the gap, we introduce the \textit{deterministic setting}, a weaker setting of this open problem, where the received loss vector is deterministic. At this weaker setting, a direct application of the analysis and algorithms from the original setting still leads to an extra log factor. We conduct a novel analysis which proves upper and lower bounds that match at $\Theta(\frac{\log K}{\varepsilon})$.
♻ ☆ QTIP: Quantization with Trellises and Incoherence Processing NeurIPS 2024
Post-training quantization (PTQ) reduces the memory footprint of LLMs by quantizing weights to low-precision datatypes. Since LLM inference is usually memory-bound, PTQ methods can improve inference throughput. Recent state-of-the-art PTQ approaches use vector quantization (VQ) to quantize multiple weights at once, which improves information utilization through better shaping. However, VQ requires a codebook with size exponential in the dimension. This limits current VQ-based PTQ works to low VQ dimensions ($\le 8$) that in turn limit quantization quality. Here, we introduce QTIP, which instead uses trellis coded quantization (TCQ) to achieve ultra-high-dimensional quantization. TCQ uses a stateful decoder that separates the codebook size from the bitrate and effective dimension. QTIP introduces a spectrum of lookup-only to computed lookup-free trellis codes designed for a hardware-efficient "bitshift" trellis structure; these codes achieve state-of-the-art results in both quantization quality and inference speed.
comment: NeurIPS 2024 Spotlight
♻ ☆ LLMs can be Dangerous Reasoners: Analyzing-based Jailbreak Attack on Large Language Models
The rapid development of Large Language Models (LLMs) has brought impressive advancements across various tasks. However, despite these achievements, LLMs still pose inherent safety risks, especially in the context of jailbreak attacks. Most existing jailbreak methods follow an input-level manipulation paradigm to bypass safety mechanisms. Yet, as alignment techniques improve, such attacks are becoming increasingly detectable. In this work, we identify an underexplored threat vector: the model's internal reasoning process, which can be manipulated to elicit harmful outputs in a more stealthy way. To explore this overlooked attack surface, we propose a novel black-box jailbreak attack method, Analyzing-based Jailbreak (ABJ). ABJ comprises two independent attack paths: textual and visual reasoning attacks, which exploit the model's multimodal reasoning capabilities to bypass safety mechanisms, comprehensively exposing vulnerabilities in its reasoning chain. We conduct extensive experiments on ABJ across various open-source and closed-source LLMs, VLMs, and RLMs. In particular, ABJ achieves high attack success rate (ASR) (82.1% on GPT-4o-2024-11-20) with exceptional attack efficiency (AE) among all target models, showcasing its remarkable attack effectiveness, transferability, and efficiency. Our work reveals a new type of safety risk and highlights the urgent need to mitigate implicit vulnerabilities in the model's reasoning process.
♻ ☆ Aligning Evaluation with Clinical Priorities: Calibration, Label Shift, and Error Costs
Machine learning-based decision support systems are increasingly deployed in clinical settings, where probabilistic scoring functions are used to inform and prioritize patient management decisions. However, widely used scoring rules, such as accuracy and AUC-ROC, fail to adequately reflect key clinical priorities, including calibration, robustness to distributional shifts, and sensitivity to asymmetric error costs. In this work, we propose a principled yet practical evaluation framework for selecting calibrated thresholded classifiers that explicitly accounts for the uncertainty in class prevalences and domain-specific cost asymmetries often found in clinical settings. Building on the theory of proper scoring rules, particularly the Schervish representation, we derive an adjusted variant of cross-entropy (log score) that averages cost-weighted performance over clinically relevant ranges of class balance. The resulting evaluation is simple to apply, sensitive to clinical deployment conditions, and designed to prioritize models that are both calibrated and robust to real-world variations.
♻ ☆ MERGE -- A Bimodal Audio-Lyrics Dataset for Static Music Emotion Recognition
The Music Emotion Recognition (MER) field has seen steady developments in recent years, with contributions from feature engineering, machine learning, and deep learning. The landscape has also shifted from audio-centric systems to bimodal ensembles that combine audio and lyrics. However, a lack of public, sizable and quality-controlled bimodal databases has hampered the development and improvement of bimodal audio-lyrics systems. This article proposes three new audio, lyrics, and bimodal MER research datasets, collectively referred to as MERGE, which were created using a semi-automatic approach. To comprehensively assess the proposed datasets and establish a baseline for benchmarking, we conducted several experiments for each modality, using feature engineering, machine learning, and deep learning methodologies. Additionally, we propose and validate fixed train-validation-test splits. The obtained results confirm the viability of the proposed datasets, achieving the best overall result of 81.74\% F1-score for bimodal classification.
comment: 18 pages, 2 figures, 8 tables, submitted to IEEE Transactions on Affective Computing
♻ ☆ The Epochal Sawtooth Phenomenon: Unveiling Training Loss Oscillations in Adam and Other Optimizers
In this paper, we identify and analyze a recurring training loss pattern, which we term the \textit{Epochal Sawtooth Phenomenon (ESP)}, commonly observed during training with adaptive gradient-based optimizers, particularly Adam optimizer. This pattern is characterized by a sharp drop in loss at the beginning of each epoch, followed by a gradual increase, resulting in a sawtooth-shaped loss curve. Through empirical observations, we demonstrate that while this effect is most pronounced with Adam, it persists, although less severely, with other optimizers such as RMSProp. We empirically analyze the mechanisms underlying ESP, focusing on key factors such as Adam's $\beta$ parameters, batch size, data shuffling, and sample replacement. Our analysis shows that ESP arises from adaptive learning rate adjustments controlled by the second moment estimate. Additionally, we identify the ``immediate re-exposure to samples'' effect during data shuffling, which causes the model to learn or memorize more at the beginning of each epoch. We also find that smaller values of $\beta_2$ exacerbate ESP but can act as a form of regularization. While ESP is not necessarily indicative of overfitting, higher model capacity can amplify the phenomenon. To further support our analysis, we replicate ESP through a high-dimensional quadratic minimization task. We demonstrate that ESP can emerge even in simple optimization scenarios, reinforcing the generality of this pattern. The code for reproducing our experiments is available at https://github.com/qiliuchn/training-loss-pattern.
comment: 15 pages, 21 figures
♻ ☆ Constrained Linear Thompson Sampling
We study safe linear bandits (SLBs), where an agent selects actions from a convex set to maximize an unknown linear objective subject to unknown linear constraints in each round. Existing methods for SLBs provide strong regret guarantees, but require solving expensive optimization problems (e.g., second-order cones, NP hard programs). To address this, we propose Constrained Linear Thompson Sampling (COLTS), a sampling-based framework that selects actions by solving perturbed linear programs, which significantly reduces computational costs while matching the regret and risk of prior methods. We develop two main variants: S-COLTS, which ensures zero risk and $\widetilde{O}(\sqrt{d^3 T})$ regret given a safe action, and R-COLTS, which achieves $\widetilde{O}(\sqrt{d^3 T})$ regret and risk with no instance information. In simulations, these methods match or outperform state of the art SLB approaches while substantially improving scalability. On the technical front, we introduce a novel coupled noise design that ensures frequent `local optimism' about the true optimum, and a scaling-based analysis to handle the per-round variability of constraints.
Genomics 3
☆ Global Ground Metric Learning with Applications to scRNA data
Optimal transport provides a robust framework for comparing probability distributions. Its effectiveness is significantly influenced by the choice of the underlying ground metric. Traditionally, the ground metric has either been (i) predefined, e.g., as the Euclidean distance, or (ii) learned in a supervised way, by utilizing labeled data to learn a suitable ground metric for enhanced task-specific performance. Yet, predefined metrics typically cannot account for the inherent structure and varying importance of different features in the data, and existing supervised approaches to ground metric learning often do not generalize across multiple classes or are restricted to distributions with shared supports. To address these limitations, we propose a novel approach for learning metrics for arbitrary distributions over a shared metric space. Our method provides a distance between individual points like a global metric, but requires only class labels on a distribution-level for training. The learned global ground metric enables more accurate optimal transport distances, leading to improved performance in embedding, clustering and classification tasks. We demonstrate the effectiveness and interpretability of our approach using patient-level scRNA-seq data spanning multiple diseases.
comment: This method is provided as a Python package on PyPI, see https://github.com/DaminK/ggml-ot
☆ Advancing Digital Precision Medicine for Chronic Fatigue Syndrome through Longitudinal Large-Scale Multi-Modal Biological Omics Modeling with Machine Learning and Artificial Intelligence
We studied a generalized question: chronic diseases like ME/CFS and long COVID exhibit high heterogeneity with multifactorial etiology and progression, complicating diagnosis and treatment. To address this, we developed BioMapAI, an explainable Deep Learning framework using the richest longitudinal multi-omics dataset for ME/CFS to date. This dataset includes gut metagenomics, plasma metabolome, immune profiling, blood labs, and clinical symptoms. By connecting multi-omics to a symptom matrix, BioMapAI identified both disease- and symptom-specific biomarkers, reconstructed symptoms, and achieved state-of-the-art precision in disease classification. We also created the first connectivity map of these omics in both healthy and disease states and revealed how microbiome-immune-metabolome crosstalk shifted from healthy to ME/CFS.
☆ Quantum-inspired algorithm for simulating viral response
Understanding the properties of biological systems is an exciting avenue for applying advanced approaches to solving corresponding computational tasks. A specific class of problems that arises in the resolution of biological challenges is optimization. In this work, we present the results of a proof-of-concept study that applies a quantum-inspired optimization algorithm to simulate a viral response. We formulate an Ising-type model to describe the patterns of gene activity in host responses. Reducing the problem to the Ising form allows the use of available quantum and quantum-inspired optimization tools. We demonstrate the application of a quantum-inspired optimization algorithm to this problem. Our study paves the way for exploring the full potential of quantum and quantum-inspired optimization tools in biological applications.
comment: 35 pages, 6 figures
Quantitative Methods 5
☆ Automatic computation of the glycemic index: data driven analysis of the glucose standard
The Glycemic Index (GI) is a tool for classifying carbohydrates based on their impact on postprandial glycemia, useful for diabetes prevention and management. This study applies a mathematical model for a data driven simulation of the glycemic response following glucose ingestion. The analysis reveals a direct correlation between glucose response profiles and parameters describing glucose absorption, enabling the classification of subjects into three groups based on the timing of their glycemic peak. Our results offer potential applications for both glycemic index simulation and advancing biological studies on diabetes.
comment: 21 pages, 13 figures, 5 tables
☆ Universal Laboratory Model: prognosis of abnormal clinical outcomes based on routine tests
Clinical laboratory results are ubiquitous in any diagnosis making. Predicting abnormal values of not prescribed tests based on the results of performed tests looks intriguing, as it would be possible to make early diagnosis available to everyone. The special place is taken by the Common Blood Count (CBC) test, as it is the most widely used clinical procedure. Combining routine biochemical panels with CBC presents a set of test-value pairs that varies from patient to patient, or, in common settings, a table with missing values. Here we formulate a tabular modeling problem as a set translation problem where the source set comprises pairs of GPT-like label column embedding and its corresponding value while the target set consists of the same type embeddings only. The proposed approach can effectively deal with missing values without implicitly estimating them and bridges the world of LLM with the tabular domain. Applying this method to clinical laboratory data, we achieve an improvement up to 8% AUC for joint predictions of high uric acid, glucose, cholesterol, and low ferritin levels.
comment: 7 pages, 2 figues
☆ Bayesian Non-Negative Matrix Factorization with Correlated Mutation Type Probabilities for Mutational Signatures
Somatic mutations, or alterations in DNA of a somatic cell, are key markers of cancer. In recent years, mutational signature analysis has become a prominent field of study within cancer research, commonly with Nonnegative Matrix Factorization (NMF) and Bayesian NMF. However, current methods assume independence across mutation types in the signatures matrix. This paper expands upon current Bayesian NMF methodologies by proposing novel methods that account for the dependencies between the mutation types. First, we implement the Bayesian NMF specification with a Multivariate Truncated Normal prior on the signatures matrix in order to model the covariance structure using external information, in our case estimated from the COSMIC signatures database. This model converges in fewer iterations, using MCMC, when compared to a model with independent Truncated Normal priors on elements of the signatures matrix and results in improvements in accuracy, especially on small sample sizes. In addition, we develop a hierarchical model that allows the covariance structure of the signatures matrix to be discovered rather than specified upfront, giving the algorithm more flexibility. This flexibility for the algorithm to learn the dependence structure of the signatures allows a better understanding of biological interactions and how these change across different types of cancer. The code for this project is contributed to an open-source R software package. Our work lays the groundwork for future research to incorporate dependency structure across mutation types in the signatures matrix and is also applicable to any use of NMF beyond just single-base substitution (SBS) mutational signatures.
comment: 23 pages, 10 figures, (+ references and supplement)
♻ ☆ Redefining spectral unmixing for in-vivo brain tissue analysis from hyperspectral imaging
In this paper, we propose a methodology for extracting molecular tumor biomarkers from hyperspectral imaging (HSI), an emerging technology for intraoperative tissue assessment. To achieve this, we employ spectral unmixing, allowing to decompose the spectral signals recorded by the HSI camera into their constituent molecular components. Traditional unmixing approaches are based on physical models that establish a relationship between tissue molecules and the recorded spectra. However, these methods commonly assume a linear relationship between the spectra and molecular content, which does not capture the whole complexity of light-matter interaction. To address this limitation, we introduce a novel unmixing procedure that allows to take into account non-linear optical effects while preserving the computational benefits of linear spectral unmixing. We validate our methodology on an in-vivo brain tissue HSI dataset and demonstrate that the extracted molecular information leads to superior classification performance.
♻ ☆ Generative diffusion model surrogates for mechanistic agent-based biological models
Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and interrogating these models. CPMs become computationally expensive at large space- and time- scales making application and investigation of developed models difficult. Surrogate models may allow for the accelerated evaluation of CPMs of complex biological systems. However, the stochastic nature of these models means each set of parameters may give rise to different model configurations, complicating surrogate model development. In this work, we leverage denoising diffusion probabilistic models to train a generative AI surrogate of a CPM used to investigate in vitro vasculogenesis. We describe the use of an image classifier to learn the characteristics that define unique areas of a 2-dimensional parameter space. We then apply this classifier to aid in surrogate model selection and verification. Our CPM model surrogate generates model configurations 20,000 timesteps ahead of a reference configuration and demonstrates approximately a 22x reduction in computational time as compared to native code execution. Our work represents a step towards the implementation of DDPMs to develop digital twins of stochastic biological systems.
Computation and Language 100
☆ A Variational Framework for Improving Naturalness in Generative Spoken Language Models ICML
The success of large language models in text processing has inspired their adaptation to speech modeling. However, since speech is continuous and complex, it is often discretized for autoregressive modeling. Speech tokens derived from self-supervised models (known as semantic tokens) typically focus on the linguistic aspects of speech but neglect prosodic information. As a result, models trained on these tokens can generate speech with reduced naturalness. Existing approaches try to fix this by adding pitch features to the semantic tokens. However, pitch alone cannot fully represent the range of paralinguistic attributes, and selecting the right features requires careful hand-engineering. To overcome this, we propose an end-to-end variational approach that automatically learns to encode these continuous speech attributes to enhance the semantic tokens. Our approach eliminates the need for manual extraction and selection of paralinguistic features. Moreover, it produces preferred speech continuations according to human raters. Code, samples and models are available at https://github.com/b04901014/vae-gslm.
comment: International Conference on Machine Learning (ICML) 2025
☆ ASCD: Attention-Steerable Contrastive Decoding for Reducing Hallucination in MLLM
Multimodal Large Language Model (MLLM) often suffer from hallucinations. They over-rely on partial cues and generate incorrect responses. Recently, methods like Visual Contrastive Decoding (VCD) and Instruction Contrastive Decoding (ICD) have been proposed to mitigate hallucinations by contrasting predictions from perturbed or negatively prefixed inputs against original outputs. In this work, we uncover that methods like VCD and ICD fundamentally influence internal attention dynamics of the model. This observation suggests that their effectiveness may not stem merely from surface-level modifications to logits but from deeper shifts in attention distribution. Inspired by this insight, we propose an attention-steerable contrastive decoding framework that directly intervenes in attention mechanisms of the model to offer a more principled approach to mitigating hallucinations. Our experiments across multiple MLLM architectures and diverse decoding methods demonstrate that our approach significantly reduces hallucinations and improves the performance on benchmarks such as POPE, CHAIR, and MMHal-Bench, while simultaneously enhancing performance on standard VQA benchmarks.
comment: 15 pages, 7 figures
☆ From Bytes to Ideas: Language Modeling with Autoregressive U-Nets
Tokenization imposes a fixed granularity on the input text, freezing how a language model operates on data and how far in the future it predicts. Byte Pair Encoding (BPE) and similar schemes split text once, build a static vocabulary, and leave the model stuck with that choice. We relax this rigidity by introducing an autoregressive U-Net that learns to embed its own tokens as it trains. The network reads raw bytes, pools them into words, then pairs of words, then up to 4 words, giving it a multi-scale view of the sequence. At deeper stages, the model must predict further into the future -- anticipating the next few words rather than the next byte -- so deeper stages focus on broader semantic patterns while earlier stages handle fine details. When carefully tuning and controlling pretraining compute, shallow hierarchies tie strong BPE baselines, and deeper hierarchies have a promising trend. Because tokenization now lives inside the model, the same system can handle character-level tasks and carry knowledge across low-resource languages.
☆ Reasoning with Exploration: An Entropy Perspective
Balancing exploration and exploitation is a central goal in reinforcement learning (RL). Despite recent advances in enhancing language model (LM) reasoning, most methods lean toward exploitation, and increasingly encounter performance plateaus. In this work, we revisit entropy -- a signal of exploration in RL -- and examine its relationship to exploratory reasoning in LMs. Through empirical analysis, we uncover strong positive correlations between high-entropy regions and three types of exploratory reasoning actions: (1) pivotal tokens that determine or connect logical steps, (2) reflective actions such as self-verification and correction, and (3) rare behaviors under-explored by the base LMs. Motivated by this, we introduce a minimal modification to standard RL with only one line of code: augmenting the advantage function with an entropy-based term. Unlike traditional maximum-entropy methods which encourage exploration by promoting uncertainty, we encourage exploration by promoting longer and deeper reasoning chains. Notably, our method achieves significant gains on the Pass@K metric -- an upper-bound estimator of LM reasoning capabilities -- even when evaluated with extremely large K values, pushing the boundaries of LM reasoning.
☆ Optimizing Length Compression in Large Reasoning Models
Large Reasoning Models (LRMs) have achieved remarkable success, yet they often suffer from producing unnecessary and verbose reasoning chains. We identify a core aspect of this issue as "invalid thinking" -- models tend to repeatedly double-check their work after having derived the correct answer. To address this specific inefficiency, we move beyond the general principles of Efficacy and Efficiency to propose two new, fine-grained principles: Brevity, which advocates for eliminating redundancy, and Sufficiency, which ensures critical reasoning steps are preserved. Guided by these principles, we introduce LC-R1, a post-training method based on Group Relative Policy Optimization (GRPO). LC-R1 employs a novel combination of a Length Reward for overall conciseness and a Compress Reward that is specifically designed to remove the invalid portion of the thinking process. Extensive experiments on multiple reasoning benchmarks demonstrate that LC-R1 achieves a significant reduction in sequence length (~50%) with only a marginal (~2%) drop in accuracy, achieving a favorable trade-off point on the Pareto frontier that prioritizes high compression. Our analysis further validates the robustness of LC-R1 and provides valuable insights for developing more powerful yet computationally efficient LRMs. Our code is released at https://github.com/zxiangx/LC-R1.
comment: 16 pages, 7 figures, 4 tables
☆ Ring-lite: Scalable Reasoning via C3PO-Stabilized Reinforcement Learning for LLMs
We present Ring-lite, a Mixture-of-Experts (MoE)-based large language model optimized via reinforcement learning (RL) to achieve efficient and robust reasoning capabilities. Built upon the publicly available Ling-lite model, a 16.8 billion parameter model with 2.75 billion activated parameters, our approach matches the performance of state-of-the-art (SOTA) small-scale reasoning models on challenging benchmarks (e.g., AIME, LiveCodeBench, GPQA-Diamond) while activating only one-third of the parameters required by comparable models. To accomplish this, we introduce a joint training pipeline integrating distillation with RL, revealing undocumented challenges in MoE RL training. First, we identify optimization instability during RL training, and we propose Constrained Contextual Computation Policy Optimization(C3PO), a novel approach that enhances training stability and improves computational throughput via algorithm-system co-design methodology. Second, we empirically demonstrate that selecting distillation checkpoints based on entropy loss for RL training, rather than validation metrics, yields superior performance-efficiency trade-offs in subsequent RL training. Finally, we develop a two-stage training paradigm to harmonize multi-domain data integration, addressing domain conflicts that arise in training with mixed dataset. We will release the model, dataset, and code.
comment: Technical Report
☆ Capacity Matters: a Proof-of-Concept for Transformer Memorization on Real-World Data ACL 2025
This paper studies how the model architecture and data configurations influence the empirical memorization capacity of generative transformers. The models are trained using synthetic text datasets derived from the Systematized Nomenclature of Medicine (SNOMED) knowledge graph: triplets, representing static connections, and sequences, simulating complex relation patterns. The results show that embedding size is the primary determinant of learning speed and capacity, while additional layers provide limited benefits and may hinder performance on simpler datasets. Activation functions play a crucial role, and Softmax demonstrates greater stability and capacity. Furthermore, increasing the complexity of the data set seems to improve the final memorization. These insights improve our understanding of transformer memory mechanisms and provide a framework for optimizing model design with structured real-world data.
comment: This work has been accepted for publication at the First Workshop on Large Language Model Memorization (L2M2) at ACL 2025, Vienna, Austria
☆ Treasure Hunt: Real-time Targeting of the Long Tail using Training-Time Markers
One of the most profound challenges of modern machine learning is performing well on the long-tail of rare and underrepresented features. Large general-purpose models are trained for many tasks, but work best on high-frequency use cases. After training, it is hard to adapt a model to perform well on specific use cases underrepresented in the training corpus. Relying on prompt engineering or few-shot examples to maximize the output quality on a particular test case can be frustrating, as models can be highly sensitive to small changes, react in unpredicted ways or rely on a fixed system prompt for maintaining performance. In this work, we ask: "Can we optimize our training protocols to both improve controllability and performance on underrepresented use cases at inference time?" We revisit the divide between training and inference techniques to improve long-tail performance while providing users with a set of control levers the model is trained to be responsive to. We create a detailed taxonomy of data characteristics and task provenance to explicitly control generation attributes and implicitly condition generations at inference time. We fine-tune a base model to infer these markers automatically, which makes them optional at inference time. This principled and flexible approach yields pronounced improvements in performance, especially on examples from the long tail of the training distribution. While we observe an average lift of 5.7% win rates in open-ended generation quality with our markers, we see over 9.1% gains in underrepresented domains. We also observe relative lifts of up to 14.1% on underrepresented tasks like CodeRepair and absolute improvements of 35.3% on length instruction following evaluations.
☆ Massive Supervised Fine-tuning Experiments Reveal How Data, Layer, and Training Factors Shape LLM Alignment Quality
Supervised fine-tuning (SFT) is a critical step in aligning large language models (LLMs) with human instructions and values, yet many aspects of SFT remain poorly understood. We trained a wide range of base models on a variety of datasets including code generation, mathematical reasoning, and general-domain tasks, resulting in 1,000+ SFT models under controlled conditions. We then identified the dataset properties that matter most and examined the layer-wise modifications introduced by SFT. Our findings reveal that some training-task synergies persist across all models while others vary substantially, emphasizing the importance of model-specific strategies. Moreover, we demonstrate that perplexity consistently predicts SFT effectiveness--often surpassing superficial similarity between trained data and benchmark--and that mid-layer weight changes correlate most strongly with performance gains. We will release these 1,000+ SFT models and benchmark results to accelerate further research.
☆ GuiLoMo: Allocating Expert Number and Rank for LoRA-MoE via Bilevel Optimization with GuidedSelection Vectors
Parameter-efficient fine-tuning (PEFT) methods, particularly Low-Rank Adaptation (LoRA), offer an efficient way to adapt large language models with reduced computational costs. However, their performance is limited by the small number of trainable parameters. Recent work combines LoRA with the Mixture-of-Experts (MoE), i.e., LoRA-MoE, to enhance capacity, but two limitations remain in hindering the full exploitation of its potential: 1) the influence of downstream tasks when assigning expert numbers, and 2) the uniform rank assignment across all LoRA experts, which restricts representational diversity. To mitigate these gaps, we propose GuiLoMo, a fine-grained layer-wise expert numbers and ranks allocation strategy with GuidedSelection Vectors (GSVs). GSVs are learned via a prior bilevel optimization process to capture both model- and task-specific needs, and are then used to allocate optimal expert numbers and ranks. Experiments on three backbone models across diverse benchmarks show that GuiLoMo consistently achieves superior or comparable performance to all baselines. Further analysis offers key insights into how expert numbers and ranks vary across layers and tasks, highlighting the benefits of adaptive expert configuration. Our code is available at https://github.com/Liar406/Gui-LoMo.git.
☆ Passing the Turing Test in Political Discourse: Fine-Tuning LLMs to Mimic Polarized Social Media Comments
The increasing sophistication of large language models (LLMs) has sparked growing concerns regarding their potential role in exacerbating ideological polarization through the automated generation of persuasive and biased content. This study explores the extent to which fine-tuned LLMs can replicate and amplify polarizing discourse within online environments. Using a curated dataset of politically charged discussions extracted from Reddit, we fine-tune an open-source LLM to produce context-aware and ideologically aligned responses. The model's outputs are evaluated through linguistic analysis, sentiment scoring, and human annotation, with particular attention to credibility and rhetorical alignment with the original discourse. The results indicate that, when trained on partisan data, LLMs are capable of producing highly plausible and provocative comments, often indistinguishable from those written by humans. These findings raise significant ethical questions about the use of AI in political discourse, disinformation, and manipulation campaigns. The paper concludes with a discussion of the broader implications for AI governance, platform regulation, and the development of detection tools to mitigate adversarial fine-tuning risks.
☆ Revisiting Chain-of-Thought Prompting: Zero-shot Can Be Stronger than Few-shot
In-Context Learning (ICL) is an essential emergent ability of Large Language Models (LLMs), and recent studies introduce Chain-of-Thought (CoT) to exemplars of ICL to enhance the reasoning capability, especially in mathematics tasks. However, given the continuous advancement of model capabilities, it remains unclear whether CoT exemplars still benefit recent, stronger models in such tasks. Through systematic experiments, we find that for recent strong models such as the Qwen2.5 series, adding traditional CoT exemplars does not improve reasoning performance compared to Zero-Shot CoT. Instead, their primary function is to align the output format with human expectations. We further investigate the effectiveness of enhanced CoT exemplars, constructed using answers from advanced models such as \texttt{Qwen2.5-Max} and \texttt{DeepSeek-R1}. Experimental results indicate that these enhanced exemplars still fail to improve the model's reasoning performance. Further analysis reveals that models tend to ignore the exemplars and focus primarily on the instructions, leading to no observable gain in reasoning ability. Overall, our findings highlight the limitations of the current ICL+CoT framework in mathematical reasoning, calling for a re-examination of the ICL paradigm and the definition of exemplars.
comment: 19 pages,22 figures
☆ AIn't Nothing But a Survey? Using Large Language Models for Coding German Open-Ended Survey Responses on Survey Motivation
The recent development and wider accessibility of LLMs have spurred discussions about how they can be used in survey research, including classifying open-ended survey responses. Due to their linguistic capacities, it is possible that LLMs are an efficient alternative to time-consuming manual coding and the pre-training of supervised machine learning models. As most existing research on this topic has focused on English-language responses relating to non-complex topics or on single LLMs, it is unclear whether its findings generalize and how the quality of these classifications compares to established methods. In this study, we investigate to what extent different LLMs can be used to code open-ended survey responses in other contexts, using German data on reasons for survey participation as an example. We compare several state-of-the-art LLMs and several prompting approaches, and evaluate the LLMs' performance by using human expert codings. Overall performance differs greatly between LLMs, and only a fine-tuned LLM achieves satisfactory levels of predictive performance. Performance differences between prompting approaches are conditional on the LLM used. Finally, LLMs' unequal classification performance across different categories of reasons for survey participation results in different categorical distributions when not using fine-tuning. We discuss the implications of these findings, both for methodological research on coding open-ended responses and for their substantive analysis, and for practitioners processing or substantively analyzing such data. Finally, we highlight the many trade-offs researchers need to consider when choosing automated methods for open-ended response classification in the age of LLMs. In doing so, our study contributes to the growing body of research about the conditions under which LLMs can be efficiently, accurately, and reliably leveraged in survey research.
comment: to appear in Survey Research Methods
☆ VisText-Mosquito: A Multimodal Dataset and Benchmark for AI-Based Mosquito Breeding Site Detection and Reasoning
Mosquito-borne diseases pose a major global health risk, requiring early detection and proactive control of breeding sites to prevent outbreaks. In this paper, we present VisText-Mosquito, a multimodal dataset that integrates visual and textual data to support automated detection, segmentation, and reasoning for mosquito breeding site analysis. The dataset includes 1,828 annotated images for object detection, 142 images for water surface segmentation, and natural language reasoning texts linked to each image. The YOLOv9s model achieves the highest precision of 0.92926 and mAP@50 of 0.92891 for object detection, while YOLOv11n-Seg reaches a segmentation precision of 0.91587 and mAP@50 of 0.79795. For reasoning generation, our fine-tuned BLIP model achieves a final loss of 0.0028, with a BLEU score of 54.7, BERTScore of 0.91, and ROUGE-L of 0.87. This dataset and model framework emphasize the theme "Prevention is Better than Cure", showcasing how AI-based detection can proactively address mosquito-borne disease risks. The dataset and implementation code are publicly available at GitHub: https://github.com/adnanul-islam-jisun/VisText-Mosquito
☆ Probabilistic Aggregation and Targeted Embedding Optimization for Collective Moral Reasoning in Large Language Models
Large Language Models (LLMs) have shown impressive moral reasoning abilities. Yet they often diverge when confronted with complex, multi-factor moral dilemmas. To address these discrepancies, we propose a framework that synthesizes multiple LLMs' moral judgments into a collectively formulated moral judgment, realigning models that deviate significantly from this consensus. Our aggregation mechanism fuses continuous moral acceptability scores (beyond binary labels) into a collective probability, weighting contributions by model reliability. For misaligned models, a targeted embedding-optimization procedure fine-tunes token embeddings for moral philosophical theories, minimizing JS divergence to the consensus while preserving semantic integrity. Experiments on a large-scale social moral dilemma dataset show our approach builds robust consensus and improves individual model fidelity. These findings highlight the value of data-driven moral alignment across multiple models and its potential for safer, more consistent AI systems.
comment: 18 pages
☆ When Does Meaning Backfire? Investigating the Role of AMRs in NLI
Natural Language Inference (NLI) relies heavily on adequately parsing the semantic content of the premise and hypothesis. In this work, we investigate whether adding semantic information in the form of an Abstract Meaning Representation (AMR) helps pretrained language models better generalize in NLI. Our experiments integrating AMR into NLI in both fine-tuning and prompting settings show that the presence of AMR in fine-tuning hinders model generalization while prompting with AMR leads to slight gains in \texttt{GPT-4o}. However, an ablation study reveals that the improvement comes from amplifying surface-level differences rather than aiding semantic reasoning. This amplification can mislead models to predict non-entailment even when the core meaning is preserved.
comment: 9 pages, 2 figures
☆ Guaranteed Guess: A Language Modeling Approach for CISC-to-RISC Transpilation with Testing Guarantees
The hardware ecosystem is rapidly evolving, with increasing interest in translating low-level programs across different instruction set architectures (ISAs) in a quick, flexible, and correct way to enhance the portability and longevity of existing code. A particularly challenging class of this transpilation problem is translating between complex- (CISC) and reduced- (RISC) hardware architectures, due to fundamental differences in instruction complexity, memory models, and execution paradigms. In this work, we introduce GG (Guaranteed Guess), an ISA-centric transpilation pipeline that combines the translation power of pre-trained large language models (LLMs) with the rigor of established software testing constructs. Our method generates candidate translations using an LLM from one ISA to another, and embeds such translations within a software-testing framework to build quantifiable confidence in the translation. We evaluate our GG approach over two diverse datasets, enforce high code coverage (>98%) across unit tests, and achieve functional/semantic correctness of 99% on HumanEval programs and 49% on BringupBench programs, respectively. Further, we compare our approach to the state-of-the-art Rosetta 2 framework on Apple Silicon, showcasing 1.73x faster runtime performance, 1.47x better energy efficiency, and 2.41x better memory usage for our transpiled code, demonstrating the effectiveness of GG for real-world CISC-to-RISC translation tasks. We will open-source our codes, data, models, and benchmarks to establish a common foundation for ISA-level code translation research.
comment: Project page: https://ahmedheakl.github.io/Guaranteed-Guess/
☆ Computational Studies in Influencer Marketing: A Systematic Literature Review
Influencer marketing has become a crucial feature of digital marketing strategies. Despite its rapid growth and algorithmic relevance, the field of computational studies in influencer marketing remains fragmented, especially with limited systematic reviews covering the computational methodologies employed. This makes overarching scientific measurements in the influencer economy very scarce, to the detriment of interested stakeholders outside of platforms themselves, such as regulators, but also researchers from other fields. This paper aims to provide an overview of the state of the art of computational studies in influencer marketing by conducting a systematic literature review (SLR) based on the PRISMA model. The paper analyses 69 studies to identify key research themes, methodologies, and future directions in this research field. The review identifies four major research themes: Influencer identification and characterisation, Advertising strategies and engagement, Sponsored content analysis and discovery, and Fairness. Methodologically, the studies are categorised into machine learning-based techniques (e.g., classification, clustering) and non-machine-learning-based techniques (e.g., statistical analysis, network analysis). Key findings reveal a strong focus on optimising commercial outcomes, with limited attention to regulatory compliance and ethical considerations. The review highlights the need for more nuanced computational research that incorporates contextual factors such as language, platform, and industry type, as well as improved model explainability and dataset reproducibility. The paper concludes by proposing a multidisciplinary research agenda that emphasises the need for further links to regulation and compliance technology, finer granularity in analysis, and the development of standardised datasets.
comment: journal submission, under review
☆ GenerationPrograms: Fine-grained Attribution with Executable Programs
Recent large language models (LLMs) achieve impressive performance in source-conditioned text generation but often fail to correctly provide fine-grained attributions for their outputs, undermining verifiability and trust. Moreover, existing attribution methods do not explain how and why models leverage the provided source documents to generate their final responses, limiting interpretability. To overcome these challenges, we introduce a modular generation framework, GenerationPrograms, inspired by recent advancements in executable "code agent" architectures. Unlike conventional generation methods that simultaneously generate outputs and attributions or rely on post-hoc attribution, GenerationPrograms decomposes the process into two distinct stages: first, creating an executable program plan composed of modular text operations (such as paraphrasing, compression, and fusion) explicitly tailored to the query, and second, executing these operations following the program's specified instructions to produce the final response. Empirical evaluations demonstrate that GenerationPrograms significantly improves attribution quality at both the document level and sentence level across two long-form question-answering tasks and a multi-document summarization task. We further demonstrate that GenerationPrograms can effectively function as a post-hoc attribution method, outperforming traditional techniques in recovering accurate attributions. In addition, the interpretable programs generated by GenerationPrograms enable localized refinement through modular-level improvements that further enhance overall attribution quality.
comment: 27 Pages. Code: https://github.com/meetdavidwan/generationprograms
☆ TGDPO: Harnessing Token-Level Reward Guidance for Enhancing Direct Preference Optimization ICML 2025
Recent advancements in reinforcement learning from human feedback have shown that utilizing fine-grained token-level reward models can substantially enhance the performance of Proximal Policy Optimization (PPO) in aligning large language models. However, it is challenging to leverage such token-level reward as guidance for Direct Preference Optimization (DPO), since DPO is formulated as a sequence-level bandit problem. To address this challenge, this work decomposes the sequence-level PPO into a sequence of token-level proximal policy optimization problems and then frames the problem of token-level PPO with token-level reward guidance, from which closed-form optimal token-level policy and the corresponding token-level reward can be derived. Using the obtained reward and Bradley-Terry model, this work establishes a framework of computable loss functions with token-level reward guidance for DPO, and proposes a practical reward guidance based on the induced DPO reward. This formulation enables different tokens to exhibit varying degrees of deviation from reference policy based on their respective rewards. Experiment results demonstrate that our method achieves substantial performance improvements over DPO, with win rate gains of up to 7.5 points on MT-Bench, 6.2 points on AlpacaEval 2, and 4.3 points on Arena-Hard. Code is available at https://github.com/dvlab-research/TGDPO.
comment: ICML 2025
☆ AlphaDecay:Module-wise Weight Decay for Heavy-Tailed Balancing in LLMs
Weight decay is a standard regularization technique for training large language models (LLMs). While it is common to assign a uniform decay rate to every layer, this approach overlooks the structural diversity of LLMs and the varying spectral properties across modules. In this paper, we introduce AlphaDecay, a simple yet effective method that adaptively assigns different weight decay strengths to each module of an LLM. Our approach is guided by Heavy-Tailed Self-Regularization (HT-SR) theory, which analyzes the empirical spectral density (ESD) of weight correlation matrices to quantify "heavy-tailedness." Modules exhibiting more pronounced heavy-tailed ESDs, reflecting stronger feature learning, are assigned weaker decay, while modules with lighter-tailed spectra receive stronger decay. Our method leverages tailored weight decay assignments to balance the module-wise differences in spectral properties, leading to improved performance. Extensive pre-training tasks with various model sizes from 60M to 1B demonstrate that AlphaDecay achieves better perplexity and generalization than conventional uniform decay and other adaptive decay baselines.
☆ M2BeamLLM: Multimodal Sensing-empowered mmWave Beam Prediction with Large Language Models
This paper introduces a novel neural network framework called M2BeamLLM for beam prediction in millimeter-wave (mmWave) massive multi-input multi-output (mMIMO) communication systems. M2BeamLLM integrates multi-modal sensor data, including images, radar, LiDAR, and GPS, leveraging the powerful reasoning capabilities of large language models (LLMs) such as GPT-2 for beam prediction. By combining sensing data encoding, multimodal alignment and fusion, and supervised fine-tuning (SFT), M2BeamLLM achieves significantly higher beam prediction accuracy and robustness, demonstrably outperforming traditional deep learning (DL) models in both standard and few-shot scenarios. Furthermore, its prediction performance consistently improves with increased diversity in sensing modalities. Our study provides an efficient and intelligent beam prediction solution for vehicle-to-infrastructure (V2I) mmWave communication systems.
comment: 13 pages, 20 figures
☆ LingoLoop Attack: Trapping MLLMs via Linguistic Context and State Entrapment into Endless Loops
Multimodal Large Language Models (MLLMs) have shown great promise but require substantial computational resources during inference. Attackers can exploit this by inducing excessive output, leading to resource exhaustion and service degradation. Prior energy-latency attacks aim to increase generation time by broadly shifting the output token distribution away from the EOS token, but they neglect the influence of token-level Part-of-Speech (POS) characteristics on EOS and sentence-level structural patterns on output counts, limiting their efficacy. To address this, we propose LingoLoop, an attack designed to induce MLLMs to generate excessively verbose and repetitive sequences. First, we find that the POS tag of a token strongly affects the likelihood of generating an EOS token. Based on this insight, we propose a POS-Aware Delay Mechanism to postpone EOS token generation by adjusting attention weights guided by POS information. Second, we identify that constraining output diversity to induce repetitive loops is effective for sustained generation. We introduce a Generative Path Pruning Mechanism that limits the magnitude of hidden states, encouraging the model to produce persistent loops. Extensive experiments demonstrate LingoLoop can increase generated tokens by up to 30 times and energy consumption by a comparable factor on models like Qwen2.5-VL-3B, consistently driving MLLMs towards their maximum generation limits. These findings expose significant MLLMs' vulnerabilities, posing challenges for their reliable deployment. The code will be released publicly following the paper's acceptance.
☆ LexiMark: Robust Watermarking via Lexical Substitutions to Enhance Membership Verification of an LLM's Textual Training Data
Large language models (LLMs) can be trained or fine-tuned on data obtained without the owner's consent. Verifying whether a specific LLM was trained on particular data instances or an entire dataset is extremely challenging. Dataset watermarking addresses this by embedding identifiable modifications in training data to detect unauthorized use. However, existing methods often lack stealth, making them relatively easy to detect and remove. In light of these limitations, we propose LexiMark, a novel watermarking technique designed for text and documents, which embeds synonym substitutions for carefully selected high-entropy words. Our method aims to enhance an LLM's memorization capabilities on the watermarked text without altering the semantic integrity of the text. As a result, the watermark is difficult to detect, blending seamlessly into the text with no visible markers, and is resistant to removal due to its subtle, contextually appropriate substitutions that evade automated and manual detection. We evaluated our method using baseline datasets from recent studies and seven open-source models: LLaMA-1 7B, LLaMA-3 8B, Mistral 7B, Pythia 6.9B, as well as three smaller variants from the Pythia family (160M, 410M, and 1B). Our evaluation spans multiple training settings, including continued pretraining and fine-tuning scenarios. The results demonstrate significant improvements in AUROC scores compared to existing methods, underscoring our method's effectiveness in reliably verifying whether unauthorized watermarked data was used in LLM training.
☆ How Far Can LLMs Improve from Experience? Measuring Test-Time Learning Ability in LLMs with Human Comparison
As evaluation designs of large language models may shape our trajectory toward artificial general intelligence, comprehensive and forward-looking assessment is essential. Existing benchmarks primarily assess static knowledge, while intelligence also entails the ability to rapidly learn from experience. To this end, we advocate for the evaluation of Test-time Learning, the capacity to improve performance in experience-based, reasoning-intensive tasks during test time. In this work, we propose semantic games as effective testbeds for evaluating test-time learning, due to their resistance to saturation and inherent demand for strategic reasoning. We introduce an objective evaluation framework that compares model performance under both limited and cumulative experience settings, and contains four forms of experience representation. To provide a comparative baseline, we recruit eight human participants to complete the same task. Results show that LLMs exhibit measurable test-time learning capabilities; however, their improvements are less stable under cumulative experience and progress more slowly than those observed in humans. These findings underscore the potential of LLMs as general-purpose learning machines, while also revealing a substantial intellectual gap between models and humans, irrespective of how well LLMs perform on static benchmarks.
☆ LongLLaDA: Unlocking Long Context Capabilities in Diffusion LLMs
Large Language Diffusion Models, or diffusion LLMs, have emerged as a significant focus in NLP research, with substantial effort directed toward understanding their scalability and downstream task performance. However, their long-context capabilities remain unexplored, lacking systematic analysis or methods for context extension. In this work, we present the first systematic investigation comparing the long-context performance of diffusion LLMs and traditional auto-regressive LLMs. We first identify a unique characteristic of diffusion LLMs, unlike auto-regressive LLMs, they maintain remarkably \textbf{\textit{stable perplexity}} during direct context extrapolation. Furthermore, where auto-regressive models fail outright during the Needle-In-A-Haystack task with context exceeding their pretrained length, we discover diffusion LLMs exhibit a distinct \textbf{\textit{local perception}} phenomenon, enabling successful retrieval from recent context segments. We explain both phenomena through the lens of Rotary Position Embedding (RoPE) scaling theory. Building on these observations, we propose LongLLaDA, a training-free method that integrates LLaDA with the NTK-based RoPE extrapolation. Our results validate that established extrapolation scaling laws remain effective for extending the context windows of diffusion LLMs. Furthermore, we identify long-context tasks where diffusion LLMs outperform auto-regressive LLMs and others where they fall short. Consequently, this study establishes the first context extrapolation method for diffusion LLMs while providing essential theoretical insights and empirical benchmarks critical for advancing future research on long-context diffusion LLMs.
comment: 16 pages, 12 figures, work in progress
☆ ImpliRet: Benchmarking the Implicit Fact Retrieval Challenge
Retrieval systems are central to many NLP pipelines, but often rely on surface-level cues such as keyword overlap and lexical semantic similarity. To evaluate retrieval beyond these shallow signals, recent benchmarks introduce reasoning-heavy queries; however, they primarily shift the burden to query-side processing techniques -- like prompting or multi-hop retrieval -- that can help resolve complexity. In contrast, we present ImpliRet, a benchmark that shifts the reasoning challenge to document-side processing: The queries are simple, but relevance depends on facts stated implicitly in documents through temporal (e.g., resolving "two days ago"), arithmetic, and world knowledge relationships. We evaluate a range of sparse and dense retrievers, all of which struggle in this setting: the best nDCG@10 is only 15.07%. We also test whether long-context models can overcome this limitation. But even with a short context of only ten documents, including the positive document, GPT-4.1 scores only 35.06%, showing that document-side reasoning remains a challenge. Our codes are available at github.com/ZeinabTaghavi/IMPLIRET.Contribution.
☆ Thunder-NUBench: A Benchmark for LLMs' Sentence-Level Negation Understanding
Negation is a fundamental linguistic phenomenon that poses persistent challenges for Large Language Models (LLMs), particularly in tasks requiring deep semantic understanding. Existing benchmarks often treat negation as a side case within broader tasks like natural language inference, resulting in a lack of benchmarks that exclusively target negation understanding. In this work, we introduce \textbf{Thunder-NUBench}, a novel benchmark explicitly designed to assess sentence-level negation understanding in LLMs. Thunder-NUBench goes beyond surface-level cue detection by contrasting standard negation with structurally diverse alternatives such as local negation, contradiction, and paraphrase. The benchmark consists of manually curated sentence-negation pairs and a multiple-choice dataset that enables in-depth evaluation of models' negation understanding.
☆ ELLIS Alicante at CQs-Gen 2025: Winning the critical thinking questions shared task: LLM-based question generation and selection
The widespread adoption of chat interfaces based on Large Language Models (LLMs) raises concerns about promoting superficial learning and undermining the development of critical thinking skills. Instead of relying on LLMs purely for retrieving factual information, this work explores their potential to foster deeper reasoning by generating critical questions that challenge unsupported or vague claims in debate interventions. This study is part of a shared task of the 12th Workshop on Argument Mining, co-located with ACL 2025, focused on automatic critical question generation. We propose a two-step framework involving two small-scale open source language models: a Questioner that generates multiple candidate questions and a Judge that selects the most relevant ones. Our system ranked first in the shared task competition, demonstrating the potential of the proposed LLM-based approach to encourage critical engagement with argumentative texts.
comment: Proceedings of the 12th Workshop on Argument Mining
☆ Digital Gatekeepers: Google's Role in Curating Hashtags and Subreddits ACL 2025
Search engines play a crucial role as digital gatekeepers, shaping the visibility of Web and social media content through algorithmic curation. This study investigates how search engines like Google selectively promotes or suppresses certain hashtags and subreddits, impacting the information users encounter. By comparing search engine results with nonsampled data from Reddit and Twitter/X, we reveal systematic biases in content visibility. Google's algorithms tend to suppress subreddits and hashtags related to sexually explicit material, conspiracy theories, advertisements, and cryptocurrencies, while promoting content associated with higher engagement. These findings suggest that Google's gatekeeping practices influence public discourse by curating the social media narratives available to users.
comment: Accepted to ACL 2025 Main
☆ A Vision for Geo-Temporal Deep Research Systems: Towards Comprehensive, Transparent, and Reproducible Geo-Temporal Information Synthesis
The emergence of Large Language Models (LLMs) has transformed information access, with current LLMs also powering deep research systems that can generate comprehensive report-style answers, through planned iterative search, retrieval, and reasoning. Still, current deep research systems lack the geo-temporal capabilities that are essential for answering context-rich questions involving geographic and/or temporal constraints, frequently occurring in domains like public health, environmental science, or socio-economic analysis. This paper reports our vision towards next generation systems, identifying important technical, infrastructural, and evaluative challenges in integrating geo-temporal reasoning into deep research pipelines. We argue for augmenting retrieval and synthesis processes with the ability to handle geo-temporal constraints, supported by open and reproducible infrastructures and rigorous evaluation protocols. Our vision outlines a path towards more advanced and geo-temporally aware deep research systems, of potential impact to the future of AI-driven information access.
☆ Evaluation Should Not Ignore Variation: On the Impact of Reference Set Choice on Summarization Metrics
Human language production exhibits remarkable richness and variation, reflecting diverse communication styles and intents. However, this variation is often overlooked in summarization evaluation. While having multiple reference summaries is known to improve correlation with human judgments, the impact of using different reference sets on reference-based metrics has not been systematically investigated. This work examines the sensitivity of widely used reference-based metrics in relation to the choice of reference sets, analyzing three diverse multi-reference summarization datasets: SummEval, GUMSum, and DUC2004. We demonstrate that many popular metrics exhibit significant instability. This instability is particularly concerning for n-gram-based metrics like ROUGE, where model rankings vary depending on the reference sets, undermining the reliability of model comparisons. We also collect human judgments on LLM outputs for genre-diverse data and examine their correlation with metrics to supplement existing findings beyond newswire summaries, finding weak-to-no correlation. Taken together, we recommend incorporating reference set variation into summarization evaluation to enhance consistency alongside correlation with human judgments, especially when evaluating LLMs.
comment: 17 pages, 13 figures
☆ Expectation Confirmation Preference Optimization for Multi-Turn Conversational Recommendation Agent ACL 2025
Recent advancements in Large Language Models (LLMs) have significantly propelled the development of Conversational Recommendation Agents (CRAs). However, these agents often generate short-sighted responses that fail to sustain user guidance and meet expectations. Although preference optimization has proven effective in aligning LLMs with user expectations, it remains costly and performs poorly in multi-turn dialogue. To address this challenge, we introduce a novel multi-turn preference optimization (MTPO) paradigm ECPO, which leverages Expectation Confirmation Theory to explicitly model the evolution of user satisfaction throughout multi-turn dialogues, uncovering the underlying causes of dissatisfaction. These causes can be utilized to support targeted optimization of unsatisfactory responses, thereby achieving turn-level preference optimization. ECPO ingeniously eliminates the significant sampling overhead of existing MTPO methods while ensuring the optimization process drives meaningful improvements. To support ECPO, we introduce an LLM-based user simulator, AILO, to simulate user feedback and perform expectation confirmation during conversational recommendations. Experimental results show that ECPO significantly enhances CRA's interaction capabilities, delivering notable improvements in both efficiency and effectiveness over existing MTPO methods.
comment: Accepted to Findings of ACL 2025
☆ From What to Respond to When to Respond: Timely Response Generation for Open-domain Dialogue Agents
While research on dialogue response generation has primarily focused on generating coherent responses conditioning on textual context, the critical question of when to respond grounded on the temporal context remains underexplored. To bridge this gap, we propose a novel task called timely dialogue response generation and introduce the TimelyChat benchmark, which evaluates the capabilities of language models to predict appropriate time intervals and generate time-conditioned responses. Additionally, we construct a large-scale training dataset by leveraging unlabeled event knowledge from a temporal commonsense knowledge graph and employing a large language model (LLM) to synthesize 55K event-driven dialogues. We then train Timer, a dialogue agent designed to proactively predict time intervals and generate timely responses that align with those intervals. Experimental results show that Timer outperforms prompting-based LLMs and other fine-tuned baselines in both turn-level and dialogue-level evaluations. We publicly release our data, model, and code.
comment: Work in progress
☆ Improving LoRA with Variational Learning
Bayesian methods have recently been used to improve LoRA finetuning and, although they improve calibration, their effect on other metrics (such as accuracy) is marginal and can sometimes even be detrimental. Moreover, Bayesian methods also increase computational overheads and require additional tricks for them to work well. Here, we fix these issues by using a recently proposed variational algorithm called IVON. We show that IVON is easy to implement and has similar costs to AdamW, and yet it can also drastically improve many metrics by using a simple posterior pruning technique. We present extensive results on billion-scale LLMs (Llama and Qwen series) going way beyond the scale of existing applications of IVON. For example, we finetune a Llama-3.2-3B model on a set of commonsense reasoning tasks and improve accuracy over AdamW by 1.3% and reduce ECE by 5.4%, outperforming AdamW and other recent Bayesian methods like Laplace-LoRA and BLoB. Overall, our results show that variational learning with IVON can effectively improve LoRA finetuning.
comment: 16 pages, 4 figures
☆ Re-Initialization Token Learning for Tool-Augmented Large Language Models
Large language models have demonstrated exceptional performance, yet struggle with complex tasks such as numerical reasoning, plan generation. Integrating external tools, such as calculators and databases, into large language models (LLMs) is crucial for enhancing problem-solving capabilities. Current methods assign a unique token to each tool, enabling LLMs to call tools through token prediction-similar to word generation. However, this approach fails to account for the relationship between tool and word tokens, limiting adaptability within pre-trained LLMs. To address this issue, we propose a novel token learning method that aligns tool tokens with the existing word embedding space from the perspective of initialization, thereby enhancing model performance. We begin by constructing prior token embeddings for each tool based on the tool's name or description, which are used to initialize and regularize the learnable tool token embeddings. This ensures the learned embeddings are well-aligned with the word token space, improving tool call accuracy. We evaluate the method on tasks such as numerical reasoning, knowledge-based question answering, and embodied plan generation using GSM8K-XL, FuncQA, KAMEL, and VirtualHome datasets. The results demonstrate clear improvements over recent baselines, including CoT, REACT, ICL, and ToolkenGPT, indicating that our approach effectively augments LLMs with tools through relevant tokens across diverse domains.
☆ Reinforcement Learning with Verifiable Rewards Implicitly Incentivizes Correct Reasoning in Base LLMs
Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a promising paradigm for advancing the reasoning capabilities of Large Language Models (LLMs). However, a critical paradox clouds its efficacy: RLVR-tuned models often underperform their base models on the $Pass@K$ metric for solution-finding, leading to the hypothesis that RLVR merely re-weights existing reasoning paths at the cost of reasoning diversity. In this work, we resolve this contradiction by identifying the source of the problem: the $Pass@K$ metric itself is a flawed measure of reasoning, as it credits correct final answers that probably arise from inaccurate or incomplete chains of thought (CoTs). To address this, we introduce a more precise evaluation metric, $CoT$-$Pass@K$, which mandates that both the reasoning path and the final answer be correct. We provide a new theoretical foundation that formalizes how RLVR, unlike traditional RL, is uniquely structured to incentivize logical integrity. Our empirical results are supportive: using $CoT$-$Pass@K$, we observe that RLVR can incentivize the generalization of correct reasoning for all values of $K$. Furthermore, by analyzing the training dynamics, we find that this enhanced reasoning capability emerges early in the training process and smoothly generalizes. Our work provides a clear perspective on the role of RLVR, offers a more reliable method for its evaluation, and confirms its potential to genuinely advance machine reasoning.
comment: Preprint
☆ A Multi-Expert Structural-Semantic Hybrid Framework for Unveiling Historical Patterns in Temporal Knowledge Graphs ACL25
Temporal knowledge graph reasoning aims to predict future events with knowledge of existing facts and plays a key role in various downstream tasks. Previous methods focused on either graph structure learning or semantic reasoning, failing to integrate dual reasoning perspectives to handle different prediction scenarios. Moreover, they lack the capability to capture the inherent differences between historical and non-historical events, which limits their generalization across different temporal contexts. To this end, we propose a Multi-Expert Structural-Semantic Hybrid (MESH) framework that employs three kinds of expert modules to integrate both structural and semantic information, guiding the reasoning process for different events. Extensive experiments on three datasets demonstrate the effectiveness of our approach.
comment: ACL25 findings
☆ Xolver: Multi-Agent Reasoning with Holistic Experience Learning Just Like an Olympiad Team
Despite impressive progress on complex reasoning, current large language models (LLMs) typically operate in isolation - treating each problem as an independent attempt, without accumulating or integrating experiential knowledge. In contrast, expert problem solvers - such as Olympiad or programming contest teams - leverage a rich tapestry of experiences: absorbing mentorship from coaches, developing intuition from past problems, leveraging knowledge of tool usage and library functionality, adapting strategies based on the expertise and experiences of peers, continuously refining their reasoning through trial and error, and learning from other related problems even during competition. We introduce Xolver, a training-free multi-agent reasoning framework that equips a black-box LLM with a persistent, evolving memory of holistic experience. Xolver integrates diverse experience modalities, including external and self-retrieval, tool use, collaborative interactions, agent-driven evaluation, and iterative refinement. By learning from relevant strategies, code fragments, and abstract reasoning patterns at inference time, Xolver avoids generating solutions from scratch - marking a transition from isolated inference toward experience-aware language agents. Built on both open-weight and proprietary models, Xolver consistently outperforms specialized reasoning agents. Even with lightweight backbones (e.g., QWQ-32B), it often surpasses advanced models including Qwen3-235B, Gemini 2.5 Pro, o3, and o4-mini-high. With o3-mini-high, it achieves new best results on GSM8K (98.1%), AIME'24 (94.4%), AIME'25 (93.7%), Math-500 (99.8%), and LiveCodeBench-V5 (91.6%) - highlighting holistic experience learning as a key step toward generalist agents capable of expert-level reasoning. Code and data are available at https://kagnlp.github.io/xolver.github.io/.
☆ Fretting-Transformer: Encoder-Decoder Model for MIDI to Tablature Transcription
Music transcription plays a pivotal role in Music Information Retrieval (MIR), particularly for stringed instruments like the guitar, where symbolic music notations such as MIDI lack crucial playability information. This contribution introduces the Fretting-Transformer, an encoderdecoder model that utilizes a T5 transformer architecture to automate the transcription of MIDI sequences into guitar tablature. By framing the task as a symbolic translation problem, the model addresses key challenges, including string-fret ambiguity and physical playability. The proposed system leverages diverse datasets, including DadaGP, GuitarToday, and Leduc, with novel data pre-processing and tokenization strategies. We have developed metrics for tablature accuracy and playability to quantitatively evaluate the performance. The experimental results demonstrate that the Fretting-Transformer surpasses baseline methods like A* and commercial applications like Guitar Pro. The integration of context-sensitive processing and tuning/capo conditioning further enhances the model's performance, laying a robust foundation for future developments in automated guitar transcription.
comment: Accepted to the 50th International Computer Music Conference (ICMC), 2025
☆ Chaining Event Spans for Temporal Relation Grounding
Accurately understanding temporal relations between events is a critical building block of diverse tasks, such as temporal reading comprehension (TRC) and relation extraction (TRE). For example in TRC, we need to understand the temporal semantic differences between the following two questions that are lexically near-identical: "What finished right before the decision?" or "What finished right after the decision?". To discern the two questions, existing solutions have relied on answer overlaps as a proxy label to contrast similar and dissimilar questions. However, we claim that answer overlap can lead to unreliable results, due to spurious overlaps of two dissimilar questions with coincidentally identical answers. To address the issue, we propose a novel approach that elicits proper reasoning behaviors through a module for predicting time spans of events. We introduce the Timeline Reasoning Network (TRN) operating in a two-step inductive reasoning process: In the first step model initially answers each question with semantic and syntactic information. The next step chains multiple questions on the same event to predict a timeline, which is then used to ground the answers. Results on the TORQUE and TB-dense, TRC and TRE tasks respectively, demonstrate that TRN outperforms previous methods by effectively resolving the spurious overlaps using the predicted timeline.
comment: In Proceedings of the 18th Conference of the European Chapter of the Association for Computational Linguistics (Volume 1: Long Papers), pages 1689-1700
☆ Explainable Detection of Implicit Influential Patterns in Conversations via Data Augmentation
In the era of digitalization, as individuals increasingly rely on digital platforms for communication and news consumption, various actors employ linguistic strategies to influence public perception. While models have become proficient at detecting explicit patterns, which typically appear in texts as single remarks referred to as utterances, such as social media posts, malicious actors have shifted toward utilizing implicit influential verbal patterns embedded within conversations. These verbal patterns aim to mentally penetrate the victim's mind in order to influence them, enabling the actor to obtain the desired information through implicit means. This paper presents an improved approach for detecting such implicit influential patterns. Furthermore, the proposed model is capable of identifying the specific locations of these influential elements within a conversation. To achieve this, the existing dataset was augmented using the reasoning capabilities of state-of-the-art language models. Our designed framework resulted in a 6% improvement in the detection of implicit influential patterns in conversations. Moreover, this approach improved the multi-label classification tasks related to both the techniques used for influence and the vulnerability of victims by 33% and 43%, respectively.
comment: Accepted at the HCI International conference 2025
☆ CausalDiffTab: Mixed-Type Causal-Aware Diffusion for Tabular Data Generation
Training data has been proven to be one of the most critical components in training generative AI. However, obtaining high-quality data remains challenging, with data privacy issues presenting a significant hurdle. To address the need for high-quality data. Synthesize data has emerged as a mainstream solution, demonstrating impressive performance in areas such as images, audio, and video. Generating mixed-type data, especially high-quality tabular data, still faces significant challenges. These primarily include its inherent heterogeneous data types, complex inter-variable relationships, and intricate column-wise distributions. In this paper, we introduce CausalDiffTab, a diffusion model-based generative model specifically designed to handle mixed tabular data containing both numerical and categorical features, while being more flexible in capturing complex interactions among variables. We further propose a hybrid adaptive causal regularization method based on the principle of Hierarchical Prior Fusion. This approach adaptively controls the weight of causal regularization, enhancing the model's performance without compromising its generative capabilities. Comprehensive experiments conducted on seven datasets demonstrate that CausalDiffTab outperforms baseline methods across all metrics. Our code is publicly available at: https://github.com/Godz-z/CausalDiffTab.
AgentSynth: Scalable Task Generation for Generalist Computer-Use Agents
We introduce AgentSynth, a scalable and cost-efficient pipeline for automatically synthesizing high-quality tasks and trajectory datasets for generalist computer-use agents. Leveraging information asymmetry, AgentSynth constructs subtasks that are simple during generation but significantly more challenging when composed into long-horizon tasks, enabling the creation of over 6,000 diverse and realistic tasks. Our pipeline begins with an LLM-based task proposer guided by a persona, followed by an execution agent that completes the task and logs the trajectory. This process is repeated iteratively to form a sequence of subtasks, which are then summarized by a separate agent into a composite task of controllable difficulty. A key strength of AgentSynth is its ability to precisely modulate task complexity by varying the number of subtasks. Empirical evaluations show that state-of-the-art LLM agents suffer a steep performance drop, from 18% success at difficulty level 1 to just 4% at level 6, highlighting the benchmark's difficulty and discriminative power. Moreover, our pipeline achieves a low average cost of \$0.60 per trajectory, orders of magnitude cheaper than human annotations. Our code and data are publicly available at https://github.com/sunblaze-ucb/AgentSynth
☆ Improving Practical Aspects of End-to-End Multi-Talker Speech Recognition for Online and Offline Scenarios
We extend the frameworks of Serialized Output Training (SOT) to address practical needs of both streaming and offline automatic speech recognition (ASR) applications. Our approach focuses on balancing latency and accuracy, catering to real-time captioning and summarization requirements. We propose several key improvements: (1) Leveraging Continuous Speech Separation (CSS) single-channel front-end with end-to-end (E2E) systems for highly overlapping scenarios, challenging the conventional wisdom of E2E versus cascaded setups. The CSS framework improves the accuracy of the ASR system by separating overlapped speech from multiple speakers. (2) Implementing dual models -- Conformer Transducer for streaming and Sequence-to-Sequence for offline -- or alternatively, a two-pass model based on cascaded encoders. (3) Exploring segment-based SOT (segSOT) which is better suited for offline scenarios while also enhancing readability of multi-talker transcriptions.
comment: Accepted to Interspeech 2025
☆ Intended Target Identification for Anomia Patients with Gradient-based Selective Augmentation EMNLP 2024
In this study, we investigate the potential of language models (LMs) in aiding patients experiencing anomia, a difficulty identifying the names of items. Identifying the intended target item from patient's circumlocution involves the two challenges of term failure and error: (1) The terms relevant to identifying the item remain unseen. (2) What makes the challenge unique is inherent perturbed terms by semantic paraphasia, which are not exactly related to the target item, hindering the identification process. To address each, we propose robustifying the model from semantically paraphasic errors and enhancing the model with unseen terms with gradient-based selective augmentation. Specifically, the gradient value controls augmented data quality amid semantic errors, while the gradient variance guides the inclusion of unseen but relevant terms. Due to limited domain-specific datasets, we evaluate the model on the Tip-of-the-Tongue dataset as an intermediary task and then apply our findings to real patient data from AphasiaBank. Our results demonstrate strong performance against baselines, aiding anomia patients by addressing the outlined challenges.
comment: EMNLP 2024 Findings (long)
☆ ELI-Why: Evaluating the Pedagogical Utility of Language Model Explanations ACL 2025
Language models today are widely used in education, yet their ability to tailor responses for learners with varied informational needs and knowledge backgrounds remains under-explored. To this end, we introduce ELI-Why, a benchmark of 13.4K "Why" questions to evaluate the pedagogical capabilities of language models. We then conduct two extensive human studies to assess the utility of language model-generated explanatory answers (explanations) on our benchmark, tailored to three distinct educational grades: elementary, high-school and graduate school. In our first study, human raters assume the role of an "educator" to assess model explanations' fit to different educational grades. We find that GPT-4-generated explanations match their intended educational background only 50% of the time, compared to 79% for lay human-curated explanations. In our second study, human raters assume the role of a learner to assess if an explanation fits their own informational needs. Across all educational backgrounds, users deemed GPT-4-generated explanations 20% less suited on average to their informational needs, when compared to explanations curated by lay people. Additionally, automated evaluation metrics reveal that explanations generated across different language model families for different informational needs remain indistinguishable in their grade-level, limiting their pedagogical effectiveness.
comment: Findings of ACL 2025
♻ ☆ Chain-of-Thought Reasoning In The Wild Is Not Always Faithful ICLR 25
Chain-of-Thought (CoT) reasoning has significantly advanced state-of-the-art AI capabilities. However, recent studies have shown that CoT reasoning is not always faithful when models face an explicit bias in their prompts, i.e., the CoT can give an incorrect picture of how models arrive at conclusions. We go further and show that unfaithful CoT can also occur on realistic prompts with no artificial bias. We find that when separately presented with the questions "Is X bigger than Y?" and "Is Y bigger than X?", models sometimes produce superficially coherent arguments to justify systematically answering Yes to both questions or No to both questions, despite such responses being logically contradictory. We show preliminary evidence that this is due to models' implicit biases towards Yes or No, thus labeling this unfaithfulness as Implicit Post-Hoc Rationalization. Our results reveal that several production models exhibit surprisingly high rates of post-hoc rationalization in our settings: GPT-4o-mini (13%) and Haiku 3.5 (7%). While frontier models are more faithful, especially thinking ones, none are entirely faithful: Gemini 2.5 Flash (2.17%), ChatGPT-4o (0.49%), DeepSeek R1 (0.37%), Gemini 2.5 Pro (0.14%), and Sonnet 3.7 with thinking (0.04%). We also investigate Unfaithful Illogical Shortcuts, where models use subtly illogical reasoning to try to make a speculative answer to hard maths problems seem rigorously proven. Our findings raise challenges for strategies for detecting undesired behavior in LLMs via the chain of thought.
comment: Accepted to the Reasoning and Planning for LLMs Workshop (ICLR 25), 10 main paper pages, 39 appendix pages
♻ ☆ Controllable and Reliable Knowledge-Intensive Task-Oriented Conversational Agents with Declarative Genie Worksheets ACL 2025
Large Language Models can carry out human-like conversations in diverse settings, responding to user requests for tasks and knowledge. However, existing conversational agents implemented with LLMs often struggle with hallucination, following instructions with conditional logic, and integrating knowledge from different sources. These shortcomings compromise the agents' effectiveness, rendering them unsuitable for deployment. To address these challenges, we introduce Genie, a programmable framework for creating knowledge-intensive task-oriented conversational agents. Genie can handle involved interactions and answer complex queries. Unlike LLMs, it delivers reliable, grounded responses through advanced dialogue state management and supports controllable agent policies via its declarative specification -- Genie Worksheet. This is achieved through an algorithmic runtime system that implements the developer-supplied policy, limiting LLMs to (1) parse user input using a succinct conversational history, and (2) generate responses according to supplied context. Agents built with Genie outperform SOTA methods on complex logic dialogue datasets. We conducted a user study with 62 participants on three real-life applications: restaurant reservations with Yelp, as well as ticket submission and course enrollment for university students. Genie agents with GPT-4 Turbo outperformed the GPT-4 Turbo agents with function calling, improving goal completion rates from 21.8% to 82.8% across three real-world tasks.
comment: Accepted at ACL 2025
♻ ☆ SOPBench: Evaluating Language Agents at Following Standard Operating Procedures and Constraints
As language agents increasingly automate critical tasks, their ability to follow domain-specific standard operating procedures (SOPs), policies, and constraints when taking actions and making tool calls becomes essential yet remains underexplored. To address this gap, we develop an automated evaluation pipeline SOPBench with: (1) executable environments containing 167 tools/functions across seven customer service domains with service-specific SOPs and rule-based verifiers, (2) an automated test generation framework producing over 900 verified test cases, and (3) an automated evaluation framework to rigorously assess agent adherence from multiple dimensions. Our approach transforms each service-specific SOP code program into a directed graph of executable functions and requires agents to call these functions based on natural language SOP descriptions. The original code serves as oracle rule-based verifiers to assess compliance, reducing reliance on manual annotations and LLM-based evaluations. We evaluate 18 leading models, and results show the task is challenging even for top-tier models (like GPT-4o, Claude-3.7-Sonnet), with variances across domains. Reasoning models like o4-mini-high show superiority while other powerful models perform less effectively (pass rates of 30%-50%), and small models (7B, 8B) perform significantly worse. Additionally, language agents can be easily jailbroken to overlook SOPs and constraints. Code, data, and over 24k agent trajectories are released at https://github.com/Leezekun/SOPBench.
comment: Code, data, and over 24k agent trajectories are released at https://github.com/Leezekun/SOPBench
♻ ☆ Towards Better Open-Ended Text Generation: A Multicriteria Evaluation Framework ACL 2025
Open-ended text generation has become a prominent task in natural language processing due to the rise of powerful (large) language models. However, evaluating the quality of these models and the employed decoding strategies remains challenging due to trade-offs among widely used metrics such as coherence, diversity, and perplexity. This paper addresses the specific problem of multicriteria evaluation for open-ended text generation, proposing novel methods for both relative and absolute rankings of decoding methods. Specifically, we employ benchmarking approaches based on partial orderings and present a new summary metric to balance existing automatic indicators, providing a more holistic evaluation of text generation quality. Our experiments demonstrate that the proposed approaches offer a robust way to compare decoding strategies and serve as valuable tools to guide model selection for open-ended text generation tasks. We suggest future directions for improving evaluation methodologies in text generation and make our code, datasets, and models publicly available.
comment: Accepted at the $GEM^2$ Workshop (co-located with ACL 2025)
♻ ☆ Leveraging Large Language Models to Measure Gender Representation Bias in Gendered Language Corpora ACL 2025
Large language models (LLMs) often inherit and amplify social biases embedded in their training data. A prominent social bias is gender bias. In this regard, prior work has mainly focused on gender stereotyping bias - the association of specific roles or traits with a particular gender - in English and on evaluating gender bias in model embeddings or generated outputs. In contrast, gender representation bias - the unequal frequency of references to individuals of different genders - in the training corpora has received less attention. Yet such imbalances in the training data constitute an upstream source of bias that can propagate and intensify throughout the entire model lifecycle. To fill this gap, we propose a novel LLM-based method to detect and quantify gender representation bias in LLM training data in gendered languages, where grammatical gender challenges the applicability of methods developed for English. By leveraging the LLMs' contextual understanding, our approach automatically identifies and classifies person-referencing words in gendered language corpora. Applied to four Spanish-English benchmarks and five Valencian corpora, our method reveals substantial male-dominant imbalances. We show that such biases in training data affect model outputs, but can surprisingly be mitigated leveraging small-scale training on datasets that are biased towards the opposite gender. Our findings highlight the need for corpus-level gender bias analysis in multilingual NLP. We make our code and data publicly available.
comment: Accepted for presentation at the 6th Workshop on Gender Bias in Natural Language Processing (GeBNLP) at ACL 2025
♻ ☆ Assessing the Reasoning Capabilities of LLMs in the context of Evidence-based Claim Verification
Although LLMs have shown great performance on Mathematics and Coding related reasoning tasks, the reasoning capabilities of LLMs regarding other forms of reasoning are still an open problem. Here, we examine the issue of reasoning from the perspective of claim verification. We propose a framework designed to break down any claim paired with evidence into atomic reasoning types that are necessary for verification. We use this framework to create RECV, the first claim verification benchmark, incorporating real-world claims, to assess the deductive and abductive reasoning capabilities of LLMs. The benchmark comprises of three datasets, covering reasoning problems of increasing complexity. We evaluate three state-of-the-art proprietary LLMs under multiple prompt settings. Our results show that while LLMs can address deductive reasoning problems, they consistently fail in cases of abductive reasoning. Moreover, we observe that enhancing LLMs with rationale generation is not always beneficial. Nonetheless, we find that generated rationales are semantically similar to those provided by humans, especially in deductive reasoning cases.
comment: First two authors contributed equally to this work. 25 pages, 3 figure
Reparameterized LLM Training via Orthogonal Equivalence Transformation
While large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we propose POET, a novel reParameterized training algorithm that uses Orthogonal Equivalence Transformation to optimize neurons. Specifically, POET reparameterizes each neuron with two learnable orthogonal matrices and a fixed random weight matrix. Because of its provable preservation of spectral properties of weight matrices, POET can stably optimize the objective function with improved generalization. We further develop efficient approximations that make POET flexible and scalable for training large-scale neural networks. Extensive experiments validate the effectiveness and scalability of POET in training LLMs.
comment: Technical report v3 (38 pages, 26 figures, project page: https://spherelab.ai/poet/, v3: added singular spectrum and energy analyses in Section 4)
♻ ☆ Bridging Social Media and Search Engines: Dredge Words and the Detection of Unreliable Domains
Proactive content moderation requires platforms to rapidly and continuously evaluate the credibility of websites. Leveraging the direct and indirect paths users follow to unreliable websites, we develop a website credibility classification and discovery system that integrates both webgraph and large-scale social media contexts. We additionally introduce the concept of dredge words, terms or phrases for which unreliable domains rank highly on search engines, and provide the first exploration of their usage on social media. Our graph neural networks that combine webgraph and social media contexts generate to state-of-the-art results in website credibility classification and significantly improves the top-k identification of unreliable domains. Additionally, we release a novel dataset of dredge words, highlighting their strong connections to both social media and online commerce platforms.
♻ ☆ The Alternative Annotator Test for LLM-as-a-Judge: How to Statistically Justify Replacing Human Annotators with LLMs
The "LLM-as-an-annotator" and "LLM-as-a-judge" paradigms employ Large Language Models (LLMs) as annotators, judges, and evaluators in tasks traditionally performed by humans. LLM annotations are widely used, not only in NLP research but also in fields like medicine, psychology, and social science. Despite their role in shaping study results and insights, there is no standard or rigorous procedure to determine whether LLMs can replace human annotators. In this paper, we propose a novel statistical procedure, the Alternative Annotator Test (alt-test), that requires only a modest subset of annotated examples to justify using LLM annotations. Additionally, we introduce a versatile and interpretable measure for comparing LLM annotators and judges. To demonstrate our procedure, we curated a diverse collection of ten datasets, consisting of language and vision-language tasks, and conducted experiments with six LLMs and four prompting techniques. Our results show that LLMs can sometimes replace humans with closed-source LLMs (such as GPT-4o), outperforming the open-source LLMs we examine, and that prompting techniques yield judges of varying quality. We hope this study encourages more rigorous and reliable practices.
♻ ☆ Language and Planning in Robotic Navigation: A Multilingual Evaluation of State-of-the-Art Models AAAI'25
Large Language Models (LLMs) such as GPT-4, trained on huge amount of datasets spanning multiple domains, exhibit significant reasoning, understanding, and planning capabilities across various tasks. This study presents the first-ever work in Arabic language integration within the Vision-and-Language Navigation (VLN) domain in robotics, an area that has been notably underexplored in existing research. We perform a comprehensive evaluation of state-of-the-art multi-lingual Small Language Models (SLMs), including GPT-4o mini, Llama 3 8B, and Phi-3 medium 14B, alongside the Arabic-centric LLM, Jais. Our approach utilizes the NavGPT framework, a pure LLM-based instruction-following navigation agent, to assess the impact of language on navigation reasoning through zero-shot sequential action prediction using the R2R dataset. Through comprehensive experiments, we demonstrate that our framework is capable of high-level planning for navigation tasks when provided with instructions in both English and Arabic. However, certain models struggled with reasoning and planning in the Arabic language due to inherent limitations in their capabilities, sub-optimal performance, and parsing issues. These findings highlight the importance of enhancing planning and reasoning capabilities in language models for effective navigation, emphasizing this as a key area for further development while also unlocking the potential of Arabic-language models for impactful real-world applications.
comment: This work has been accepted for presentation at LM4Plan@AAAI'25. For more details, please check: https://llmforplanning.github.io/
♻ ☆ Agent Laboratory: Using LLM Agents as Research Assistants
Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.
♻ ☆ FigCaps-HF: A Figure-to-Caption Generative Framework and Benchmark with Human Feedback
Captions are crucial for understanding scientific visualizations and documents. Existing captioning methods for scientific figures rely on figure-caption pairs extracted from documents for training, many of which fall short with respect to metrics like helpfulness, explainability, and visual-descriptiveness [15] leading to generated captions being misaligned with reader preferences. To enable the generation of high-quality figure captions, we introduce FigCaps-HF a new framework for figure-caption generation that can incorporate domain expert feedback in generating captions optimized for reader preferences. Our framework comprises of 1) an automatic method for evaluating quality of figure-caption pairs, 2) a novel reinforcement learning with human feedback (RLHF) method to optimize a generative figure-to-caption model for reader preferences. We demonstrate the effectiveness of our simple learning framework by improving performance over standard fine-tuning across different types of models. In particular, when using BLIP as the base model, our RLHF framework achieves a mean gain of 35.7%, 16.9%, and 9% in ROUGE, BLEU, and Meteor, respectively. Finally, we release a large-scale benchmark dataset with human feedback on figure-caption pairs to enable further evaluation and development of RLHF techniques for this problem.
comment: 16 pages, 4 figures. Benchmark Documentation: https://figcapshf.github.io/
♻ ☆ A Hybrid Multi-Agent Prompting Approach for Simplifying Complex Sentences
This paper addresses the challenge of transforming complex sentences into sequences of logical, simplified sentences while preserving semantic and logical integrity with the help of Large Language Models. We propose a hybrid approach that combines advanced prompting with multi-agent architectures to enhance the sentence simplification process. Experimental results show that our approach was able to successfully simplify 70% of the complex sentences written for video game design application. In comparison, a single-agent approach attained a 48% success rate on the same task.
♻ ☆ ONEBench to Test Them All: Sample-Level Benchmarking Over Open-Ended Capabilities
Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.
♻ ☆ Convert Language Model into a Value-based Strategic Planner ACL 2025
Emotional support conversation (ESC) aims to alleviate the emotional distress of individuals through effective conversations. Although large language models (LLMs) have obtained remarkable progress on ESC, most of these studies might not define the diagram from the state model perspective, therefore providing a suboptimal solution for long-term satisfaction. To address such an issue, we leverage the Q-learning on LLMs, and propose a framework called straQ*. Our framework allows a plug-and-play LLM to bootstrap the planning during ESC, determine the optimal strategy based on long-term returns, and finally guide the LLM to response. Substantial experiments on ESC datasets suggest that straQ* outperforms many baselines, including direct inference, self-refine, chain of thought, finetuning, and finite state machines.
comment: 13 pages, 6 figures, Accepted by ACL 2025 Industry Track
♻ ☆ IP Leakage Attacks Targeting LLM-Based Multi-Agent Systems
The rapid advancement of Large Language Models (LLMs) has led to the emergence of Multi-Agent Systems (MAS) to perform complex tasks through collaboration. However, the intricate nature of MAS, including their architecture and agent interactions, raises significant concerns regarding intellectual property (IP) protection. In this paper, we introduce MASLEAK, a novel attack framework designed to extract sensitive information from MAS applications. MASLEAK targets a practical, black-box setting, where the adversary has no prior knowledge of the MAS architecture or agent configurations. The adversary can only interact with the MAS through its public API, submitting attack query $q$ and observing outputs from the final agent. Inspired by how computer worms propagate and infect vulnerable network hosts, MASLEAK carefully crafts adversarial query $q$ to elicit, propagate, and retain responses from each MAS agent that reveal a full set of proprietary components, including the number of agents, system topology, system prompts, task instructions, and tool usages. We construct the first synthetic dataset of MAS applications with 810 applications and also evaluate MASLEAK against real-world MAS applications, including Coze and CrewAI. MASLEAK achieves high accuracy in extracting MAS IP, with an average attack success rate of 87% for system prompts and task instructions, and 92% for system architecture in most cases. We conclude by discussing the implications of our findings and the potential defenses.
♻ ☆ Do Large Language Models Exhibit Cognitive Dissonance? Studying the Difference Between Revealed Beliefs and Stated Answers
Multiple Choice Questions (MCQ) have become a commonly used approach to assess the capabilities of Large Language Models (LLMs), due to their ease of manipulation and evaluation. The experimental appraisals of the LLMs' Stated Answer (their answer to MCQ) have pointed to their apparent ability to perform probabilistic reasoning or to grasp uncertainty. In this work, we investigate whether these aptitudes are measurable outside tailored prompting and MCQ by reformulating these issues as direct text-completion - the fundamental computational unit of LLMs. We introduce Revealed Belief, an evaluation framework that evaluates LLMs on tasks requiring reasoning under uncertainty, which complements MCQ scoring by analyzing text-completion probability distributions. Our findings suggest that while LLMs frequently state the correct answer, their Revealed Belief shows that they often allocate probability mass inconsistently, exhibit systematic biases, and often fail to update their beliefs appropriately when presented with new evidence, leading to strong potential impacts on downstream tasks. These results suggest that common evaluation methods may only provide a partial picture and that more research is needed to assess the extent and nature of their capabilities.
♻ ☆ Prefix-Tuning+: Modernizing Prefix-Tuning by Decoupling the Prefix from Attention
Parameter-Efficient Fine-Tuning (PEFT) methods have become crucial for rapidly adapting large language models (LLMs) to downstream tasks. Prefix-Tuning, an early and effective PEFT technique, demonstrated the ability to achieve performance comparable to full fine-tuning with significantly reduced computational and memory overhead. However, despite its earlier success, its effectiveness in training modern state-of-the-art LLMs has been very limited. In this work, we demonstrate empirically that Prefix-Tuning underperforms on LLMs because of an inherent tradeoff between input and prefix significance within the attention head. This motivates us to introduce Prefix-Tuning+, a novel architecture that generalizes the principles of Prefix-Tuning while addressing its shortcomings by shifting the prefix module out of the attention head itself. We further provide an overview of our construction process to guide future users when constructing their own context-based methods. Our experiments show that, across a diverse set of benchmarks, Prefix-Tuning+ consistently outperforms existing Prefix-Tuning methods. Notably, it achieves performance on par with the widely adopted LoRA method on several general benchmarks, highlighting the potential modern extension of Prefix-Tuning approaches. Our findings suggest that by overcoming its inherent limitations, Prefix-Tuning can remain a competitive and relevant research direction in the landscape of parameter-efficient LLM adaptation.
♻ ☆ SynGraph: A Dynamic Graph-LLM Synthesis Framework for Sparse Streaming User Sentiment Modeling ACL 2025
User reviews on e-commerce platforms exhibit dynamic sentiment patterns driven by temporal and contextual factors. Traditional sentiment analysis methods focus on static reviews, failing to capture the evolving temporal relationship between user sentiment rating and textual content. Sentiment analysis on streaming reviews addresses this limitation by modeling and predicting the temporal evolution of user sentiments. However, it suffers from data sparsity, manifesting in temporal, spatial, and combined forms. In this paper, we introduce SynGraph, a novel framework designed to address data sparsity in sentiment analysis on streaming reviews. SynGraph alleviates data sparsity by categorizing users into mid-tail, long-tail, and extreme scenarios and incorporating LLM-augmented enhancements within a dynamic graph-based structure. Experiments on real-world datasets demonstrate its effectiveness in addressing sparsity and improving sentiment modeling in streaming reviews.
comment: Accepted at ACL 2025
♻ ☆ TaskCraft: Automated Generation of Agentic Tasks
Agentic tasks, which require multi-step problem solving with autonomy, tool use, and adaptive reasoning, are becoming increasingly central to the advancement of NLP and AI. However, existing instruction data lacks tool interaction, and current agentic benchmarks rely on costly human annotation, limiting their scalability. We introduce \textsc{TaskCraft}, an automated workflow for generating difficulty-scalable, multi-tool, and verifiable agentic tasks with execution trajectories. TaskCraft expands atomic tasks using depth-based and width-based extensions to create structurally and hierarchically complex challenges. Empirical results show that these tasks improve prompt optimization in the generation workflow and enhance supervised fine-tuning of agentic foundation models. We present a large-scale synthetic dataset of approximately 36,000 tasks with varying difficulty to support future research on agent tuning and evaluation.
♻ ☆ Graph RAG for Legal Norms: A Hierarchical, Temporal and Deterministic Approach
This article proposes an adaptation of Graph Retrieval-Augmented Generation (Graph RAG) specifically designed for the analysis and comprehension of legal norms. Legal texts are characterized by a predefined hierarchical structure, an extensive network of references and a continuous evolution through multiple temporal versions. This temporal dynamism poses a significant challenge for standard AI systems, demanding a deterministic representation of the law at any given point in time. To address this, our approach grounds the knowledge graph construction in a formal, FRBRoo-inspired model that distinguishes abstract legal works from their concrete textual expressions. We introduce a multi-layered representation of Temporal Versions (capturing date-specific changes) and Language Versions (capturing linguistic variations). By modeling normative evolution as a precise sequence of these versioned entities, we enable the construction of a knowledge graph that serves as a verifiable "ground truth". This allows Large Language Models to generate responses based on accurate, context-aware, and point-in-time correct legal information, overcoming the risk of temporal inaccuracies. Through a detailed analysis of this formal Graph RAG approach and its application to legal norm datasets, this article aims to advance the field of Artificial Intelligence applied to Law, creating opportunities for more effective and reliable systems in legal research, legislative analysis, and decision support.
comment: This version enhances the theoretical underpinnings of the proposed Graph RAG methodology, including the introduction of a formal, FRBRoo-based model for versioning, and enabling multi-language support for both content and metadata
♻ ☆ Navigating the Digital World as Humans Do: Universal Visual Grounding for GUI Agents ICLR 2025
Multimodal large language models (MLLMs) are transforming the capabilities of graphical user interface (GUI) agents, facilitating their transition from controlled simulations to complex, real-world applications across various platforms. However, the effectiveness of these agents hinges on the robustness of their grounding capability. Current GUI agents predominantly utilize text-based representations such as HTML or accessibility trees, which, despite their utility, often introduce noise, incompleteness, and increased computational overhead. In this paper, we advocate a human-like embodiment for GUI agents that perceive the environment entirely visually and directly perform pixel-level operations on the GUI. The key is visual grounding models that can accurately map diverse referring expressions of GUI elements to their coordinates on the GUI across different platforms. We show that a simple recipe, which includes web-based synthetic data and slight adaptation of the LLaVA architecture, is surprisingly effective for training such visual grounding models. We collect the largest dataset for GUI visual grounding so far, containing 10M GUI elements and their referring expressions over 1.3M screenshots, and use it to train UGround, a strong universal visual grounding model for GUI agents. Empirical results on six benchmarks spanning three categories (grounding, offline agent, and online agent) show that 1) UGround substantially outperforms existing visual grounding models for GUI agents, by up to 20% absolute, and 2) agents with UGround outperform state-of-the-art agents, despite the fact that existing agents use additional text-based input while ours only uses visual perception. These results provide strong support for the feasibility and promises of GUI agents that navigate the digital world as humans do.
comment: Accepted to ICLR 2025 (Oral). Project Homepage: https://osu-nlp-group.github.io/UGround/
♻ ☆ From tools to thieves: Measuring and understanding public perceptions of AI through crowdsourced metaphors
How has the public responded to the increasing prevalence of artificial intelligence (AI)-based technologies? We investigate public perceptions of AI by collecting over 12,000 responses over 12 months from a nationally representative U.S. sample. Participants provided open-ended metaphors reflecting their mental models of AI, a methodology that overcomes the limitations of traditional self-reported measures by capturing more nuance. Using a mixed-methods approach combining quantitative clustering and qualitative coding, we identify 20 dominant metaphors shaping public understanding of AI. To analyze these metaphors systematically, we present a scalable framework integrating language modeling (LM)-based techniques to measure key dimensions of public perception: anthropomorphism (attribution of human-like qualities), warmth, and competence. We find that Americans generally view AI as warm and competent, and that over the past year, perceptions of AI's human-likeness and warmth have significantly increased ($+34\%, r = 0.80, p < 0.01; +41\%, r = 0.62, p < 0.05$). These implicit perceptions, along with the identified dominant metaphors, strongly predict trust in and willingness to adopt AI ($r^2 = 0.21, 0.18, p < 0.001$). Moreover, we uncover systematic demographic differences in metaphors and implicit perceptions, such as the higher propensity of women, older individuals, and people of color to anthropomorphize AI, which shed light on demographic disparities in trust and adoption. In addition to our dataset and framework for tracking evolving public attitudes, we provide actionable insights on using metaphors for inclusive and responsible AI development.
comment: To appear at the ACM Conference on Fairness, Accountability, and Transparency 2025
♻ ☆ PredictaBoard: Benchmarking LLM Score Predictability ACL
Despite possessing impressive skills, Large Language Models (LLMs) often fail unpredictably, demonstrating inconsistent success in even basic common sense reasoning tasks. This unpredictability poses a significant challenge to ensuring their safe deployment, as identifying and operating within a reliable "safe zone" is essential for mitigating risks. To address this, we present PredictaBoard, a novel collaborative benchmarking framework designed to evaluate the ability of score predictors (referred to as assessors) to anticipate LLM errors on specific task instances (i.e., prompts) from existing datasets. PredictaBoard evaluates pairs of LLMs and assessors by considering the rejection rate at different tolerance errors. As such, PredictaBoard stimulates research into developing better assessors and making LLMs more predictable, not only with a higher average performance. We conduct illustrative experiments using baseline assessors and state-of-the-art LLMs. PredictaBoard highlights the critical need to evaluate predictability alongside performance, paving the way for safer AI systems where errors are not only minimised but also anticipated and effectively mitigated. Code for our benchmark can be found at https://github.com/Kinds-of-Intelligence-CFI/PredictaBoard
comment: Accepted at ACL Findings 2025
♻ ☆ Evolution of ESG-focused DLT Research: An NLP Analysis of the Literature
Distributed Ledger Technology (DLT) faces increasing environmental scrutiny, particularly concerning the energy consumption of the Proof of Work (PoW) consensus mechanism and broader Environmental, Social, and Governance (ESG) issues. However, existing systematic literature reviews of DLT rely on limited analyses of citations, abstracts, and keywords, failing to fully capture the field's complexity and ESG concerns. We address these challenges by analyzing the full text of 24,539 publications using Natural Language Processing (NLP) with our manually labeled Named Entity Recognition (NER) dataset of 39,427 entities for DLT. This methodology identified 505 key publications at the DLT/ESG intersection, enabling comprehensive domain analysis. Our combined NLP and temporal graph analysis reveals critical trends in DLT evolution and ESG impacts, including cryptography and peer-to-peer networks research's foundational influence, Bitcoin's persistent impact on research and environmental concerns (a "Lindy effect"), Ethereum's catalytic role on Proof of Stake (PoS) and smart contract adoption, and the industry's progressive shift toward energy-efficient consensus mechanisms. Our contributions include the first DLT-specific NER dataset addressing the scarcity of high-quality labeled NLP data in blockchain research, a methodology integrating NLP and temporal graph analysis for large-scale interdisciplinary literature reviews, and the first NLP-driven literature review focusing on DLT's ESG aspects.
♻ ☆ ClusterChat: Multi-Feature Search for Corpus Exploration
Exploring large-scale text corpora presents a significant challenge in biomedical, finance, and legal domains, where vast amounts of documents are continuously published. Traditional search methods, such as keyword-based search, often retrieve documents in isolation, limiting the user's ability to easily inspect corpus-wide trends and relationships. We present ClusterChat (The demo video and source code are available at: https://github.com/achouhan93/ClusterChat), an open-source system for corpus exploration that integrates cluster-based organization of documents using textual embeddings with lexical and semantic search, timeline-driven exploration, and corpus and document-level question answering (QA) as multi-feature search capabilities. We validate the system with two case studies on a four million abstract PubMed dataset, demonstrating that ClusterChat enhances corpus exploration by delivering context-aware insights while maintaining scalability and responsiveness on large-scale document collections.
comment: 5 pages, 1 table, 1 figure, Accepted to SIGIR Demo Paper Track 2025
♻ ☆ Inherent and emergent liability issues in LLM-based agentic systems: a principal-agent perspective ACL2025
Agentic systems powered by large language models (LLMs) are becoming progressively more complex and capable. Their increasing agency and expanding deployment settings attract growing attention to effective governance policies, monitoring, and control protocols. Based on the emerging landscape of the agentic market, we analyze potential liability issues arising from the delegated use of LLM agents and their extended systems through a principal-agent perspective. Our analysis complements existing risk-based studies on artificial agency and covers the spectrum of important aspects of the principal-agent relationship and their potential consequences at deployment. Furthermore, we motivate method developments for technical governance along the directions of interpretability and behavior evaluations, reward and conflict management, and the mitigation of misalignment and misconduct through principled engineering of detection and fail-safe mechanisms. By illustrating the outstanding issues in AI liability for LLM-based agentic systems, we aim to inform the system design, auditing, and tracing to enhance transparency and liability attribution.
comment: 22 pages (incl. appendix), accepted at REALM workshop, ACL2025
♻ ☆ BESSTIE: A Benchmark for Sentiment and Sarcasm Classification for Varieties of English ACL
Despite large language models (LLMs) being known to exhibit bias against non-standard language varieties, there are no known labelled datasets for sentiment analysis of English. To address this gap, we introduce BESSTIE, a benchmark for sentiment and sarcasm classification for three varieties of English: Australian (en-AU), Indian (en-IN), and British (en-UK). We collect datasets for these language varieties using two methods: location-based for Google Places reviews, and topic-based filtering for Reddit comments. To assess whether the dataset accurately represents these varieties, we conduct two validation steps: (a) manual annotation of language varieties and (b) automatic language variety prediction. Native speakers of the language varieties manually annotate the datasets with sentiment and sarcasm labels. We perform an additional annotation exercise to validate the reliance of the annotated labels. Subsequently, we fine-tune nine LLMs (representing a range of encoder/decoder and mono/multilingual models) on these datasets, and evaluate their performance on the two tasks. Our results show that the models consistently perform better on inner-circle varieties (i.e., en-AU and en-UK), in comparison with en-IN, particularly for sarcasm classification. We also report challenges in cross-variety generalisation, highlighting the need for language variety-specific datasets such as ours. BESSTIE promises to be a useful evaluative benchmark for future research in equitable LLMs, specifically in terms of language varieties. The BESSTIE dataset is publicly available at: https://huggingface.co/ datasets/unswnlporg/BESSTIE.
comment: Findings of ACL: ACL 2025
♻ ☆ Rectifying Belief Space via Unlearning to Harness LLMs' Reasoning ACL2025
Large language models (LLMs) can exhibit advanced reasoning yet still generate incorrect answers. We hypothesize that such errors frequently stem from spurious beliefs, propositions the model internally considers true but are incorrect. To address this, we propose a method to rectify the belief space by suppressing these spurious beliefs while simultaneously enhancing true ones, thereby enabling more reliable inferences. Our approach first identifies the beliefs that lead to incorrect or correct answers by prompting the model to generate textual explanations, using our Forward-Backward Beam Search (FBBS). We then apply unlearning to suppress the identified spurious beliefs and enhance the true ones, effectively rectifying the model's belief space. Empirical results on multiple QA datasets and LLMs show that our method corrects previously misanswered questions without harming overall model performance. Furthermore, our approach yields improved generalization on unseen data, suggesting that rectifying a model's belief space is a promising direction for mitigating errors and enhancing overall reliability.
comment: Accepted at ACL2025 Findings (long)
♻ ☆ Uncovering Overfitting in Large Language Model Editing ICLR 2025
Knowledge editing has been proposed as an effective method for updating and correcting the internal knowledge of Large Language Models (LLMs). However, existing editing methods often struggle with complex tasks, such as multi-hop reasoning. In this paper, we identify and investigate the phenomenon of Editing Overfit, where edited models assign disproportionately high probabilities to the edit target, hindering the generalization of new knowledge in complex scenarios. We attribute this issue to the current editing paradigm, which places excessive emphasis on the direct correspondence between the input prompt and the edit target for each edit sample. To further explore this issue, we introduce a new benchmark, EVOKE (EValuation of Editing Overfit in Knowledge Editing), along with fine-grained evaluation metrics. Through comprehensive experiments and analysis, we demonstrate that Editing Overfit is prevalent in current editing methods and that common overfitting mitigation strategies are ineffective in knowledge editing. To overcome this, inspired by LLMs' knowledge recall mechanisms, we propose a new plug-and-play strategy called Learn the Inference (LTI), which introduce a Multi-stage Inference Constraint module to guide the edited models in recalling new knowledge similarly to how unedited LLMs leverage knowledge through in-context learning. Extensive experimental results across a wide range of tasks validate the effectiveness of LTI in mitigating Editing Overfit.
comment: ICLR 2025
♻ ☆ CAPO: Cost-Aware Prompt Optimization
Large language models (LLMs) have revolutionized natural language processing by solving a wide range of tasks simply guided by a prompt. Yet their performance is highly sensitive to prompt formulation. While automatic prompt optimization addresses this challenge by finding optimal prompts, current methods require a substantial number of LLM calls and input tokens, making prompt optimization expensive. We introduce CAPO (Cost-Aware Prompt Optimization), an algorithm that enhances prompt optimization efficiency by integrating AutoML techniques. CAPO is an evolutionary approach with LLMs as operators, incorporating racing to save evaluations and multi-objective optimization to balance performance with prompt length. It jointly optimizes instructions and few-shot examples while leveraging task descriptions for improved robustness. Our extensive experiments across diverse datasets and LLMs demonstrate that CAPO outperforms state-of-the-art discrete prompt optimization methods in 11/15 cases with improvements up to 21%p in accuracy. Our algorithm achieves better performances already with smaller budgets, saves evaluations through racing, and decreases average prompt length via a length penalty, making it both cost-efficient and cost-aware. Even without few-shot examples, CAPO outperforms its competitors and generally remains robust to initial prompts. CAPO represents an important step toward making prompt optimization more powerful and accessible by improving cost-efficiency.
comment: Submitted to AutoML 2025
♻ ☆ Ensemble Watermarks for Large Language Models ACL 2025
As large language models (LLMs) reach human-like fluency, reliably distinguishing AI-generated text from human authorship becomes increasingly difficult. While watermarks already exist for LLMs, they often lack flexibility and struggle with attacks such as paraphrasing. To address these issues, we propose a multi-feature method for generating watermarks that combines multiple distinct watermark features into an ensemble watermark. Concretely, we combine acrostica and sensorimotor norms with the established red-green watermark to achieve a 98% detection rate. After a paraphrasing attack, the performance remains high with 95% detection rate. In comparison, the red-green feature alone as a baseline achieves a detection rate of 49% after paraphrasing. The evaluation of all feature combinations reveals that the ensemble of all three consistently has the highest detection rate across several LLMs and watermark strength settings. Due to the flexibility of combining features in the ensemble, various requirements and trade-offs can be addressed. Additionally, the same detection function can be used without adaptations for all ensemble configurations. This method is particularly of interest to facilitate accountability and prevent societal harm.
comment: Accepted to ACL 2025 main conference. This article extends our earlier work arXiv:2405.08400 by introducing an ensemble of stylometric watermarking features and alternative experimental analysis. Code and data are available at http://github.com/CommodoreEU/ensemble-watermark
♻ ☆ Automated Construction of a Knowledge Graph of Nuclear Fusion Energy for Effective Elicitation and Retrieval of Information
In this document, we discuss a multi-step approach to automated construction of a knowledge graph, for structuring and representing domain-specific knowledge from large document corpora. We apply our method to build the first knowledge graph of nuclear fusion energy, a highly specialized field characterized by vast scope and heterogeneity. This is an ideal benchmark to test the key features of our pipeline, including automatic named entity recognition and entity resolution. We show how pre-trained large language models can be used to address these challenges and we evaluate their performance against Zipf's law, which characterizes human-generated natural language. Additionally, we develop a knowledge-graph retrieval-augmented generation system that combines large language models with a multi-prompt approach. This system provides contextually relevant answers to natural-language queries, including complex multi-hop questions that require reasoning across interconnected entities.
♻ ☆ SeqPE: Transformer with Sequential Position Encoding
Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each $n$-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.
♻ ☆ Exploring news intent and its application: A theory-driven approach
Understanding the intent behind information is crucial. However, news as a medium of public discourse still lacks a structured investigation of perceived news intent and its application. To advance this field, this paper reviews interdisciplinary studies on intentional action and introduces a conceptual deconstruction-based news intent understanding framework (NINT). This framework identifies the components of intent, facilitating a structured representation of news intent and its applications. Building upon NINT, we contribute a new intent perception dataset. Moreover, we investigate the potential of intent assistance on news-related tasks, such as significant improvement (+2.2% macF1) in the task of fake news detection. We hope that our findings will provide valuable insights into action-based intent cognition and computational social science.
comment: Accepted to Information Processing & Management. DOI: https://doi.org/10.1016/j.ipm.2025.104229
♻ ☆ ROSAQ: Rotation-based Saliency-Aware Weight Quantization for Efficiently Compressing Large Language Models
Quantization has been widely studied as an effective technique for reducing the memory requirement of large language models (LLMs), potentially improving the latency time as well. Utilizing the characteristic of rotational invariance of transformer, we propose the rotation-based saliency-aware weight quantization (ROSAQ), which identifies salient channels in the projection feature space, not in the original feature space, where the projected "principal" dimensions are naturally considered as "salient" features. The proposed ROSAQ consists of 1) PCA-based projection, which first performs principal component analysis (PCA) on a calibration set and transforms via the PCA projection, 2) Salient channel dentification, which selects dimensions corresponding to the K-largest eigenvalues as salient channels, and 3) Saliency-aware quantization with mixed-precision, which uses FP16 for salient dimensions and INT3/4 for other dimensions. Experiment results show that ROSAQ shows improvements over the baseline saliency-aware quantization on the original feature space and other existing quantization methods. With kernel fusion, ROSAQ presents about 2.3x speed up over FP16 implementation in generating 256 tokens with a batch size of 64.
comment: 10 pages, 2 figures
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data will be available later (under review). Keywords: reinforcement learning with verifiable rewards (RLVR), instruction following, complex instructions
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ Do Construction Distributions Shape Formal Language Learning In German BabyLMs?
We analyze the influence of utterance-level construction distributions in German child-directed/child-available speech on the resulting word-level, syntactic and semantic competence (and their underlying learning trajectories) in small LMs, which we train on a novel collection of developmentally plausible language data for German. We find that trajectories are surprisingly robust for markedly different distributions of constructions in the training data, which have little effect on final accuracies and almost no effect on global learning trajectories. While syntax learning benefits from more complex utterances, word-level learning culminates in better scores with more fragmentary utterances. We argue that LMs trained on developmentally plausible data can contribute to debates on how conducive different kinds of linguistic stimuli are to language learning.
comment: Accepted at CoNNL 2025
♻ ☆ AI-Facilitated Analysis of Abstracts and Conclusions: Flagging Unsubstantiated Claims and Ambiguous Pronouns
We present and evaluate a suite of proof-of-concept (PoC), structured workflow prompts designed to elicit human-like hierarchical reasoning while guiding Large Language Models (LLMs) in the high-level semantic and linguistic analysis of scholarly manuscripts. The prompts target two non-trivial analytical tasks within academic summaries (abstracts and conclusions): identifying unsubstantiated claims (informational integrity) and flagging semantically confusing ambiguous pronoun references (linguistic clarity). We conducted a systematic, multi-run evaluation on two frontier models (Gemini Pro 2.5 Pro and ChatGPT Plus o3) under varied context conditions. Our results for the informational integrity task reveal a significant divergence in model performance: while both models successfully identified an unsubstantiated head of a noun phrase (95% success), ChatGPT consistently failed (0% success) to identify an unsubstantiated adjectival modifier that Gemini correctly flagged (95% success), raising a question regarding the potential influence of the target's syntactic role. For the linguistic analysis task, both models performed well (80-90% success) with full manuscript context. Surprisingly, in a summary-only setting, Gemini's performance was substantially degraded, while ChatGPT achieved a perfect (100%) success rate. Our findings suggest that while structured prompting is a viable methodology for complex textual analysis, prompt performance may be highly dependent on the interplay between the model, task type, and context, highlighting the need for rigorous, model-specific testing.
comment: 13 pages
♻ ☆ Seewo's Submission to MLC-SLM: Lessons learned from Speech Reasoning Language Models
This paper presents Seewo's systems for both tracks of the Multilingual Conversational Speech Language Model Challenge (MLC-SLM), addressing automatic speech recognition (ASR) and speaker diarization with ASR (SD-ASR). We introduce a multi-stage training pipeline that explicitly enhances reasoning and self-correction in speech language models for ASR. Our approach combines curriculum learning for progressive capability acquisition, Chain-of-Thought data augmentation to foster intermediate reflection, and Reinforcement Learning with Verifiable Rewards (RLVR) to further refine self-correction through reward-driven optimization. This approach achieves substantial improvements over the official challenge baselines. On the evaluation set, our best system attains a WER/CER of 11.57% for Track 1 and a tcpWER/tcpCER of 17.67% for Track 2. Comprehensive ablation studies demonstrate the effectiveness of each component under challenge constraints.
♻ ☆ ConsistencyChecker: Tree-based Evaluation of LLM Generalization Capabilities ACL 2025
Evaluating consistency in large language models (LLMs) is crucial for ensuring reliability, particularly in complex, multi-step interactions between humans and LLMs. Traditional self-consistency methods often miss subtle semantic changes in natural language and functional shifts in code or equations, which can accumulate over multiple transformations. To address this, we propose ConsistencyChecker, a tree-based evaluation framework designed to measure consistency through sequences of reversible transformations, including machine translation tasks and AI-assisted programming tasks. In our framework, nodes represent distinct text states, while edges correspond to pairs of inverse operations. Dynamic and LLM-generated benchmarks ensure a fair assessment of the model's generalization ability and eliminate benchmark leakage. Consistency is quantified based on similarity across different depths of the transformation tree. Experiments on eight models from various families and sizes show that ConsistencyChecker can distinguish the performance of different models. Notably, our consistency scores-computed entirely without using WMT paired data-correlate strongly (r > 0.7) with WMT 2024 auto-ranking, demonstrating the validity of our benchmark-free approach. Our implementation is available at: https://github.com/ulab-uiuc/consistencychecker.
comment: Accepted at ACL 2025 Main Conference
♻ ☆ FlagEvalMM: A Flexible Framework for Comprehensive Multimodal Model Evaluation
We present FlagEvalMM, an open-source evaluation framework designed to comprehensively assess multimodal models across a diverse range of vision-language understanding and generation tasks, such as visual question answering, text-to-image/video generation, and image-text retrieval. We decouple model inference from evaluation through an independent evaluation service, thus enabling flexible resource allocation and seamless integration of new tasks and models. Moreover, FlagEvalMM utilizes advanced inference acceleration tools (e.g., vLLM, SGLang) and asynchronous data loading to significantly enhance evaluation efficiency. Extensive experiments show that FlagEvalMM offers accurate and efficient insights into model strengths and limitations, making it a valuable tool for advancing multimodal research. The framework is publicly accessible athttps://github.com/flageval-baai/FlagEvalMM.
♻ ☆ Surprise Calibration for Better In-Context Learning
In-context learning (ICL) has emerged as a powerful paradigm for task adaptation in large language models (LLMs), where models infer underlying task structures from a few demonstrations. However, ICL remains susceptible to biases that arise from prior knowledge and contextual demonstrations, which can degrade the performance of LLMs. Existing bias calibration methods typically apply fixed class priors across all inputs, limiting their efficacy in dynamic ICL settings where the context for each query differs. To address these limitations, we adopt implicit sequential Bayesian inference as a framework for interpreting ICL, identify "surprise" as an informative signal for class prior shift, and introduce a novel method--Surprise Calibration (SC). SC leverages the notion of surprise to capture the temporal dynamics of class priors, providing a more adaptive and computationally efficient solution for in-context learning. We empirically demonstrate the superiority of SC over existing bias calibration techniques across a range of benchmark natural language processing tasks.
comment: 16 pages, 11 figures
♻ ☆ What do Large Language Models Say About Animals? Investigating Risks of Animal Harm in Generated Text
As machine learning systems become increasingly embedded in society, their impact on human and nonhuman life continues to escalate. Technical evaluations have addressed a variety of potential harms from large language models (LLMs) towards humans and the environment, but there is little empirical work regarding harms towards nonhuman animals. Following the growing recognition of animal protection in regulatory and ethical AI frameworks, we present AnimalHarmBench (AHB), a benchmark for risks of animal harm in LLM-generated text. Our benchmark dataset comprises 1,850 curated questions from Reddit post titles and 2,500 synthetic questions based on 50 animal categories (e.g., cats, reptiles) and 50 ethical scenarios with a 70-30 public-private split. Scenarios include open-ended questions about how to treat animals, practical scenarios with potential animal harm, and willingness-to-pay measures for the prevention of animal harm. Using the LLM-as-a-judge framework, responses are evaluated for their potential to increase or decrease harm, and evaluations are debiased for the tendency of judges to judge their own outputs more favorably. AHB reveals significant differences across frontier LLMs, animal categories, scenarios, and subreddits. We conclude with future directions for technical research and addressing the challenges of building evaluations on complex social and moral topics.
♻ ☆ Position: Editing Large Language Models Poses Serious Safety Risks ICML 2025
Large Language Models (LLMs) contain large amounts of facts about the world. These facts can become outdated over time, which has led to the development of knowledge editing methods (KEs) that can change specific facts in LLMs with limited side effects. This position paper argues that editing LLMs poses serious safety risks that have been largely overlooked. First, we note the fact that KEs are widely available, computationally inexpensive, highly performant, and stealthy makes them an attractive tool for malicious actors. Second, we discuss malicious use cases of KEs, showing how KEs can be easily adapted for a variety of malicious purposes. Third, we highlight vulnerabilities in the AI ecosystem that allow unrestricted uploading and downloading of updated models without verification. Fourth, we argue that a lack of social and institutional awareness exacerbates this risk, and discuss the implications for different stakeholders. We call on the community to (i) research tamper-resistant models and countermeasures against malicious model editing, and (ii) actively engage in securing the AI ecosystem.
comment: Accepted at ICML 2025
♻ ☆ GuideBench: Benchmarking Domain-Oriented Guideline Following for LLM Agents ACL 2025
Large language models (LLMs) have been widely deployed as autonomous agents capable of following user instructions and making decisions in real-world applications. Previous studies have made notable progress in benchmarking the instruction following capabilities of LLMs in general domains, with a primary focus on their inherent commonsense knowledge. Recently, LLMs have been increasingly deployed as domain-oriented agents, which rely on domain-oriented guidelines that may conflict with their commonsense knowledge. These guidelines exhibit two key characteristics: they consist of a wide range of domain-oriented rules and are subject to frequent updates. Despite these challenges, the absence of comprehensive benchmarks for evaluating the domain-oriented guideline following capabilities of LLMs presents a significant obstacle to their effective assessment and further development. In this paper, we introduce GuideBench, a comprehensive benchmark designed to evaluate guideline following performance of LLMs. GuideBench evaluates LLMs on three critical aspects: (i) adherence to diverse rules, (ii) robustness to rule updates, and (iii) alignment with human preferences. Experimental results on a range of LLMs indicate substantial opportunities for improving their ability to follow domain-oriented guidelines.
comment: ACL 2025 Main Conference
♻ ☆ Effect of Selection Format on LLM Performance
This paper investigates a critical aspect of large language model (LLM) performance: the optimal formatting of classification task options in prompts. Through an extensive experimental study, we compared two selection formats -- bullet points and plain English -- to determine their impact on model performance. Our findings suggest that presenting options via bullet points generally yields better results, although there are some exceptions. Furthermore, our research highlights the need for continued exploration of option formatting to drive further improvements in model performance.
♻ ☆ Scaling Computer-Use Grounding via User Interface Decomposition and Synthesis
Graphical user interface (GUI) grounding, the ability to map natural language instructions to specific actions on graphical user interfaces, remains a critical bottleneck in computer use agent development. Current benchmarks oversimplify grounding tasks as short referring expressions, failing to capture the complexity of real-world interactions that require software commonsense, layout understanding, and fine-grained manipulation capabilities. To address these limitations, we introduce OSWorld-G, a comprehensive benchmark comprising 564 finely annotated samples across diverse task types including text matching, element recognition, layout understanding, and precise manipulation. Additionally, we synthesize and release the largest computer use grounding dataset Jedi, which contains 4 million examples through multi-perspective decoupling of tasks. Our multi-scale models trained on Jedi demonstrate its effectiveness by outperforming existing approaches on ScreenSpot-v2, ScreenSpot-Pro, and our OSWorld-G. Furthermore, we demonstrate that improved grounding with Jedi directly enhances agentic capabilities of general foundation models on complex computer tasks, improving from 5% to 27% on OSWorld. Through detailed ablation studies, we identify key factors contributing to grounding performance and verify that combining specialized data for different interface elements enables compositional generalization to novel interfaces. All benchmark, data, checkpoints, and code are open-sourced and available at https://osworld-grounding.github.io.
comment: 49 pages, 13 figures
♻ ☆ Modality-Aware Neuron Pruning for Unlearning in Multimodal Large Language Models ACL 2025
Generative models such as Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) trained on massive datasets can lead them to memorize and inadvertently reveal sensitive information, raising ethical and privacy concerns. While some prior works have explored this issue in the context of LLMs, it presents a unique challenge for MLLMs due to the entangled nature of knowledge across modalities, making comprehensive unlearning more difficult. To address this challenge, we propose Modality Aware Neuron Unlearning (MANU), a novel unlearning framework for MLLMs designed to selectively clip neurons based on their relative importance to the targeted forget data, curated for different modalities. Specifically, MANU consists of two stages: important neuron selection and selective pruning. The first stage identifies and collects the most influential neurons across modalities relative to the targeted forget knowledge, while the second stage is dedicated to pruning those selected neurons. MANU effectively isolates and removes the neurons that contribute most to the forget data within each modality, while preserving the integrity of retained knowledge. Our experiments conducted across various MLLM architectures illustrate that MANU can achieve a more balanced and comprehensive unlearning in each modality without largely affecting the overall model utility.
comment: ACL 2025 Main Conference
♻ ☆ LongSpec: Long-Context Lossless Speculative Decoding with Efficient Drafting and Verification
As Large Language Models (LLMs) can now process extremely long contexts, efficient inference over these extended inputs has become increasingly important, especially for emerging applications like LLM agents that highly depend on this capability. Speculative decoding (SD) offers a promising lossless acceleration technique compared to lossy alternatives such as quantization and model cascades. However, most state-of-the-art SD methods are trained on short texts (typically fewer than 4k tokens), making them unsuitable for long-context scenarios. Specifically, adapting these methods to long contexts presents three key challenges: (1) the excessive memory demands posed by draft models due to large Key-Value (KV) cache; (2) performance degradation resulting from the mismatch between short-context training and long-context inference; and (3) inefficiencies in tree attention mechanisms when managing long token sequences. This work introduces LongSpec, a framework that addresses these challenges through three core innovations: a memory-efficient draft model with a constant-sized KV cache; novel position indices that mitigate the training-inference mismatch; and an attention aggregation strategy that combines fast prefix computation with standard tree attention to enable efficient decoding. Experimental results confirm the effectiveness of LongSpec, achieving up to a 3.26x speedup over strong Flash Attention baselines across five long-context understanding datasets, as well as a 2.25x reduction in wall-clock time on the AIME24 long reasoning task with the QwQ model, demonstrating significant latency improvements for long-context applications. The code is available at https://github.com/sail-sg/LongSpec.
♻ ☆ CAPTURE: Context-Aware Prompt Injection Testing and Robustness Enhancement ACL
Prompt injection remains a major security risk for large language models. However, the efficacy of existing guardrail models in context-aware settings remains underexplored, as they often rely on static attack benchmarks. Additionally, they have over-defense tendencies. We introduce CAPTURE, a novel context-aware benchmark assessing both attack detection and over-defense tendencies with minimal in-domain examples. Our experiments reveal that current prompt injection guardrail models suffer from high false negatives in adversarial cases and excessive false positives in benign scenarios, highlighting critical limitations. To demonstrate our framework's utility, we train CaptureGuard on our generated data. This new model drastically reduces both false negative and false positive rates on our context-aware datasets while also generalizing effectively to external benchmarks, establishing a path toward more robust and practical prompt injection defenses.
comment: Accepted in ACL LLMSec Workshop 2025
♻ ☆ Hanfu-Bench: A Multimodal Benchmark on Cross-Temporal Cultural Understanding and Transcreation
Culture is a rich and dynamic domain that evolves across both geography and time. However, existing studies on cultural understanding with vision-language models (VLMs) primarily emphasize geographic diversity, often overlooking the critical temporal dimensions. To bridge this gap, we introduce Hanfu-Bench, a novel, expert-curated multimodal dataset. Hanfu, a traditional garment spanning ancient Chinese dynasties, serves as a representative cultural heritage that reflects the profound temporal aspects of Chinese culture while remaining highly popular in Chinese contemporary society. Hanfu-Bench comprises two core tasks: cultural visual understanding and cultural image transcreation.The former task examines temporal-cultural feature recognition based on single- or multi-image inputs through multiple-choice visual question answering, while the latter focuses on transforming traditional attire into modern designs through cultural element inheritance and modern context adaptation. Our evaluation shows that closed VLMs perform comparably to non-experts on visual cutural understanding but fall short by 10\% to human experts, while open VLMs lags further behind non-experts. For the transcreation task, multi-faceted human evaluation indicates that the best-performing model achieves a success rate of only 42\%. Our benchmark provides an essential testbed, revealing significant challenges in this new direction of temporal cultural understanding and creative adaptation.
comment: cultural analysis, cultural visual understanding, cultural image transcreation (update dataset license)
Geometric Signatures of Compositionality Across a Language Model's Lifetime ACL 2025
By virtue of linguistic compositionality, few syntactic rules and a finite lexicon can generate an unbounded number of sentences. That is, language, though seemingly high-dimensional, can be explained using relatively few degrees of freedom. An open question is whether contemporary language models (LMs) reflect the intrinsic simplicity of language that is enabled by compositionality. We take a geometric view of this problem by relating the degree of compositionality in a dataset to the intrinsic dimension (ID) of its representations under an LM, a measure of feature complexity. We find not only that the degree of dataset compositionality is reflected in representations' ID, but that the relationship between compositionality and geometric complexity arises due to learned linguistic features over training. Finally, our analyses reveal a striking contrast between nonlinear and linear dimensionality, showing they respectively encode semantic and superficial aspects of linguistic composition.
comment: Published at ACL 2025
Computer Vision and Pattern Recognition 100
☆ CDP: Towards Robust Autoregressive Visuomotor Policy Learning via Causal Diffusion
Diffusion Policy (DP) enables robots to learn complex behaviors by imitating expert demonstrations through action diffusion. However, in practical applications, hardware limitations often degrade data quality, while real-time constraints restrict model inference to instantaneous state and scene observations. These limitations seriously reduce the efficacy of learning from expert demonstrations, resulting in failures in object localization, grasp planning, and long-horizon task execution. To address these challenges, we propose Causal Diffusion Policy (CDP), a novel transformer-based diffusion model that enhances action prediction by conditioning on historical action sequences, thereby enabling more coherent and context-aware visuomotor policy learning. To further mitigate the computational cost associated with autoregressive inference, a caching mechanism is also introduced to store attention key-value pairs from previous timesteps, substantially reducing redundant computations during execution. Extensive experiments in both simulated and real-world environments, spanning diverse 2D and 3D manipulation tasks, demonstrate that CDP uniquely leverages historical action sequences to achieve significantly higher accuracy than existing methods. Moreover, even when faced with degraded input observation quality, CDP maintains remarkable precision by reasoning through temporal continuity, which highlights its practical robustness for robotic control under realistic, imperfect conditions.
☆ ASCD: Attention-Steerable Contrastive Decoding for Reducing Hallucination in MLLM
Multimodal Large Language Model (MLLM) often suffer from hallucinations. They over-rely on partial cues and generate incorrect responses. Recently, methods like Visual Contrastive Decoding (VCD) and Instruction Contrastive Decoding (ICD) have been proposed to mitigate hallucinations by contrasting predictions from perturbed or negatively prefixed inputs against original outputs. In this work, we uncover that methods like VCD and ICD fundamentally influence internal attention dynamics of the model. This observation suggests that their effectiveness may not stem merely from surface-level modifications to logits but from deeper shifts in attention distribution. Inspired by this insight, we propose an attention-steerable contrastive decoding framework that directly intervenes in attention mechanisms of the model to offer a more principled approach to mitigating hallucinations. Our experiments across multiple MLLM architectures and diverse decoding methods demonstrate that our approach significantly reduces hallucinations and improves the performance on benchmarks such as POPE, CHAIR, and MMHal-Bench, while simultaneously enhancing performance on standard VQA benchmarks.
comment: 15 pages, 7 figures
☆ Scaling-Up the Pretraining of the Earth Observation Foundation Model PhilEO to the MajorTOM Dataset
Today, Earth Observation (EO) satellites generate massive volumes of data, with the Copernicus Sentinel-2 constellation alone producing approximately 1.6TB per day. To fully exploit this information, it is essential to pretrain EO Foundation Models (FMs) on large unlabeled datasets, enabling efficient fine-tuning for several different downstream tasks with minimal labeled data. In this work, we present the scaling-up of our recently proposed EO Foundation Model, PhilEO Geo-Aware U-Net, on the unlabeled 23TB dataset MajorTOM, which covers the vast majority of the Earth's surface, as well as on the specialized subset FastTOM 2TB that does not include oceans and ice. We develop and study various PhilEO model variants with different numbers of parameters and architectures. Finally, we fine-tune the models on the PhilEO Bench for road density estimation, building density pixel-wise regression, and land cover semantic segmentation, and we evaluate the performance. Our results demonstrate that for all n-shots for road density regression, the PhilEO 44M MajorTOM 23TB model outperforms PhilEO Globe 0.5TB 44M. We also show that for most n-shots for road density estimation and building density regression, PhilEO 200M FastTOM outperforms all the other models. The effectiveness of both dataset and model scaling is validated using the PhilEO Bench. We also study the impact of architecture scaling, transitioning from U-Net Convolutional Neural Networks (CNN) to Vision Transformers (ViT).
comment: 6 pages, 9 figures, 1 table, 29 references
☆ Cost-Aware Routing for Efficient Text-To-Image Generation
Diffusion models are well known for their ability to generate a high-fidelity image for an input prompt through an iterative denoising process. Unfortunately, the high fidelity also comes at a high computational cost due the inherently sequential generative process. In this work, we seek to optimally balance quality and computational cost, and propose a framework to allow the amount of computation to vary for each prompt, depending on its complexity. Each prompt is automatically routed to the most appropriate text-to-image generation function, which may correspond to a distinct number of denoising steps of a diffusion model, or a disparate, independent text-to-image model. Unlike uniform cost reduction techniques (e.g., distillation, model quantization), our approach achieves the optimal trade-off by learning to reserve expensive choices (e.g., 100+ denoising steps) only for a few complex prompts, and employ more economical choices (e.g., small distilled model) for less sophisticated prompts. We empirically demonstrate on COCO and DiffusionDB that by learning to route to nine already-trained text-to-image models, our approach is able to deliver an average quality that is higher than that achievable by any of these models alone.
☆ SyncTalk++: High-Fidelity and Efficient Synchronized Talking Heads Synthesis Using Gaussian Splatting
Achieving high synchronization in the synthesis of realistic, speech-driven talking head videos presents a significant challenge. A lifelike talking head requires synchronized coordination of subject identity, lip movements, facial expressions, and head poses. The absence of these synchronizations is a fundamental flaw, leading to unrealistic results. To address the critical issue of synchronization, identified as the ''devil'' in creating realistic talking heads, we introduce SyncTalk++, which features a Dynamic Portrait Renderer with Gaussian Splatting to ensure consistent subject identity preservation and a Face-Sync Controller that aligns lip movements with speech while innovatively using a 3D facial blendshape model to reconstruct accurate facial expressions. To ensure natural head movements, we propose a Head-Sync Stabilizer, which optimizes head poses for greater stability. Additionally, SyncTalk++ enhances robustness to out-of-distribution (OOD) audio by incorporating an Expression Generator and a Torso Restorer, which generate speech-matched facial expressions and seamless torso regions. Our approach maintains consistency and continuity in visual details across frames and significantly improves rendering speed and quality, achieving up to 101 frames per second. Extensive experiments and user studies demonstrate that SyncTalk++ outperforms state-of-the-art methods in synchronization and realism. We recommend watching the supplementary video: https://ziqiaopeng.github.io/synctalk++.
☆ Active InSAR monitoring of building damage in Gaza during the Israel-Hamas War
Aerial bombardment of the Gaza Strip beginning October 7, 2023 is one of the most intense bombing campaigns of the twenty-first century, driving widespread urban damage. Characterizing damage over a geographically dynamic and protracted armed conflict requires active monitoring. Synthetic aperture radar (SAR) has precedence for mapping disaster-induced damage with bi-temporal methods but applications to active monitoring during sustained crises are limited. Using interferometric SAR data from Sentinel-1, we apply a long temporal-arc coherent change detection (LT-CCD) approach to track weekly damage trends over the first year of the 2023- Israel-Hamas War. We detect 92.5% of damage labels in reference data from the United Nations with a negligible (1.2%) false positive rate. The temporal fidelity of our approach reveals rapidly increasing damage during the first three months of the war focused in northern Gaza, a notable pause in damage during a temporary ceasefire, and surges of new damage as conflict hot-spots shift from north to south. Three-fifths (191,263) of all buildings are damaged or destroyed by the end of the study. With massive need for timely data on damage in armed conflict zones, our low-cost and low-latency approach enables rapid uptake of damage information at humanitarian and journalistic organizations.
☆ Plug-and-Play with 2.5D Artifact Reduction Prior for Fast and Accurate Industrial Computed Tomography Reconstruction
Cone-beam X-ray computed tomography (XCT) is an essential imaging technique for generating 3D reconstructions of internal structures, with applications ranging from medical to industrial imaging. Producing high-quality reconstructions typically requires many X-ray measurements; this process can be slow and expensive, especially for dense materials. Recent work incorporating artifact reduction priors within a plug-and-play (PnP) reconstruction framework has shown promising results in improving image quality from sparse-view XCT scans while enhancing the generalizability of deep learning-based solutions. However, this method uses a 2D convolutional neural network (CNN) for artifact reduction, which captures only slice-independent information from the 3D reconstruction, limiting performance. In this paper, we propose a PnP reconstruction method that uses a 2.5D artifact reduction CNN as the prior. This approach leverages inter-slice information from adjacent slices, capturing richer spatial context while remaining computationally efficient. We show that this 2.5D prior not only improves the quality of reconstructions but also enables the model to directly suppress commonly occurring XCT artifacts (such as beam hardening), eliminating the need for artifact correction pre-processing. Experiments on both experimental and synthetic cone-beam XCT data demonstrate that the proposed method better preserves fine structural details, such as pore size and shape, leading to more accurate defect detection compared to 2D priors. In particular, we demonstrate strong performance on experimental XCT data using a 2.5D artifact reduction prior trained entirely on simulated scans, highlighting the proposed method's ability to generalize across domains.
comment: Submitted to Journal of Nondestructive Evaluation
☆ DiFuse-Net: RGB and Dual-Pixel Depth Estimation using Window Bi-directional Parallax Attention and Cross-modal Transfer Learning
Depth estimation is crucial for intelligent systems, enabling applications from autonomous navigation to augmented reality. While traditional stereo and active depth sensors have limitations in cost, power, and robustness, dual-pixel (DP) technology, ubiquitous in modern cameras, offers a compelling alternative. This paper introduces DiFuse-Net, a novel modality decoupled network design for disentangled RGB and DP based depth estimation. DiFuse-Net features a window bi-directional parallax attention mechanism (WBiPAM) specifically designed to capture the subtle DP disparity cues unique to smartphone cameras with small aperture. A separate encoder extracts contextual information from the RGB image, and these features are fused to enhance depth prediction. We also propose a Cross-modal Transfer Learning (CmTL) mechanism to utilize large-scale RGB-D datasets in the literature to cope with the limitations of obtaining large-scale RGB-DP-D dataset. Our evaluation and comparison of the proposed method demonstrates its superiority over the DP and stereo-based baseline methods. Additionally, we contribute a new, high-quality, real-world RGB-DP-D training dataset, named Dual-Camera Dual-Pixel (DCDP) dataset, created using our novel symmetric stereo camera hardware setup, stereo calibration and rectification protocol, and AI stereo disparity estimation method.
comment: Accepted in IROS 2025
☆ Iterative Camera-LiDAR Extrinsic Optimization via Surrogate Diffusion
Cameras and LiDAR are essential sensors for autonomous vehicles. The fusion of camera and LiDAR data addresses the limitations of individual sensors but relies on precise extrinsic calibration. Recently, numerous end-to-end calibration methods have been proposed; however, most predict extrinsic parameters in a single step and lack iterative optimization capabilities. To address the increasing demand for higher accuracy, we propose a versatile iterative framework based on surrogate diffusion. This framework can enhance the performance of any calibration method without requiring architectural modifications. Specifically, the initial extrinsic parameters undergo iterative refinement through a denoising process, in which the original calibration method serves as a surrogate denoiser to estimate the final extrinsics at each step. For comparative analysis, we selected four state-of-the-art calibration methods as surrogate denoisers and compared the results of our diffusion process with those of two other iterative approaches. Extensive experiments demonstrate that when integrated with our diffusion model, all calibration methods achieve higher accuracy, improved robustness, and greater stability compared to other iterative techniques and their single-step counterparts.
comment: 7 pages, 4 figures, accepted by IROS 2025
☆ Towards Desiderata-Driven Design of Visual Counterfactual Explainers
Visual counterfactual explainers (VCEs) are a straightforward and promising approach to enhancing the transparency of image classifiers. VCEs complement other types of explanations, such as feature attribution, by revealing the specific data transformations to which a machine learning model responds most strongly. In this paper, we argue that existing VCEs focus too narrowly on optimizing sample quality or change minimality; they fail to consider the more holistic desiderata for an explanation, such as fidelity, understandability, and sufficiency. To address this shortcoming, we explore new mechanisms for counterfactual generation and investigate how they can help fulfill these desiderata. We combine these mechanisms into a novel 'smooth counterfactual explorer' (SCE) algorithm and demonstrate its effectiveness through systematic evaluations on synthetic and real data.
☆ YOLOv11-RGBT: Towards a Comprehensive Single-Stage Multispectral Object Detection Framework
Multispectral object detection, which integrates information from multiple bands, can enhance detection accuracy and environmental adaptability, holding great application potential across various fields. Although existing methods have made progress in cross-modal interaction, low-light conditions, and model lightweight, there are still challenges like the lack of a unified single-stage framework, difficulty in balancing performance and fusion strategy, and unreasonable modality weight allocation. To address these, based on the YOLOv11 framework, we present YOLOv11-RGBT, a new comprehensive multimodal object detection framework. We designed six multispectral fusion modes and successfully applied them to models from YOLOv3 to YOLOv12 and RT-DETR. After reevaluating the importance of the two modalities, we proposed a P3 mid-fusion strategy and multispectral controllable fine-tuning (MCF) strategy for multispectral models. These improvements optimize feature fusion, reduce redundancy and mismatches, and boost overall model performance. Experiments show our framework excels on three major open-source multispectral object detection datasets, like LLVIP and FLIR. Particularly, the multispectral controllable fine-tuning strategy significantly enhanced model adaptability and robustness. On the FLIR dataset, it consistently improved YOLOv11 models' mAP by 3.41%-5.65%, reaching a maximum of 47.61%, verifying the framework and strategies' effectiveness. The code is available at: https://github.com/wandahangFY/YOLOv11-RGBT.
comment: 28 pages, 8 figures
☆ FocalClick-XL: Towards Unified and High-quality Interactive Segmentation
Interactive segmentation enables users to extract binary masks of target objects through simple interactions such as clicks, scribbles, and boxes. However, existing methods often support only limited interaction forms and struggle to capture fine details. In this paper, we revisit the classical coarse-to-fine design of FocalClick and introduce significant extensions. Inspired by its multi-stage strategy, we propose a novel pipeline, FocalClick-XL, to address these challenges simultaneously. Following the emerging trend of large-scale pretraining, we decompose interactive segmentation into meta-tasks that capture different levels of information -- context, object, and detail -- assigning a dedicated subnet to each level.This decomposition allows each subnet to undergo scaled pretraining with independent data and supervision, maximizing its effectiveness. To enhance flexibility, we share context- and detail-level information across different interaction forms as common knowledge while introducing a prompting layer at the object level to encode specific interaction types. As a result, FocalClick-XL achieves state-of-the-art performance on click-based benchmarks and demonstrates remarkable adaptability to diverse interaction formats, including boxes, scribbles, and coarse masks. Beyond binary mask generation, it is also capable of predicting alpha mattes with fine-grained details, making it a versatile and powerful tool for interactive segmentation.
☆ Recognition through Reasoning: Reinforcing Image Geo-localization with Large Vision-Language Models
Previous methods for image geo-localization have typically treated the task as either classification or retrieval, often relying on black-box decisions that lack interpretability. The rise of large vision-language models (LVLMs) has enabled a rethinking of geo-localization as a reasoning-driven task grounded in visual cues. However, two major challenges persist. On the data side, existing reasoning-focused datasets are primarily based on street-view imagery, offering limited scene diversity and constrained viewpoints. On the modeling side, current approaches predominantly rely on supervised fine-tuning, which yields only marginal improvements in reasoning capabilities. To address these challenges, we propose a novel pipeline that constructs a reasoning-oriented geo-localization dataset, MP16-Reason, using diverse social media images. We introduce GLOBE, Group-relative policy optimization for Locatability assessment and Optimized visual-clue reasoning, yielding Bi-objective geo-Enhancement for the VLM in recognition and reasoning. GLOBE incorporates task-specific rewards that jointly enhance locatability assessment, visual clue reasoning, and geolocation accuracy. Both qualitative and quantitative results demonstrate that GLOBE outperforms state-of-the-art open-source LVLMs on geo-localization tasks, particularly in diverse visual scenes, while also generating more insightful and interpretable reasoning trajectories.
☆ DDS-NAS: Dynamic Data Selection within Neural Architecture Search via On-line Hard Example Mining applied to Image Classification
In order to address the scalability challenge within Neural Architecture Search (NAS), we speed up NAS training via dynamic hard example mining within a curriculum learning framework. By utilizing an autoencoder that enforces an image similarity embedding in latent space, we construct an efficient kd-tree structure to order images by furthest neighbour dissimilarity in a low-dimensional embedding. From a given query image from our subsample dataset, we can identify the most dissimilar image within the global dataset in logarithmic time. Via curriculum learning, we then dynamically re-formulate an unbiased subsample dataset for NAS optimisation, upon which the current NAS solution architecture performs poorly. We show that our DDS-NAS framework speeds up gradient-based NAS strategies by up to 27x without loss in performance. By maximising the contribution of each image sample during training, we reduce the duration of a NAS training cycle and the number of iterations required for convergence.
comment: 27 single-column pages, 8 figures, to be published in Pattern Recognition
☆ 3DGS-IEval-15K: A Large-scale Image Quality Evaluation Database for 3D Gaussian-Splatting
3D Gaussian Splatting (3DGS) has emerged as a promising approach for novel view synthesis, offering real-time rendering with high visual fidelity. However, its substantial storage requirements present significant challenges for practical applications. While recent state-of-the-art (SOTA) 3DGS methods increasingly incorporate dedicated compression modules, there is a lack of a comprehensive framework to evaluate their perceptual impact. Therefore we present 3DGS-IEval-15K, the first large-scale image quality assessment (IQA) dataset specifically designed for compressed 3DGS representations. Our dataset encompasses 15,200 images rendered from 10 real-world scenes through 6 representative 3DGS algorithms at 20 strategically selected viewpoints, with different compression levels leading to various distortion effects. Through controlled subjective experiments, we collect human perception data from 60 viewers. We validate dataset quality through scene diversity and MOS distribution analysis, and establish a comprehensive benchmark with 30 representative IQA metrics covering diverse types. As the largest-scale 3DGS quality assessment dataset to date, our work provides a foundation for developing 3DGS specialized IQA metrics, and offers essential data for investigating view-dependent quality distribution patterns unique to 3DGS. The database is publicly available at https://github.com/YukeXing/3DGS-IEval-15K.
☆ VisText-Mosquito: A Multimodal Dataset and Benchmark for AI-Based Mosquito Breeding Site Detection and Reasoning
Mosquito-borne diseases pose a major global health risk, requiring early detection and proactive control of breeding sites to prevent outbreaks. In this paper, we present VisText-Mosquito, a multimodal dataset that integrates visual and textual data to support automated detection, segmentation, and reasoning for mosquito breeding site analysis. The dataset includes 1,828 annotated images for object detection, 142 images for water surface segmentation, and natural language reasoning texts linked to each image. The YOLOv9s model achieves the highest precision of 0.92926 and mAP@50 of 0.92891 for object detection, while YOLOv11n-Seg reaches a segmentation precision of 0.91587 and mAP@50 of 0.79795. For reasoning generation, our fine-tuned BLIP model achieves a final loss of 0.0028, with a BLEU score of 54.7, BERTScore of 0.91, and ROUGE-L of 0.87. This dataset and model framework emphasize the theme "Prevention is Better than Cure", showcasing how AI-based detection can proactively address mosquito-borne disease risks. The dataset and implementation code are publicly available at GitHub: https://github.com/adnanul-islam-jisun/VisText-Mosquito
☆ Unsupervised Imaging Inverse Problems with Diffusion Distribution Matching
This work addresses image restoration tasks through the lens of inverse problems using unpaired datasets. In contrast to traditional approaches -- which typically assume full knowledge of the forward model or access to paired degraded and ground-truth images -- the proposed method operates under minimal assumptions and relies only on small, unpaired datasets. This makes it particularly well-suited for real-world scenarios, where the forward model is often unknown or misspecified, and collecting paired data is costly or infeasible. The method leverages conditional flow matching to model the distribution of degraded observations, while simultaneously learning the forward model via a distribution-matching loss that arises naturally from the framework. Empirically, it outperforms both single-image blind and unsupervised approaches on deblurring and non-uniform point spread function (PSF) calibration tasks. It also matches state-of-the-art performance on blind super-resolution. We also showcase the effectiveness of our method with a proof of concept for lens calibration: a real-world application traditionally requiring time-consuming experiments and specialized equipment. In contrast, our approach achieves this with minimal data acquisition effort.
comment: Code available at https://github.com/inria-thoth/ddm4ip
☆ Align Your Flow: Scaling Continuous-Time Flow Map Distillation
Diffusion- and flow-based models have emerged as state-of-the-art generative modeling approaches, but they require many sampling steps. Consistency models can distill these models into efficient one-step generators; however, unlike flow- and diffusion-based methods, their performance inevitably degrades when increasing the number of steps, which we show both analytically and empirically. Flow maps generalize these approaches by connecting any two noise levels in a single step and remain effective across all step counts. In this paper, we introduce two new continuous-time objectives for training flow maps, along with additional novel training techniques, generalizing existing consistency and flow matching objectives. We further demonstrate that autoguidance can improve performance, using a low-quality model for guidance during distillation, and an additional boost can be achieved by adversarial finetuning, with minimal loss in sample diversity. We extensively validate our flow map models, called Align Your Flow, on challenging image generation benchmarks and achieve state-of-the-art few-step generation performance on both ImageNet 64x64 and 512x512, using small and efficient neural networks. Finally, we show text-to-image flow map models that outperform all existing non-adversarially trained few-step samplers in text-conditioned synthesis.
comment: Project page: https://research.nvidia.com/labs/toronto-ai/AlignYourFlow/
☆ PoseGRAF: Geometric-Reinforced Adaptive Fusion for Monocular 3D Human Pose Estimation
Existing monocular 3D pose estimation methods primarily rely on joint positional features, while overlooking intrinsic directional and angular correlations within the skeleton. As a result, they often produce implausible poses under joint occlusions or rapid motion changes. To address these challenges, we propose the PoseGRAF framework. We first construct a dual graph convolutional structure that separately processes joint and bone graphs, effectively capturing their local dependencies. A Cross-Attention module is then introduced to model interdependencies between bone directions and joint features. Building upon this, a dynamic fusion module is designed to adaptively integrate both feature types by leveraging the relational dependencies between joints and bones. An improved Transformer encoder is further incorporated in a residual manner to generate the final output. Experimental results on the Human3.6M and MPI-INF-3DHP datasets show that our method exceeds state-of-the-art approaches. Additional evaluations on in-the-wild videos further validate its generalizability. The code is publicly available at https://github.com/iCityLab/PoseGRAF.
☆ Synthetic Data Augmentation for Table Detection: Re-evaluating TableNet's Performance with Automatically Generated Document Images
Document pages captured by smartphones or scanners often contain tables, yet manual extraction is slow and error-prone. We introduce an automated LaTeX-based pipeline that synthesizes realistic two-column pages with visually diverse table layouts and aligned ground-truth masks. The generated corpus augments the real-world Marmot benchmark and enables a systematic resolution study of TableNet. Training TableNet on our synthetic data achieves a pixel-wise XOR error of 4.04% on our synthetic test set with a 256x256 input resolution, and 4.33% with 1024x1024. The best performance on the Marmot benchmark is 9.18% (at 256x256), while cutting manual annotation effort through automation.
☆ Busting the Paper Ballot: Voting Meets Adversarial Machine Learning
We show the security risk associated with using machine learning classifiers in United States election tabulators. The central classification task in election tabulation is deciding whether a mark does or does not appear on a bubble associated to an alternative in a contest on the ballot. Barretto et al. (E-Vote-ID 2021) reported that convolutional neural networks are a viable option in this field, as they outperform simple feature-based classifiers. Our contributions to election security can be divided into four parts. To demonstrate and analyze the hypothetical vulnerability of machine learning models on election tabulators, we first introduce four new ballot datasets. Second, we train and test a variety of different models on our new datasets. These models include support vector machines, convolutional neural networks (a basic CNN, VGG and ResNet), and vision transformers (Twins and CaiT). Third, using our new datasets and trained models, we demonstrate that traditional white box attacks are ineffective in the voting domain due to gradient masking. Our analyses further reveal that gradient masking is a product of numerical instability. We use a modified difference of logits ratio loss to overcome this issue (Croce and Hein, ICML 2020). Fourth, in the physical world, we conduct attacks with the adversarial examples generated using our new methods. In traditional adversarial machine learning, a high (50% or greater) attack success rate is ideal. However, for certain elections, even a 5% attack success rate can flip the outcome of a race. We show such an impact is possible in the physical domain. We thoroughly discuss attack realism, and the challenges and practicality associated with printing and scanning ballot adversarial examples.
comment: 18 Pages. Author version of article to appear at CCS 2025
☆ Risk Estimation of Knee Osteoarthritis Progression via Predictive Multi-task Modelling from Efficient Diffusion Model using X-ray Images
Medical imaging plays a crucial role in assessing knee osteoarthritis (OA) risk by enabling early detection and disease monitoring. Recent machine learning methods have improved risk estimation (i.e., predicting the likelihood of disease progression) and predictive modelling (i.e., the forecasting of future outcomes based on current data) using medical images, but clinical adoption remains limited due to their lack of interpretability. Existing approaches that generate future images for risk estimation are complex and impractical. Additionally, previous methods fail to localize anatomical knee landmarks, limiting interpretability. We address these gaps with a new interpretable machine learning method to estimate the risk of knee OA progression via multi-task predictive modelling that classifies future knee OA severity and predicts anatomical knee landmarks from efficiently generated high-quality future images. Such image generation is achieved by leveraging a diffusion model in a class-conditioned latent space to forecast disease progression, offering a visual representation of how particular health conditions may evolve. Applied to the Osteoarthritis Initiative dataset, our approach improves the state-of-the-art (SOTA) by 2\%, achieving an AUC of 0.71 in predicting knee OA progression while offering ~9% faster inference time.
☆ DreamLight: Towards Harmonious and Consistent Image Relighting
We introduce a model named DreamLight for universal image relighting in this work, which can seamlessly composite subjects into a new background while maintaining aesthetic uniformity in terms of lighting and color tone. The background can be specified by natural images (image-based relighting) or generated from unlimited text prompts (text-based relighting). Existing studies primarily focus on image-based relighting, while with scant exploration into text-based scenarios. Some works employ intricate disentanglement pipeline designs relying on environment maps to provide relevant information, which grapples with the expensive data cost required for intrinsic decomposition and light source. Other methods take this task as an image translation problem and perform pixel-level transformation with autoencoder architecture. While these methods have achieved decent harmonization effects, they struggle to generate realistic and natural light interaction effects between the foreground and background. To alleviate these challenges, we reorganize the input data into a unified format and leverage the semantic prior provided by the pretrained diffusion model to facilitate the generation of natural results. Moreover, we propose a Position-Guided Light Adapter (PGLA) that condenses light information from different directions in the background into designed light query embeddings, and modulates the foreground with direction-biased masked attention. In addition, we present a post-processing module named Spectral Foreground Fixer (SFF) to adaptively reorganize different frequency components of subject and relighted background, which helps enhance the consistency of foreground appearance. Extensive comparisons and user study demonstrate that our DreamLight achieves remarkable relighting performance.
☆ MobileHolo: A Lightweight Complex-Valued Deformable CNN for High-Quality Computer-Generated Hologram
Holographic displays have significant potential in virtual reality and augmented reality owing to their ability to provide all the depth cues. Deep learning-based methods play an important role in computer-generated holograms (CGH). During the diffraction process, each pixel exerts an influence on the reconstructed image. However, previous works face challenges in capturing sufficient information to accurately model this process, primarily due to the inadequacy of their effective receptive field (ERF). Here, we designed complex-valued deformable convolution for integration into network, enabling dynamic adjustment of the convolution kernel's shape to increase flexibility of ERF for better feature extraction. This approach allows us to utilize a single model while achieving state-of-the-art performance in both simulated and optical experiment reconstructions, surpassing existing open-source models. Specifically, our method has a peak signal-to-noise ratio that is 2.04 dB, 5.31 dB, and 9.71 dB higher than that of CCNN-CGH, HoloNet, and Holo-encoder, respectively, when the resolution is 1920$\times$1072. The number of parameters of our model is only about one-eighth of that of CCNN-CGH.
comment: 8 pages, 9 figures
☆ Exploring Diffusion with Test-Time Training on Efficient Image Restoration
Image restoration faces challenges including ineffective feature fusion, computational bottlenecks and inefficient diffusion processes. To address these, we propose DiffRWKVIR, a novel framework unifying Test-Time Training (TTT) with efficient diffusion. Our approach introduces three key innovations: (1) Omni-Scale 2D State Evolution extends RWKV's location-dependent parameterization to hierarchical multi-directional 2D scanning, enabling global contextual awareness with linear complexity O(L); (2) Chunk-Optimized Flash Processing accelerates intra-chunk parallelism by 3.2x via contiguous chunk processing (O(LCd) complexity), reducing sequential dependencies and computational overhead; (3) Prior-Guided Efficient Diffusion extracts a compact Image Prior Representation (IPR) in only 5-20 steps, proving 45% faster training/inference than DiffIR while solving computational inefficiency in denoising. Evaluated across super-resolution and inpainting benchmarks (Set5, Set14, BSD100, Urban100, Places365), DiffRWKVIR outperforms SwinIR, HAT, and MambaIR/v2 in PSNR, SSIM, LPIPS, and efficiency metrics. Our method establishes a new paradigm for adaptive, high-efficiency image restoration with optimized hardware utilization.
comment: Submitted to The 8th Chinese Conference on Pattern Recognition and Computer Vision (2025). Contact to nomodeset@qq.com. Source code will open in 4 months
☆ VisLanding: Monocular 3D Perception for UAV Safe Landing via Depth-Normal Synergy
This paper presents VisLanding, a monocular 3D perception-based framework for safe UAV (Unmanned Aerial Vehicle) landing. Addressing the core challenge of autonomous UAV landing in complex and unknown environments, this study innovatively leverages the depth-normal synergy prediction capabilities of the Metric3D V2 model to construct an end-to-end safe landing zones (SLZ) estimation framework. By introducing a safe zone segmentation branch, we transform the landing zone estimation task into a binary semantic segmentation problem. The model is fine-tuned and annotated using the WildUAV dataset from a UAV perspective, while a cross-domain evaluation dataset is constructed to validate the model's robustness. Experimental results demonstrate that VisLanding significantly enhances the accuracy of safe zone identification through a depth-normal joint optimization mechanism, while retaining the zero-shot generalization advantages of Metric3D V2. The proposed method exhibits superior generalization and robustness in cross-domain testing compared to other approaches. Furthermore, it enables the estimation of landing zone area by integrating predicted depth and normal information, providing critical decision-making support for practical applications.
comment: Accepted by IROS2025
☆ Integrating Radiomics with Deep Learning Enhances Multiple Sclerosis Lesion Delineation
Background: Accurate lesion segmentation is critical for multiple sclerosis (MS) diagnosis, yet current deep learning approaches face robustness challenges. Aim: This study improves MS lesion segmentation by combining data fusion and deep learning techniques. Materials and Methods: We suggested novel radiomic features (concentration rate and R\'enyi entropy) to characterize different MS lesion types and fused these with raw imaging data. The study integrated radiomic features with imaging data through a ResNeXt-UNet architecture and attention-augmented U-Net architecture. Our approach was evaluated on scans from 46 patients (1102 slices), comparing performance before and after data fusion. Results: The radiomics-enhanced ResNeXt-UNet demonstrated high segmentation accuracy, achieving significant improvements in precision and sensitivity over the MRI-only baseline and a Dice score of 0.774$\pm$0.05; p<0.001 according to Bonferroni-adjusted Wilcoxon signed-rank tests. The radiomics-enhanced attention-augmented U-Net model showed a greater model stability evidenced by reduced performance variability (SDD = 0.18 $\pm$ 0.09 vs. 0.21 $\pm$ 0.06; p=0.03) and smoother validation curves with radiomics integration. Conclusion: These results validate our hypothesis that fusing radiomics with raw imaging data boosts segmentation performance and stability in state-of-the-art models.
☆ Train Once, Forget Precisely: Anchored Optimization for Efficient Post-Hoc Unlearning ICML
As machine learning systems increasingly rely on data subject to privacy regulation, selectively unlearning specific information from trained models has become essential. In image classification, this involves removing the influence of particular training samples, semantic classes, or visual styles without full retraining. We introduce \textbf{Forget-Aligned Model Reconstruction (FAMR)}, a theoretically grounded and computationally efficient framework for post-hoc unlearning in deep image classifiers. FAMR frames forgetting as a constrained optimization problem that minimizes a uniform-prediction loss on the forget set while anchoring model parameters to their original values via an $\ell_2$ penalty. A theoretical analysis links FAMR's solution to influence-function-based retraining approximations, with bounds on parameter and output deviation. Empirical results on class forgetting tasks using CIFAR-10 and ImageNet-100 demonstrate FAMR's effectiveness, with strong performance retention and minimal computational overhead. The framework generalizes naturally to concept and style erasure, offering a scalable and certifiable route to efficient post-hoc forgetting in vision models.
comment: Accepted at ICML MUGen'25
☆ GAMORA: A Gesture Articulated Meta Operative Robotic Arm for Hazardous Material Handling in Containment-Level Environments
The convergence of robotics and virtual reality (VR) has enabled safer and more efficient workflows in high-risk laboratory settings, particularly virology labs. As biohazard complexity increases, minimizing direct human exposure while maintaining precision becomes essential. We propose GAMORA (Gesture Articulated Meta Operative Robotic Arm), a novel VR-guided robotic system that enables remote execution of hazardous tasks using natural hand gestures. Unlike existing scripted automation or traditional teleoperation, GAMORA integrates the Oculus Quest 2, NVIDIA Jetson Nano, and Robot Operating System (ROS) to provide real-time immersive control, digital twin simulation, and inverse kinematics-based articulation. The system supports VR-based training and simulation while executing precision tasks in physical environments via a 3D-printed robotic arm. Inverse kinematics ensure accurate manipulation for delicate operations such as specimen handling and pipetting. The pipeline includes Unity-based 3D environment construction, real-time motion planning, and hardware-in-the-loop testing. GAMORA achieved a mean positional discrepancy of 2.2 mm (improved from 4 mm), pipetting accuracy within 0.2 mL, and repeatability of 1.2 mm across 50 trials. Integrated object detection via YOLOv8 enhances spatial awareness, while energy-efficient operation (50% reduced power output) ensures sustainable deployment. The system's digital-physical feedback loop enables safe, precise, and repeatable automation of high-risk lab tasks. GAMORA offers a scalable, immersive solution for robotic control and biosafety in biomedical research environments.
☆ SIRI-Bench: Challenging VLMs' Spatial Intelligence through Complex Reasoning Tasks
Large Language Models (LLMs) are experiencing rapid advancements in complex reasoning, exhibiting remarkable generalization in mathematics and programming. In contrast, while spatial intelligence is fundamental for Vision-Language Models (VLMs) in real-world interaction, the systematic evaluation of their complex reasoning ability within spatial contexts remains underexplored. To bridge this gap, we introduce SIRI-Bench, a benchmark designed to evaluate VLMs' spatial intelligence through video-based reasoning tasks. SIRI-Bench comprises nearly 1K video-question-answer triplets, where each problem is embedded in a realistic 3D scene and captured by video. By carefully designing questions and corresponding 3D scenes, our benchmark ensures that solving the questions requires both spatial comprehension for extracting information and high-level reasoning for deriving solutions, making it a challenging benchmark for evaluating VLMs. To facilitate large-scale data synthesis, we develop an Automatic Scene Creation Engine. This engine, leveraging multiple specialized LLM agents, can generate realistic 3D scenes from abstract math problems, ensuring faithfulness to the original descriptions. Experimental results reveal that state-of-the-art VLMs struggle significantly on SIRI-Bench, underscoring the challenge of spatial reasoning. We hope that our study will bring researchers' attention to spatially grounded reasoning and advance VLMs in visual problem-solving.
comment: 16 pages, 9 figures
☆ MOL: Joint Estimation of Micro-Expression, Optical Flow, and Landmark via Transformer-Graph-Style Convolution
Facial micro-expression recognition (MER) is a challenging problem, due to transient and subtle micro-expression (ME) actions. Most existing methods depend on hand-crafted features, key frames like onset, apex, and offset frames, or deep networks limited by small-scale and low-diversity datasets. In this paper, we propose an end-to-end micro-action-aware deep learning framework with advantages from transformer, graph convolution, and vanilla convolution. In particular, we propose a novel F5C block composed of fully-connected convolution and channel correspondence convolution to directly extract local-global features from a sequence of raw frames, without the prior knowledge of key frames. The transformer-style fully-connected convolution is proposed to extract local features while maintaining global receptive fields, and the graph-style channel correspondence convolution is introduced to model the correlations among feature patterns. Moreover, MER, optical flow estimation, and facial landmark detection are jointly trained by sharing the local-global features. The two latter tasks contribute to capturing facial subtle action information for MER, which can alleviate the impact of insufficient training data. Extensive experiments demonstrate that our framework (i) outperforms the state-of-the-art MER methods on CASME II, SAMM, and SMIC benchmarks, (ii) works well for optical flow estimation and facial landmark detection, and (iii) can capture facial subtle muscle actions in local regions associated with MEs. The code is available at https://github.com/CYF-cuber/MOL.
comment: This paper has been accepted by IEEE Transactions on Pattern Analysis and Machine Intelligence
☆ Towards Reliable WMH Segmentation under Domain Shift: An Application Study using Maximum Entropy Regularization to Improve Uncertainty Estimation
Accurate segmentation of white matter hyperintensities (WMH) is crucial for clinical decision-making, particularly in the context of multiple sclerosis. However, domain shifts, such as variations in MRI machine types or acquisition parameters, pose significant challenges to model calibration and uncertainty estimation. This study investigates the impact of domain shift on WMH segmentation by proposing maximum-entropy regularization techniques to enhance model calibration and uncertainty estimation, with the purpose of identifying errors post-deployment using predictive uncertainty as a proxy measure that does not require ground-truth labels. To do this, we conducted experiments using a U-Net architecture to evaluate these regularization schemes on two publicly available datasets, assessing performance with the Dice coefficient, expected calibration error, and entropy-based uncertainty estimates. Our results show that entropy-based uncertainty estimates can anticipate segmentation errors, and that maximum-entropy regularization further strengthens the correlation between uncertainty and segmentation performance while also improving model calibration under domain shift.
comment: 32 pages, 7 figures
☆ I Speak and You Find: Robust 3D Visual Grounding with Noisy and Ambiguous Speech Inputs
Existing 3D visual grounding methods rely on precise text prompts to locate objects within 3D scenes. Speech, as a natural and intuitive modality, offers a promising alternative. Real-world speech inputs, however, often suffer from transcription errors due to accents, background noise, and varying speech rates, limiting the applicability of existing 3DVG methods. To address these challenges, we propose \textbf{SpeechRefer}, a novel 3DVG framework designed to enhance performance in the presence of noisy and ambiguous speech-to-text transcriptions. SpeechRefer integrates seamlessly with xisting 3DVG models and introduces two key innovations. First, the Speech Complementary Module captures acoustic similarities between phonetically related words and highlights subtle distinctions, generating complementary proposal scores from the speech signal. This reduces dependence on potentially erroneous transcriptions. Second, the Contrastive Complementary Module employs contrastive learning to align erroneous text features with corresponding speech features, ensuring robust performance even when transcription errors dominate. Extensive experiments on the SpeechRefer and peechNr3D datasets demonstrate that SpeechRefer improves the performance of existing 3DVG methods by a large margin, which highlights SpeechRefer's potential to bridge the gap between noisy speech inputs and reliable 3DVG, enabling more intuitive and practical multimodal systems.
Foundation Model Insights and a Multi-Model Approach for Superior Fine-Grained One-shot Subset Selection ICML 2025
One-shot subset selection serves as an effective tool to reduce deep learning training costs by identifying an informative data subset based on the information extracted by an information extractor (IE). Traditional IEs, typically pre-trained on the target dataset, are inherently dataset-dependent. Foundation models (FMs) offer a promising alternative, potentially mitigating this limitation. This work investigates two key questions: (1) Can FM-based subset selection outperform traditional IE-based methods across diverse datasets? (2) Do all FMs perform equally well as IEs for subset selection? Extensive experiments uncovered surprising insights: FMs consistently outperform traditional IEs on fine-grained datasets, whereas their advantage diminishes on coarse-grained datasets with noisy labels. Motivated by these finding, we propose RAM-APL (RAnking Mean-Accuracy of Pseudo-class Labels), a method tailored for fine-grained image datasets. RAM-APL leverages multiple FMs to enhance subset selection by exploiting their complementary strengths. Our approach achieves state-of-the-art performance on fine-grained datasets, including Oxford-IIIT Pet, Food-101, and Caltech-UCSD Birds-200-2011.
comment: 18 pages, 10 figures, accepted by ICML 2025
☆ Dense360: Dense Understanding from Omnidirectional Panoramas
Multimodal Large Language Models (MLLMs) require comprehensive visual inputs to achieve dense understanding of the physical world. While existing MLLMs demonstrate impressive world understanding capabilities through limited field-of-view (FOV) visual inputs (e.g., 70 degree), we take the first step toward dense understanding from omnidirectional panoramas. We first introduce an omnidirectional panoramas dataset featuring a comprehensive suite of reliability-scored annotations. Specifically, our dataset contains 160K panoramas with 5M dense entity-level captions, 1M unique referring expressions, and 100K entity-grounded panoramic scene descriptions. Compared to multi-view alternatives, panoramas can provide more complete, compact, and continuous scene representations through equirectangular projections (ERP). However, the use of ERP introduces two key challenges for MLLMs: i) spatial continuity along the circle of latitude, and ii) latitude-dependent variation in information density. We address these challenges through ERP-RoPE, a position encoding scheme specifically designed for panoramic ERP. In addition, we introduce Dense360-Bench, the first benchmark for evaluating MLLMs on omnidirectional captioning and grounding, establishing a comprehensive framework for advancing dense visual-language understanding in panoramic settings.
☆ Adapting Lightweight Vision Language Models for Radiological Visual Question Answering
Recent advancements in vision-language systems have improved the accuracy of Radiological Visual Question Answering (VQA) Models. However, some challenges remain across each stage of model development: limited expert-labeled images hinders data procurement at scale; the intricate and nuanced patterns of radiological images make modeling inherently difficult; and the lack of evaluation evaluation efforts makes it difficult to identify cases where the model might be ill-conditioned. In this study, we fine-tune a lightweight 3B parameter vision-language model for Radiological VQA, demonstrating that small models, when appropriately tuned with curated data, can achieve robust performance across both open- and closed-ended questions. We propose a cost-effective training pipeline from synthetic question-answer pair generation to multi-stage fine-tuning on specialised radiological domain-targeted datasets (e.g., ROCO v2.0, MedPix v2.0). Our results show that despite operating at a fraction of the scale of state-of-the-art models such as LLaVA-Med, our model achieves promising performance given its small parameter size and the limited scale of training data. We introduce a lightweight saliency-based diagnostic tool that enables domain experts to inspect VQA model performance and identify ill-conditioned failure modes through saliency analysis.
☆ Model compression using knowledge distillation with integrated gradients
Model compression is critical for deploying deep learning models on resource-constrained devices. We introduce a novel method enhancing knowledge distillation with integrated gradients (IG) as a data augmentation strategy. Our approach overlays IG maps onto input images during training, providing student models with deeper insights into teacher models' decision-making processes. Extensive evaluation on CIFAR-10 demonstrates that our IG-augmented knowledge distillation achieves 92.6% testing accuracy with a 4.1x compression factor-a significant 1.1 percentage point improvement ($p<0.001$) over non-distilled models (91.5%). This compression reduces inference time from 140 ms to 13 ms. Our method precomputes IG maps before training, transforming substantial runtime costs into a one-time preprocessing step. Our comprehensive experiments include: (1) comparisons with attention transfer, revealing complementary benefits when combined with our approach; (2) Monte Carlo simulations confirming statistical robustness; (3) systematic evaluation of compression factor versus accuracy trade-offs across a wide range (2.2x-1122x); and (4) validation on an ImageNet subset aligned with CIFAR-10 classes, demonstrating generalisability beyond the initial dataset. These extensive ablation studies confirm that IG-based knowledge distillation consistently outperforms conventional approaches across varied architectures and compression ratios. Our results establish this framework as a viable compression technique for real-world deployment on edge devices while maintaining competitive accuracy.
comment: 49 pages, 12 figures
☆ MoTE: Mixture of Ternary Experts for Memory-efficient Large Multimodal Models
Large multimodal Mixture-of-Experts (MoEs) effectively scale the model size to boost performance while maintaining fixed active parameters. However, previous works primarily utilized full-precision experts during sparse up-cycling. Despite they show superior performance on end tasks, the large amount of experts introduces higher memory footprint, which poses significant challenges for the deployment on edge devices. In this work, we propose MoTE, a scalable and memory-efficient approach to train Mixture-of-Ternary-Experts models from dense checkpoint. Instead of training fewer high-precision experts, we propose to train more low-precision experts during up-cycling. Specifically, we use the pre-trained FFN as a shared expert and train ternary routed experts with parameters in {-1, 0, 1}. Extensive experiments show that our approach has promising scaling trend along model size. MoTE achieves comparable performance to full-precision baseline MoE-LLaVA while offering lower memory footprint. Furthermore, our approach is compatible with post-training quantization methods and the advantage further amplifies when memory-constraint goes lower. Given the same amount of expert memory footprint of 3.4GB and combined with post-training quantization, MoTE outperforms MoE-LLaVA by a gain of 4.3% average accuracy on end tasks, demonstrating its effectiveness and potential for memory-constrained devices.
comment: Work in progress
☆ A large-scale heterogeneous 3D magnetic resonance brain imaging dataset for self-supervised learning
We present FOMO60K, a large-scale, heterogeneous dataset of 60,529 brain Magnetic Resonance Imaging (MRI) scans from 13,900 sessions and 11,187 subjects, aggregated from 16 publicly available sources. The dataset includes both clinical- and research-grade images, multiple MRI sequences, and a wide range of anatomical and pathological variability, including scans with large brain anomalies. Minimal preprocessing was applied to preserve the original image characteristics while reducing barriers to entry for new users. Accompanying code for self-supervised pretraining and finetuning is provided. FOMO60K is intended to support the development and benchmarking of self-supervised learning methods in medical imaging at scale.
☆ Toward Rich Video Human-Motion2D Generation
Generating realistic and controllable human motions, particularly those involving rich multi-character interactions, remains a significant challenge due to data scarcity and the complexities of modeling inter-personal dynamics. To address these limitations, we first introduce a new large-scale rich video human motion 2D dataset (Motion2D-Video-150K) comprising 150,000 video sequences. Motion2D-Video-150K features a balanced distribution of diverse single-character and, crucially, double-character interactive actions, each paired with detailed textual descriptions. Building upon this dataset, we propose a novel diffusion-based rich video human motion2D generation (RVHM2D) model. RVHM2D incorporates an enhanced textual conditioning mechanism utilizing either dual text encoders (CLIP-L/B) or T5-XXL with both global and local features. We devise a two-stage training strategy: the model is first trained with a standard diffusion objective, and then fine-tuned using reinforcement learning with an FID-based reward to further enhance motion realism and text alignment. Extensive experiments demonstrate that RVHM2D achieves leading performance on the Motion2D-Video-150K benchmark in generating both single and interactive double-character scenarios.
☆ Compositional Attribute Imbalance in Vision Datasets
Visual attribute imbalance is a common yet underexplored issue in image classification, significantly impacting model performance and generalization. In this work, we first define the first-level and second-level attributes of images and then introduce a CLIP-based framework to construct a visual attribute dictionary, enabling automatic evaluation of image attributes. By systematically analyzing both single-attribute imbalance and compositional attribute imbalance, we reveal how the rarity of attributes affects model performance. To tackle these challenges, we propose adjusting the sampling probability of samples based on the rarity of their compositional attributes. This strategy is further integrated with various data augmentation techniques (such as CutMix, Fmix, and SaliencyMix) to enhance the model's ability to represent rare attributes. Extensive experiments on benchmark datasets demonstrate that our method effectively mitigates attribute imbalance, thereby improving the robustness and fairness of deep neural networks. Our research highlights the importance of modeling visual attribute distributions and provides a scalable solution for long-tail image classification tasks.
☆ Causally Steered Diffusion for Automated Video Counterfactual Generation
Adapting text-to-image (T2I) latent diffusion models for video editing has shown strong visual fidelity and controllability, but challenges remain in maintaining causal relationships in video content. Edits affecting causally dependent attributes risk generating unrealistic or misleading outcomes if these relationships are ignored. In this work, we propose a causally faithful framework for counterfactual video generation, guided by a vision-language model (VLM). Our method is agnostic to the underlying video editing system and does not require access to its internal mechanisms or finetuning. Instead, we guide the generation by optimizing text prompts based on an assumed causal graph, addressing the challenge of latent space control in LDMs. We evaluate our approach using standard video quality metrics and counterfactual-specific criteria, such as causal effectiveness and minimality. Our results demonstrate that causally faithful video counterfactuals can be effectively generated within the learned distribution of LDMs through prompt-based causal steering. With its compatibility with any black-box video editing system, our method holds significant potential for generating realistic "what-if" video scenarios in diverse areas such as healthcare and digital media.
☆ Decoupled Classifier-Free Guidance for Counterfactual Diffusion Models
Counterfactual image generation aims to simulate realistic visual outcomes under specific causal interventions. Diffusion models have recently emerged as a powerful tool for this task, combining DDIM inversion with conditional generation via classifier-free guidance (CFG). However, standard CFG applies a single global weight across all conditioning variables, which can lead to poor identity preservation and spurious attribute changes - a phenomenon known as attribute amplification. To address this, we propose Decoupled Classifier-Free Guidance (DCFG), a flexible and model-agnostic framework that introduces group-wise conditioning control. DCFG builds on an attribute-split embedding strategy that disentangles semantic inputs, enabling selective guidance on user-defined attribute groups. For counterfactual generation, we partition attributes into intervened and invariant sets based on a causal graph and apply distinct guidance to each. Experiments on CelebA-HQ, MIMIC-CXR, and EMBED show that DCFG improves intervention fidelity, mitigates unintended changes, and enhances reversibility, enabling more faithful and interpretable counterfactual image generation.
☆ Enclosing Prototypical Variational Autoencoder for Explainable Out-of-Distribution Detection
Understanding the decision-making and trusting the reliability of Deep Machine Learning Models is crucial for adopting such methods to safety-relevant applications. We extend self-explainable Prototypical Variational models with autoencoder-based out-of-distribution (OOD) detection: A Variational Autoencoder is applied to learn a meaningful latent space which can be used for distance-based classification, likelihood estimation for OOD detection, and reconstruction. The In-Distribution (ID) region is defined by a Gaussian mixture distribution with learned prototypes representing the center of each mode. Furthermore, a novel restriction loss is introduced that promotes a compact ID region in the latent space without collapsing it into single points. The reconstructive capabilities of the Autoencoder ensure the explainability of the prototypes and the ID region of the classifier, further aiding the discrimination of OOD samples. Extensive evaluations on common OOD detection benchmarks as well as a large-scale dataset from a real-world railway application demonstrate the usefulness of the approach, outperforming previous methods.
comment: This preprint has not undergone peer review or any post-submission improvements or corrections. The Version of Record of this contribution is published in Computer Safety, Reliability and Security - SAFECOMP 2024 Workshops - DECSoS, SASSUR, TOASTS, and WAISE, and is available online at https://doi.org/10.1007/978-3-031-68738-9_29
☆ GrFormer: A Novel Transformer on Grassmann Manifold for Infrared and Visible Image Fusion
In the field of image fusion, promising progress has been made by modeling data from different modalities as linear subspaces. However, in practice, the source images are often located in a non-Euclidean space, where the Euclidean methods usually cannot encapsulate the intrinsic topological structure. Typically, the inner product performed in the Euclidean space calculates the algebraic similarity rather than the semantic similarity, which results in undesired attention output and a decrease in fusion performance. While the balance of low-level details and high-level semantics should be considered in infrared and visible image fusion task. To address this issue, in this paper, we propose a novel attention mechanism based on Grassmann manifold for infrared and visible image fusion (GrFormer). Specifically, our method constructs a low-rank subspace mapping through projection constraints on the Grassmann manifold, compressing attention features into subspaces of varying rank levels. This forces the features to decouple into high-frequency details (local low-rank) and low-frequency semantics (global low-rank), thereby achieving multi-scale semantic fusion. Additionally, to effectively integrate the significant information, we develop a cross-modal fusion strategy (CMS) based on a covariance mask to maximise the complementary properties between different modalities and to suppress the features with high correlation, which are deemed redundant. The experimental results demonstrate that our network outperforms SOTA methods both qualitatively and quantitatively on multiple image fusion benchmarks. The codes are available at https://github.com/Shaoyun2023.
comment: 16 pages, 11 figures
☆ DepthSeg: Depth prompting in remote sensing semantic segmentation
Remote sensing semantic segmentation is crucial for extracting detailed land surface information, enabling applications such as environmental monitoring, land use planning, and resource assessment. In recent years, advancements in artificial intelligence have spurred the development of automatic remote sensing semantic segmentation methods. However, the existing semantic segmentation methods focus on distinguishing spectral characteristics of different objects while ignoring the differences in the elevation of the different targets. This results in land cover misclassification in complex scenarios involving shadow occlusion and spectral confusion. In this paper, we introduce a depth prompting two-dimensional (2D) remote sensing semantic segmentation framework (DepthSeg). It automatically models depth/height information from 2D remote sensing images and integrates it into the semantic segmentation framework to mitigate the effects of spectral confusion and shadow occlusion. During the feature extraction phase of DepthSeg, we introduce a lightweight adapter to enable cost-effective fine-tuning of the large-parameter vision transformer encoder pre-trained by natural images. In the depth prompting phase, we propose a depth prompter to model depth/height features explicitly. In the semantic prediction phase, we introduce a semantic classification decoder that couples the depth prompts with high-dimensional land-cover features, enabling accurate extraction of land-cover types. Experiments on the LiuZhou dataset validate the advantages of the DepthSeg framework in land cover mapping tasks. Detailed ablation studies further highlight the significance of the depth prompts in remote sensing semantic segmentation.
☆ Compressed Video Super-Resolution based on Hierarchical Encoding
This paper presents a general-purpose video super-resolution (VSR) method, dubbed VSR-HE, specifically designed to enhance the perceptual quality of compressed content. Targeting scenarios characterized by heavy compression, the method upscales low-resolution videos by a ratio of four, from 180p to 720p or from 270p to 1080p. VSR-HE adopts hierarchical encoding transformer blocks and has been sophisticatedly optimized to eliminate a wide range of compression artifacts commonly introduced by H.265/HEVC encoding across various quantization parameter (QP) levels. To ensure robustness and generalization, the model is trained and evaluated under diverse compression settings, allowing it to effectively restore fine-grained details and preserve visual fidelity. The proposed VSR-HE has been officially submitted to the ICME 2025 Grand Challenge on VSR for Video Conferencing (Team BVI-VSR), under both the Track 1 (General-Purpose Real-World Video Content) and Track 2 (Talking Head Videos).
☆ Discrete JEPA: Learning Discrete Token Representations without Reconstruction
The cornerstone of cognitive intelligence lies in extracting hidden patterns from observations and leveraging these principles to systematically predict future outcomes. However, current image tokenization methods demonstrate significant limitations in tasks requiring symbolic abstraction and logical reasoning capabilities essential for systematic inference. To address this challenge, we propose Discrete-JEPA, extending the latent predictive coding framework with semantic tokenization and novel complementary objectives to create robust tokenization for symbolic reasoning tasks. Discrete-JEPA dramatically outperforms baselines on visual symbolic prediction tasks, while striking visual evidence reveals the spontaneous emergence of deliberate systematic patterns within the learned semantic token space. Though an initial model, our approach promises a significant impact for advancing Symbolic world modeling and planning capabilities in artificial intelligence systems.
☆ DGG-XNet: A Hybrid Deep Learning Framework for Multi-Class Brain Disease Classification with Explainable AI
Accurate diagnosis of brain disorders such as Alzheimer's disease and brain tumors remains a critical challenge in medical imaging. Conventional methods based on manual MRI analysis are often inefficient and error-prone. To address this, we propose DGG-XNet, a hybrid deep learning model integrating VGG16 and DenseNet121 to enhance feature extraction and classification. DenseNet121 promotes feature reuse and efficient gradient flow through dense connectivity, while VGG16 contributes strong hierarchical spatial representations. Their fusion enables robust multiclass classification of neurological conditions. Grad-CAM is applied to visualize salient regions, enhancing model transparency. Trained on a combined dataset from BraTS 2021 and Kaggle, DGG-XNet achieved a test accuracy of 91.33\%, with precision, recall, and F1-score all exceeding 91\%. These results highlight DGG-XNet's potential as an effective and interpretable tool for computer-aided diagnosis (CAD) of neurodegenerative and oncological brain disorders.
☆ HydroChronos: Forecasting Decades of Surface Water Change
Forecasting surface water dynamics is crucial for water resource management and climate change adaptation. However, the field lacks comprehensive datasets and standardized benchmarks. In this paper, we introduce HydroChronos, a large-scale, multi-modal spatiotemporal dataset for surface water dynamics forecasting designed to address this gap. We couple the dataset with three forecasting tasks. The dataset includes over three decades of aligned Landsat 5 and Sentinel-2 imagery, climate data, and Digital Elevation Models for diverse lakes and rivers across Europe, North America, and South America. We also propose AquaClimaTempo UNet, a novel spatiotemporal architecture with a dedicated climate data branch, as a strong benchmark baseline. Our model significantly outperforms a Persistence baseline for forecasting future water dynamics by +14% and +11% F1 across change detection and direction of change classification tasks, and by +0.1 MAE on the magnitude of change regression. Finally, we conduct an Explainable AI analysis to identify the key climate variables and input channels that influence surface water change, providing insights to inform and guide future modeling efforts.
☆ EVA02-AT: Egocentric Video-Language Understanding with Spatial-Temporal Rotary Positional Embeddings and Symmetric Optimization
Egocentric video-language understanding demands both high efficiency and accurate spatial-temporal modeling. Existing approaches face three key challenges: 1) Excessive pre-training cost arising from multi-stage pre-training pipelines, 2) Ineffective spatial-temporal encoding due to manually split 3D rotary positional embeddings that hinder feature interactions, and 3) Imprecise learning objectives in soft-label multi-instance retrieval, which neglect negative pair correlations. In this paper, we introduce EVA02-AT, a suite of EVA02-based video-language foundation models tailored to egocentric video understanding tasks. EVA02-AT first efficiently transfers an image-based CLIP model into a unified video encoder via a single-stage pretraining. Second, instead of applying rotary positional embeddings to isolated dimensions, we introduce spatial-temporal rotary positional embeddings along with joint attention, which can effectively encode both spatial and temporal information on the entire hidden dimension. This joint encoding of spatial-temporal features enables the model to learn cross-axis relationships, which are crucial for accurately modeling motion and interaction in videos. Third, focusing on multi-instance video-language retrieval tasks, we introduce the Symmetric Multi-Similarity (SMS) loss and a novel training framework that advances all soft labels for both positive and negative pairs, providing a more precise learning objective. Extensive experiments on Ego4D, EPIC-Kitchens-100, and Charades-Ego under zero-shot and fine-tuning settings demonstrate that EVA02-AT achieves state-of-the-art performance across diverse egocentric video-language tasks with fewer parameters. Models with our SMS loss also show significant performance gains on multi-instance retrieval benchmarks. Our code and models are publicly available at https://github.com/xqwang14/EVA02-AT .
☆ FGA-NN: Film Grain Analysis Neural Network
Film grain, once a by-product of analog film, is now present in most cinematographic content for aesthetic reasons. However, when such content is compressed at medium to low bitrates, film grain is lost due to its random nature. To preserve artistic intent while compressing efficiently, film grain is analyzed and modeled before encoding and synthesized after decoding. This paper introduces FGA-NN, the first learning-based film grain analysis method to estimate conventional film grain parameters compatible with conventional synthesis. Quantitative and qualitative results demonstrate FGA-NN's superior balance between analysis accuracy and synthesis complexity, along with its robustness and applicability.
☆ FRIDU: Functional Map Refinement with Guided Image Diffusion
We propose a novel approach for refining a given correspondence map between two shapes. A correspondence map represented as a functional map, namely a change of basis matrix, can be additionally treated as a 2D image. With this perspective, we train an image diffusion model directly in the space of functional maps, enabling it to generate accurate maps conditioned on an inaccurate initial map. The training is done purely in the functional space, and thus is highly efficient. At inference time, we use the pointwise map corresponding to the current functional map as guidance during the diffusion process. The guidance can additionally encourage different functional map objectives, such as orthogonality and commutativity with the Laplace-Beltrami operator. We show that our approach is competitive with state-of-the-art methods of map refinement and that guided diffusion models provide a promising pathway to functional map processing.
comment: Accepted to SGP 2025 (Symposium on Geometry Processing)
☆ BRISC: Annotated Dataset for Brain Tumor Segmentation and Classification with Swin-HAFNet
Accurate segmentation and classification of brain tumors from Magnetic Resonance Imaging (MRI) remain key challenges in medical image analysis, largely due to the lack of high-quality, balanced, and diverse datasets. In this work, we present a new curated MRI dataset designed specifically for brain tumor segmentation and classification tasks. The dataset comprises 6,000 contrast-enhanced T1-weighted MRI scans annotated by certified radiologists and physicians, spanning three major tumor types-glioma, meningioma, and pituitary-as well as non-tumorous cases. Each sample includes high-resolution labels and is categorized across axial, sagittal, and coronal imaging planes to facilitate robust model development and cross-view generalization. To demonstrate the utility of the dataset, we propose a transformer-based segmentation model and benchmark it against established baselines. Our method achieves the highest weighted mean Intersection-over-Union (IoU) of 82.3%, with improvements observed across all tumor categories. Importantly, this study serves primarily as an introduction to the dataset, establishing foundational benchmarks for future research. We envision this dataset as a valuable resource for advancing machine learning applications in neuro-oncology, supporting both academic research and clinical decision-support development. datasetlink: https://www.kaggle.com/datasets/briscdataset/brisc2025/
☆ ImmerseGen: Agent-Guided Immersive World Generation with Alpha-Textured Proxies
Automatic creation of 3D scenes for immersive VR presence has been a significant research focus for decades. However, existing methods often rely on either high-poly mesh modeling with post-hoc simplification or massive 3D Gaussians, resulting in a complex pipeline or limited visual realism. In this paper, we demonstrate that such exhaustive modeling is unnecessary for achieving compelling immersive experience. We introduce ImmerseGen, a novel agent-guided framework for compact and photorealistic world modeling. ImmerseGen represents scenes as hierarchical compositions of lightweight geometric proxies, i.e., simplified terrain and billboard meshes, and generates photorealistic appearance by synthesizing RGBA textures onto these proxies. Specifically, we propose terrain-conditioned texturing for user-centric base world synthesis, and RGBA asset texturing for midground and foreground scenery.This reformulation offers several advantages: (i) it simplifies modeling by enabling agents to guide generative models in producing coherent textures that integrate seamlessly with the scene; (ii) it bypasses complex geometry creation and decimation by directly synthesizing photorealistic textures on proxies, preserving visual quality without degradation; (iii) it enables compact representations suitable for real-time rendering on mobile VR headsets. To automate scene creation from text prompts, we introduce VLM-based modeling agents enhanced with semantic grid-based analysis for improved spatial reasoning and accurate asset placement. ImmerseGen further enriches scenes with dynamic effects and ambient audio to support multisensory immersion. Experiments on scene generation and live VR showcases demonstrate that ImmerseGen achieves superior photorealism, spatial coherence and rendering efficiency compared to prior methods. Project webpage: https://immersegen.github.io.
comment: Project webpage: https://immersegen.github.io
☆ orGAN: A Synthetic Data Augmentation Pipeline for Simultaneous Generation of Surgical Images and Ground Truth Labels
Deep learning in medical imaging faces obstacles: limited data diversity, ethical issues, high acquisition costs, and the need for precise annotations. Bleeding detection and localization during surgery is especially challenging due to the scarcity of high-quality datasets that reflect real surgical scenarios. We propose orGAN, a GAN-based system for generating high-fidelity, annotated surgical images of bleeding. By leveraging small "mimicking organ" datasets, synthetic models that replicate tissue properties and bleeding, our approach reduces ethical concerns and data-collection costs. orGAN builds on StyleGAN with Relational Positional Learning to simulate bleeding events realistically and mark bleeding coordinates. A LaMa-based inpainting module then restores clean, pre-bleed visuals, enabling precise pixel-level annotations. In evaluations, a balanced dataset of orGAN and mimicking-organ images achieved 90% detection accuracy in surgical settings and up to 99% frame-level accuracy. While our development data lack diverse organ morphologies and contain intraoperative artifacts, orGAN markedly advances ethical, efficient, and cost-effective creation of realistic annotated bleeding datasets, supporting broader integration of AI in surgical practice.
comment: 24 pages, 7figures
☆ Leader360V: The Large-scale, Real-world 360 Video Dataset for Multi-task Learning in Diverse Environment
360 video captures the complete surrounding scenes with the ultra-large field of view of 360X180. This makes 360 scene understanding tasks, eg, segmentation and tracking, crucial for appications, such as autonomous driving, robotics. With the recent emergence of foundation models, the community is, however, impeded by the lack of large-scale, labelled real-world datasets. This is caused by the inherent spherical properties, eg, severe distortion in polar regions, and content discontinuities, rendering the annotation costly yet complex. This paper introduces Leader360V, the first large-scale, labeled real-world 360 video datasets for instance segmentation and tracking. Our datasets enjoy high scene diversity, ranging from indoor and urban settings to natural and dynamic outdoor scenes. To automate annotation, we design an automatic labeling pipeline, which subtly coordinates pre-trained 2D segmentors and large language models to facilitate the labeling. The pipeline operates in three novel stages. Specifically, in the Initial Annotation Phase, we introduce a Semantic- and Distortion-aware Refinement module, which combines object mask proposals from multiple 2D segmentors with LLM-verified semantic labels. These are then converted into mask prompts to guide SAM2 in generating distortion-aware masks for subsequent frames. In the Auto-Refine Annotation Phase, missing or incomplete regions are corrected either by applying the SDR again or resolving the discontinuities near the horizontal borders. The Manual Revision Phase finally incorporates LLMs and human annotators to further refine and validate the annotations. Extensive user studies and evaluations demonstrate the effectiveness of our labeling pipeline. Meanwhile, experiments confirm that Leader360V significantly enhances model performance for 360 video segmentation and tracking, paving the way for more scalable 360 scene understanding.
comment: 23 pages, 16 figures
☆ Exploring Non-contrastive Self-supervised Representation Learning for Image-based Profiling CVPR 2025
Image-based cell profiling aims to create informative representations of cell images. This technique is critical in drug discovery and has greatly advanced with recent improvements in computer vision. Inspired by recent developments in non-contrastive Self-Supervised Learning (SSL), this paper provides an initial exploration into training a generalizable feature extractor for cell images using such methods. However, there are two major challenges: 1) There is a large difference between the distributions of cell images and natural images, causing the view-generation process in existing SSL methods to fail; and 2) Unlike typical scenarios where each representation is based on a single image, cell profiling often involves multiple input images, making it difficult to effectively combine all available information. To overcome these challenges, we propose SSLProfiler, a non-contrastive SSL framework specifically designed for cell profiling. We introduce specialized data augmentation and representation post-processing methods tailored to cell images, which effectively address the issues mentioned above and result in a robust feature extractor. With these improvements, SSLProfiler won the Cell Line Transferability challenge at CVPR 2025.
comment: CVPR 2025 Computer Vision for Drug Discovery
☆ Comparison of Two Methods for Stationary Incident Detection Based on Background Image
In general, background subtraction-based methods are used to detect moving objects in visual tracking applications. In this paper, we employed a background subtraction-based scheme to detect the temporarily stationary objects. We proposed two schemes for stationary object detection, and we compare those in terms of detection performance and computational complexity. In the first approach, we used a single background, and in the second approach, we used dual backgrounds, generated with different learning rates, in order to detect temporarily stopped objects. Finally, we used normalized cross correlation (NCC) based image comparison to monitor and track the detected stationary object in a video scene. The proposed method is robust with partial occlusion, short-time fully occlusion, and illumination changes, and it can operate in real time.
comment: 8 pages, 6 figures
☆ synth-dacl: Does Synthetic Defect Data Enhance Segmentation Accuracy and Robustness for Real-World Bridge Inspections?
Adequate bridge inspection is increasingly challenging in many countries due to growing ailing stocks, compounded with a lack of staff and financial resources. Automating the key task of visual bridge inspection, classification of defects and building components on pixel level, improves efficiency, increases accuracy and enhances safety in the inspection process and resulting building assessment. Models overtaking this task must cope with an assortment of real-world conditions. They must be robust to variations in image quality, as well as background texture, as defects often appear on surfaces of diverse texture and degree of weathering. dacl10k is the largest and most diverse dataset for real-world concrete bridge inspections. However, the dataset exhibits class imbalance, which leads to notably poor model performance particularly when segmenting fine-grained classes such as cracks and cavities. This work introduces "synth-dacl", a compilation of three novel dataset extensions based on synthetic concrete textures. These extensions are designed to balance class distribution in dacl10k and enhance model performance, especially for crack and cavity segmentation. When incorporating the synth-dacl extensions, we observe substantial improvements in model robustness across 15 perturbed test sets. Notably, on the perturbed test set, a model trained on dacl10k combined with all synthetic extensions achieves a 2% increase in mean IoU, F1 score, Recall, and Precision compared to the same model trained solely on dacl10k.
☆ Cross-Modal Geometric Hierarchy Fusion: An Implicit-Submap Driven Framework for Resilient 3D Place Recognition
LiDAR-based place recognition serves as a crucial enabler for long-term autonomy in robotics and autonomous driving systems. Yet, prevailing methodologies relying on handcrafted feature extraction face dual challenges: (1) Inconsistent point cloud density, induced by ego-motion dynamics and environmental disturbances during repeated traversals, leads to descriptor instability, and (2) Representation fragility stems from reliance on single-level geometric abstractions that lack discriminative power in structurally complex scenarios. To address these limitations, we propose a novel framework that redefines 3D place recognition through density-agnostic geometric reasoning. Specifically, we introduce an implicit 3D representation based on elastic points, which is immune to the interference of original scene point cloud density and achieves the characteristic of uniform distribution. Subsequently, we derive the occupancy grid and normal vector information of the scene from this implicit representation. Finally, with the aid of these two types of information, we obtain descriptors that fuse geometric information from both bird's-eye view (capturing macro-level spatial layouts) and 3D segment (encoding micro-scale surface geometries) perspectives. We conducted extensive experiments on numerous datasets (KITTI, KITTI-360, MulRan, NCLT) across diverse environments. The experimental results demonstrate that our method achieves state-of-the-art performance. Moreover, our approach strikes an optimal balance between accuracy, runtime, and memory optimization for historical maps, showcasing excellent Resilient and scalability. Our code will be open-sourced in the future.
☆ Unified Representation Space for 3D Visual Grounding
3D visual grounding (3DVG) is a critical task in scene understanding that aims to identify objects in 3D scenes based on text descriptions. However, existing methods rely on separately pre-trained vision and text encoders, resulting in a significant gap between the two modalities in terms of spatial geometry and semantic categories. This discrepancy often causes errors in object positioning and classification. The paper proposes UniSpace-3D, which innovatively introduces a unified representation space for 3DVG, effectively bridging the gap between visual and textual features. Specifically, UniSpace-3D incorporates three innovative designs: i) a unified representation encoder that leverages the pre-trained CLIP model to map visual and textual features into a unified representation space, effectively bridging the gap between the two modalities; ii) a multi-modal contrastive learning module that further reduces the modality gap; iii) a language-guided query selection module that utilizes the positional and semantic information to identify object candidate points aligned with textual descriptions. Extensive experiments demonstrate that UniSpace-3D outperforms baseline models by at least 2.24% on the ScanRefer and Nr3D/Sr3D datasets. The code will be made available upon acceptance of the paper.
☆ HRGS: Hierarchical Gaussian Splatting for Memory-Efficient High-Resolution 3D Reconstruction
3D Gaussian Splatting (3DGS) has made significant strides in real-time 3D scene reconstruction, but faces memory scalability issues in high-resolution scenarios. To address this, we propose Hierarchical Gaussian Splatting (HRGS), a memory-efficient framework with hierarchical block-level optimization. First, we generate a global, coarse Gaussian representation from low-resolution data. Then, we partition the scene into multiple blocks, refining each block with high-resolution data. The partitioning involves two steps: Gaussian partitioning, where irregular scenes are normalized into a bounded cubic space with a uniform grid for task distribution, and training data partitioning, where only relevant observations are retained for each block. By guiding block refinement with the coarse Gaussian prior, we ensure seamless Gaussian fusion across adjacent blocks. To reduce computational demands, we introduce Importance-Driven Gaussian Pruning (IDGP), which computes importance scores for each Gaussian and removes those with minimal contribution, speeding up convergence and reducing memory usage. Additionally, we incorporate normal priors from a pretrained model to enhance surface reconstruction quality. Our method enables high-quality, high-resolution 3D scene reconstruction even under memory constraints. Extensive experiments on three benchmarks show that HRGS achieves state-of-the-art performance in high-resolution novel view synthesis (NVS) and surface reconstruction tasks.
♻ ☆ Language and Planning in Robotic Navigation: A Multilingual Evaluation of State-of-the-Art Models AAAI'25
Large Language Models (LLMs) such as GPT-4, trained on huge amount of datasets spanning multiple domains, exhibit significant reasoning, understanding, and planning capabilities across various tasks. This study presents the first-ever work in Arabic language integration within the Vision-and-Language Navigation (VLN) domain in robotics, an area that has been notably underexplored in existing research. We perform a comprehensive evaluation of state-of-the-art multi-lingual Small Language Models (SLMs), including GPT-4o mini, Llama 3 8B, and Phi-3 medium 14B, alongside the Arabic-centric LLM, Jais. Our approach utilizes the NavGPT framework, a pure LLM-based instruction-following navigation agent, to assess the impact of language on navigation reasoning through zero-shot sequential action prediction using the R2R dataset. Through comprehensive experiments, we demonstrate that our framework is capable of high-level planning for navigation tasks when provided with instructions in both English and Arabic. However, certain models struggled with reasoning and planning in the Arabic language due to inherent limitations in their capabilities, sub-optimal performance, and parsing issues. These findings highlight the importance of enhancing planning and reasoning capabilities in language models for effective navigation, emphasizing this as a key area for further development while also unlocking the potential of Arabic-language models for impactful real-world applications.
comment: This work has been accepted for presentation at LM4Plan@AAAI'25. For more details, please check: https://llmforplanning.github.io/
♻ ☆ ProbRadarM3F: mmWave Radar based Human Skeletal Pose Estimation with Probability Map Guided Multi-Format Feature Fusion
Millimeter wave (mmWave) radar is a non-intrusive privacy and relatively convenient and inexpensive device, which has been demonstrated to be applicable in place of RGB cameras in human indoor pose estimation tasks. However, mmWave radar relies on the collection of reflected signals from the target, and the radar signals containing information is difficult to be fully applied. This has been a long-standing hindrance to the improvement of pose estimation accuracy. To address this major challenge, this paper introduces a probability map guided multi-format feature fusion model, ProbRadarM3F. This is a novel radar feature extraction framework using a traditional FFT method in parallel with a probability map based positional encoding method. ProbRadarM3F fuses the traditional heatmap features and the positional features, then effectively achieves the estimation of 14 keypoints of the human body. Experimental evaluation on the HuPR dataset proves the effectiveness of the model proposed in this paper, outperforming other methods experimented on this dataset with an AP of 69.9 %. The emphasis of our study is focusing on the position information that is not exploited before in radar singal. This provides direction to investigate other potential non-redundant information from mmWave rader.
♻ ☆ FigCaps-HF: A Figure-to-Caption Generative Framework and Benchmark with Human Feedback
Captions are crucial for understanding scientific visualizations and documents. Existing captioning methods for scientific figures rely on figure-caption pairs extracted from documents for training, many of which fall short with respect to metrics like helpfulness, explainability, and visual-descriptiveness [15] leading to generated captions being misaligned with reader preferences. To enable the generation of high-quality figure captions, we introduce FigCaps-HF a new framework for figure-caption generation that can incorporate domain expert feedback in generating captions optimized for reader preferences. Our framework comprises of 1) an automatic method for evaluating quality of figure-caption pairs, 2) a novel reinforcement learning with human feedback (RLHF) method to optimize a generative figure-to-caption model for reader preferences. We demonstrate the effectiveness of our simple learning framework by improving performance over standard fine-tuning across different types of models. In particular, when using BLIP as the base model, our RLHF framework achieves a mean gain of 35.7%, 16.9%, and 9% in ROUGE, BLEU, and Meteor, respectively. Finally, we release a large-scale benchmark dataset with human feedback on figure-caption pairs to enable further evaluation and development of RLHF techniques for this problem.
comment: 16 pages, 4 figures. Benchmark Documentation: https://figcapshf.github.io/
♻ ☆ ONEBench to Test Them All: Sample-Level Benchmarking Over Open-Ended Capabilities
Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.
♻ ☆ Diverse Topology Optimization using Modulated Neural Fields
Topology optimization (TO) is a family of computational methods that derive near-optimal geometries from formal problem descriptions. Despite their success, established TO methods are limited to generating single solutions, restricting the exploration of alternative designs. To address this limitation, we introduce Topology Optimization using Modulated Neural Fields (TOM) - a data-free method that trains a neural network to generate structurally compliant shapes and explores diverse solutions through an explicit diversity constraint. The network is trained with a solver-in-the-loop, optimizing the material distribution in each iteration. The trained model produces diverse shapes that closely adhere to the design requirements. We validate TOM on 2D and 3D TO problems. Our results show that TOM generates more diverse solutions than any previous method, all while maintaining near-optimality and without relying on a dataset. These findings open new avenues for engineering and design, offering enhanced flexibility and innovation in structural optimization.
comment: 22 pages, 14 figures
♻ ☆ Infinity: Scaling Bitwise AutoRegressive Modeling for High-Resolution Image Synthesis
We present Infinity, a Bitwise Visual AutoRegressive Modeling capable of generating high-resolution, photorealistic images following language instruction. Infinity redefines visual autoregressive model under a bitwise token prediction framework with an infinite-vocabulary tokenizer & classifier and bitwise self-correction mechanism, remarkably improving the generation capacity and details. By theoretically scaling the tokenizer vocabulary size to infinity and concurrently scaling the transformer size, our method significantly unleashes powerful scaling capabilities compared to vanilla VAR. Infinity sets a new record for autoregressive text-to-image models, outperforming top-tier diffusion models like SD3-Medium and SDXL. Notably, Infinity surpasses SD3-Medium by improving the GenEval benchmark score from 0.62 to 0.73 and the ImageReward benchmark score from 0.87 to 0.96, achieving a win rate of 66%. Without extra optimization, Infinity generates a high-quality 1024x1024 image in 0.8 seconds, making it 2.6x faster than SD3-Medium and establishing it as the fastest text-to-image model. Models and codes will be released to promote further exploration of Infinity for visual generation and unified tokenizer modeling.
comment: 17 pages, 14 figures
♻ ☆ Navigating the Digital World as Humans Do: Universal Visual Grounding for GUI Agents ICLR 2025
Multimodal large language models (MLLMs) are transforming the capabilities of graphical user interface (GUI) agents, facilitating their transition from controlled simulations to complex, real-world applications across various platforms. However, the effectiveness of these agents hinges on the robustness of their grounding capability. Current GUI agents predominantly utilize text-based representations such as HTML or accessibility trees, which, despite their utility, often introduce noise, incompleteness, and increased computational overhead. In this paper, we advocate a human-like embodiment for GUI agents that perceive the environment entirely visually and directly perform pixel-level operations on the GUI. The key is visual grounding models that can accurately map diverse referring expressions of GUI elements to their coordinates on the GUI across different platforms. We show that a simple recipe, which includes web-based synthetic data and slight adaptation of the LLaVA architecture, is surprisingly effective for training such visual grounding models. We collect the largest dataset for GUI visual grounding so far, containing 10M GUI elements and their referring expressions over 1.3M screenshots, and use it to train UGround, a strong universal visual grounding model for GUI agents. Empirical results on six benchmarks spanning three categories (grounding, offline agent, and online agent) show that 1) UGround substantially outperforms existing visual grounding models for GUI agents, by up to 20% absolute, and 2) agents with UGround outperform state-of-the-art agents, despite the fact that existing agents use additional text-based input while ours only uses visual perception. These results provide strong support for the feasibility and promises of GUI agents that navigate the digital world as humans do.
comment: Accepted to ICLR 2025 (Oral). Project Homepage: https://osu-nlp-group.github.io/UGround/
♻ ☆ Mouse Lockbox Dataset: Behavior Recognition for Mice Solving Lockboxes CVPR
Machine learning and computer vision methods have a major impact on the study of natural animal behavior, as they enable the (semi-)automatic analysis of vast amounts of video data. Mice are the standard mammalian model system in most research fields, but the datasets available today to refine such methods focus either on simple or social behaviors. In this work, we present a video dataset of individual mice solving complex mechanical puzzles, so-called lockboxes. The more than 110 hours of total playtime show their behavior recorded from three different perspectives. As a benchmark for frame-level action classification methods, we provide human-annotated labels for all videos of two different mice, that equal 13% of our dataset. Our keypoint (pose) tracking-based action classification framework illustrates the challenges of automated labeling of fine-grained behaviors, such as the manipulation of objects. We hope that our work will help accelerate the advancement of automated action and behavior classification in the computational neuroscience community. Our dataset is publicly available at https://doi.org/10.14279/depositonce-23850
comment: Accepted and published (poster) at the CV4Animals: Computer Vision for Animal Behavior Tracking and Modeling workshop, in conjunction with Computer Vision and Pattern Recognition (CVPR) 2025
♻ ☆ Strategic Client Selection to Address Non-IIDness in HAPS-enabled FL Networks
The deployment of federated learning (FL) in non-terrestrial networks (NTN) that are supported by high-altitude platform stations (HAPS) offers numerous advantages. Due to its large footprint, it facilitates interaction with a large number of line-of-sight (LoS) ground clients, each possessing diverse datasets along with distinct communication and computational capabilities. The presence of many clients enhances the accuracy of the FL model and speeds up convergence. However, the variety of datasets among these clients poses a significant challenge, as it leads to pervasive non-independent and identically distributed (non-IID) data. The data non-IIDness results in markedly reduced training accuracy and slower convergence rates. To address this issue, we propose a novel weighted attribute-based client selection strategy that leverages multiple user-specific attributes, including historical traffic patterns, instantaneous channel conditions, computational capabilities, and previous-round learning performance. By combining these attributes into a composite score for each user at every FL round and selecting users with higher scores as FL clients, the framework ensures more uniform and representative data distributions, effectively mitigating the adverse effects of non-IID data. Simulation results corroborate the effectiveness of the proposed client selection strategy in enhancing FL model accuracy and convergence rate, as well as reducing training loss, by effectively addressing the critical challenge of data non-IIDness in large-scale FL system implementations.
comment: Submitted to IEEE for possible publication
♻ ☆ ClearDepth: Enhanced Stereo Perception of Transparent Objects for Robotic Manipulation
Transparent object depth perception poses a challenge in everyday life and logistics, primarily due to the inability of standard 3D sensors to accurately capture depth on transparent or reflective surfaces. This limitation significantly affects depth map and point cloud-reliant applications, especially in robotic manipulation. We developed a vision transformer-based algorithm for stereo depth recovery of transparent objects. This approach is complemented by an innovative feature post-fusion module, which enhances the accuracy of depth recovery by structural features in images. To address the high costs associated with dataset collection for stereo camera-based perception of transparent objects, our method incorporates a parameter-aligned, domain-adaptive, and physically realistic Sim2Real simulation for efficient data generation, accelerated by AI algorithm. Our experimental results demonstrate the model's exceptional Sim2Real generalizability in real-world scenarios, enabling precise depth mapping of transparent objects to assist in robotic manipulation. Project details are available at https://sites.google.com/view/cleardepth/ .
comment: 7 pages, 7 figures
♻ ☆ HKD4VLM: A Progressive Hybrid Knowledge Distillation Framework for Robust Multimodal Hallucination and Factuality Detection in VLMs
Driven by the rapid progress in vision-language models (VLMs), the responsible behavior of large-scale multimodal models has become a prominent research area, particularly focusing on hallucination detection and factuality checking. In this paper, we present the solution for the two tracks of Responsible AI challenge. Inspirations from the general domain demonstrate that a smaller distilled VLM can often outperform a larger VLM that is directly tuned on downstream tasks, while achieving higher efficiency. We thus jointly tackle two tasks from the perspective of knowledge distillation and propose a progressive hybrid knowledge distillation framework termed HKD4VLM. Specifically, the overall framework can be decomposed into Pyramid-like Progressive Online Distillation and Ternary-Coupled Refinement Distillation, hierarchically moving from coarse-grained knowledge alignment to fine-grained refinement. Besides, we further introduce the mapping shift-enhanced inference and diverse augmentation strategies to enhance model performance and robustness. Extensive experimental results demonstrate the effectiveness of our HKD4VLM. Ablation studies provide insights into the critical design choices driving performance gains.
♻ ☆ Inherently Faithful Attention Maps for Vision Transformers
We introduce an attention-based method that uses learned binary attention masks to ensure that only attended image regions influence the prediction. Context can strongly affect object perception, sometimes leading to biased representations, particularly when objects appear in out-of-distribution backgrounds. At the same time, many image-level object-centric tasks require identifying relevant regions, often requiring context. To address this conundrum, we propose a two-stage framework: stage 1 processes the full image to discover object parts and identify task-relevant regions, while stage 2 leverages input attention masking to restrict its receptive field to these regions, enabling a focused analysis while filtering out potentially spurious information. Both stages are trained jointly, allowing stage 2 to refine stage 1. Extensive experiments across diverse benchmarks demonstrate that our approach significantly improves robustness against spurious correlations and out-of-distribution backgrounds. Code: https://github.com/ananthu-aniraj/ifam
♻ ☆ PunchBench: Benchmarking MLLMs in Multimodal Punchline Comprehension ACL 2025
Multimodal punchlines, which involve humor or sarcasm conveyed in image-caption pairs, are a popular way of communication on online multimedia platforms. With the rapid development of multimodal large language models (MLLMs), it is essential to assess their ability to effectively comprehend these punchlines. However, existing benchmarks on punchline comprehension suffer from three major limitations: 1) language shortcuts that allow models to solely rely on text, 2) lack of question diversity, and 3) narrow focus on a specific domain of multimodal content (e.g., cartoon). To address these limitations, we introduce a multimodal \textbf{Punch}line comprehension \textbf{Bench}mark, named \textbf{PunchBench}, which is tailored for accurate and comprehensive evaluation of punchline comprehension. To enhance the evaluation accuracy, we generate synonymous and antonymous captions by modifying original captions, which mitigates the impact of shortcuts in the captions. To provide a comprehensive evaluation, PunchBench incorporates diverse question formats and image-captions from various domains. On this basis, we conduct extensive evaluations and reveal a significant gap between state-of-the-art MLLMs and humans in punchline comprehension. To improve punchline comprehension, we propose Simple-to-Complex Chain-of-Question (SC-CoQ) strategy, enabling the models to incrementally address complicated questions by first mastering simple ones. SC-CoQ effectively enhances the performance of various MLLMs on PunchBench, surpassing in-context learning and chain-of-thought.
comment: This is the camera-ready version for ACL 2025
♻ ☆ Concept Guided Co-salient Object Detection
Co-salient object detection (Co-SOD) aims to identify common salient objects across a group of related images. While recent methods have made notable progress, they typically rely on low-level visual patterns and lack semantic priors, limiting their detection performance. We propose ConceptCoSOD, a concept-guided framework that introduces high-level semantic knowledge to enhance co-saliency detection. By extracting shared text-based concepts from the input image group, ConceptCoSOD provides semantic guidance that anchors the detection process. To further improve concept quality, we analyze the effect of diffusion timesteps and design a resampling strategy that selects more informative steps for learning robust concepts. This semantic prior, combined with the resampling-enhanced representation, enables accurate and consistent segmentation even in challenging visual conditions. Extensive experiments on three benchmark datasets and five corrupted settings demonstrate that ConceptCoSOD significantly outperforms existing methods in both accuracy and generalization.
♻ ☆ FlowAlign: Trajectory-Regularized, Inversion-Free Flow-based Image Editing
Recent inversion-free, flow-based image editing methods such as FlowEdit leverages a pre-trained noise-to-image flow model such as Stable Diffusion 3, enabling text-driven manipulation by solving an ordinary differential equation (ODE). While the lack of exact latent inversion is a core advantage of these methods, it often results in unstable editing trajectories and poor source consistency. To address this limitation, we propose FlowAlign, a novel inversion-free flow-based framework for consistent image editing with principled trajectory control. FlowAlign introduces a flow-matching loss as a regularization mechanism to promote smoother and more stable trajectories during the editing process. Notably, the flow-matching loss is shown to explicitly balance semantic alignment with the edit prompt and structural consistency with the source image along the trajectory. Furthermore, FlowAlign naturally supports reverse editing by simply reversing the ODE trajectory, highlighting the reversible and consistent nature of the transformation. Extensive experiments demonstrate that FlowAlign outperforms existing methods in both source preservation and editing controllability.
♻ ☆ DexHandDiff: Interaction-aware Diffusion Planning for Adaptive Dexterous Manipulation CVPR 2025
Dexterous manipulation with contact-rich interactions is crucial for advanced robotics. While recent diffusion-based planning approaches show promise for simple manipulation tasks, they often produce unrealistic ghost states (e.g., the object automatically moves without hand contact) or lack adaptability when handling complex sequential interactions. In this work, we introduce DexHandDiff, an interaction-aware diffusion planning framework for adaptive dexterous manipulation. DexHandDiff models joint state-action dynamics through a dual-phase diffusion process which consists of pre-interaction contact alignment and post-contact goal-directed control, enabling goal-adaptive generalizable dexterous manipulation. Additionally, we incorporate dynamics model-based dual guidance and leverage large language models for automated guidance function generation, enhancing generalizability for physical interactions and facilitating diverse goal adaptation through language cues. Experiments on physical interaction tasks such as door opening, pen and block re-orientation, object relocation, and hammer striking demonstrate DexHandDiff's effectiveness on goals outside training distributions, achieving over twice the average success rate (59.2% vs. 29.5%) compared to existing methods. Our framework achieves an average of 70.7% success rate on goal adaptive dexterous tasks, highlighting its robustness and flexibility in contact-rich manipulation.
comment: Accepted by CVPR 2025. Camera ready version. Previous DexDiffuser. Project page: https://dexdiffuser.github.io/
♻ ☆ InkSight: Offline-to-Online Handwriting Conversion by Teaching Vision-Language Models to Read and Write
Digital note-taking is gaining popularity, offering a durable, editable, and easily indexable way of storing notes in a vectorized form, known as digital ink. However, a substantial gap remains between this way of note-taking and traditional pen-and-paper note-taking, a practice that is still favored by a vast majority. Our work InkSight, aims to bridge the gap by empowering physical note-takers to effortlessly convert their work (offline handwriting) to digital ink (online handwriting), a process we refer to as derendering. Prior research on the topic has focused on the geometric properties of images, resulting in limited generalization beyond their training domains. Our approach combines reading and writing priors, allowing training a model in the absence of large amounts of paired samples, which are difficult to obtain. To our knowledge, this is the first work that effectively derenders handwritten text in arbitrary photos with diverse visual characteristics and backgrounds. Furthermore, it generalizes beyond its training domain into simple sketches. Our human evaluation reveals that 87% of the samples produced by our model on the challenging HierText dataset are considered as a valid tracing of the input image and 67% look like a pen trajectory traced by a human.
comment: Accepted by Transactions on Machine Learning Research
♻ ☆ A Survey on Personalized Content Synthesis with Diffusion Models
Recent advancements in diffusion models have significantly impacted content creation, leading to the emergence of Personalized Content Synthesis (PCS). By utilizing a small set of user-provided examples featuring the same subject, PCS aims to tailor this subject to specific user-defined prompts. Over the past two years, more than 150 methods have been introduced in this area. However, existing surveys primarily focus on text-to-image generation, with few providing up-to-date summaries on PCS. This paper provides a comprehensive survey of PCS, introducing the general frameworks of PCS research, which can be categorized into test-time fine-tuning (TTF) and pre-trained adaptation (PTA) approaches. We analyze the strengths, limitations, and key techniques of these methodologies. Additionally, we explore specialized tasks within the field, such as object, face, and style personalization, while highlighting their unique challenges and innovations. Despite the promising progress, we also discuss ongoing challenges, including overfitting and the trade-off between subject fidelity and text alignment. Through this detailed overview and analysis, we propose future directions to further the development of PCS.
♻ ☆ Knowledge Bridger: Towards Training-free Missing Modality Completion CVPR 2025
Previous successful approaches to missing modality completion rely on carefully designed fusion techniques and extensive pre-training on complete data, which can limit their generalizability in out-of-domain (OOD) scenarios. In this study, we pose a new challenge: can we develop a missing modality completion model that is both resource-efficient and robust to OOD generalization? To address this, we present a training-free framework for missing modality completion that leverages large multimodal models (LMMs). Our approach, termed the "Knowledge Bridger", is modality-agnostic and integrates generation and ranking of missing modalities. By defining domain-specific priors, our method automatically extracts structured information from available modalities to construct knowledge graphs. These extracted graphs connect the missing modality generation and ranking modules through the LMM, resulting in high-quality imputations of missing modalities. Experimental results across both general and medical domains show that our approach consistently outperforms competing methods, including in OOD generalization. Additionally, our knowledge-driven generation and ranking techniques demonstrate superiority over variants that directly employ LMMs for generation and ranking, offering insights that may be valuable for applications in other domains.
comment: Accepted to CVPR 2025
♻ ☆ Learning Invariant Causal Mechanism from Vision-Language Models ICML 2025
Contrastive Language-Image Pretraining (CLIP) has achieved remarkable success, but its performance can degrade when fine-tuned in out-of-distribution (OOD) scenarios. We model the prediction process using a Structural Causal Model (SCM) and show that the causal mechanism involving both invariant and variant factors in training environments differs from that in test environments. In contrast, the causal mechanism with solely invariant factors remains consistent across environments. We theoretically prove the existence of a linear mapping from CLIP embeddings to invariant factors, which can be estimated using interventional data. Additionally, we provide a condition to guarantee low OOD risk of the invariant predictor. Based on these insights, we propose the Invariant Causal Mechanism of CLIP (CLIP-ICM) framework. CLIP-ICM involves collecting interventional data, estimating a linear projection matrix, and making predictions within the invariant subspace. Experiments on several OOD datasets show that CLIP-ICM significantly improves the performance of CLIP. Our method offers a simple but powerful enhancement, boosting the reliability of CLIP in real-world applications.
comment: Accepted to ICML 2025
♻ ☆ MSVIT: Improving Spiking Vision Transformer Using Multi-scale Attention Fusion IJCAI'25
The combination of Spiking Neural Networks (SNNs) with Vision Transformer architectures has garnered significant attention due to their potential for energy-efficient and high-performance computing paradigms. However, a substantial performance gap still exists between SNN-based and ANN-based transformer architectures. While existing methods propose spiking self-attention mechanisms that are successfully combined with SNNs, the overall architectures proposed by these methods suffer from a bottleneck in effectively extracting features from different image scales. In this paper, we address this issue and propose MSVIT. This novel spike-driven Transformer architecture firstly uses multi-scale spiking attention (MSSA) to enhance the capabilities of spiking attention blocks. We validate our approach across various main datasets. The experimental results show that MSVIT outperforms existing SNN-based models, positioning itself as a state-of-the-art solution among SNN-transformer architectures. The codes are available at https://github.com/Nanhu-AI-Lab/MSViT.
comment: 11pages, 2figures, accepted by IJCAI'25 (34th International Joint Conference on Artificial Intelligence)
♻ ☆ GraphAU-Pain: Graph-based Action Unit Representation for Pain Intensity Estimation IJCAI25
Understanding pain-related facial behaviors is essential for digital healthcare in terms of effective monitoring, assisted diagnostics, and treatment planning, particularly for patients unable to communicate verbally. Existing data-driven methods of detecting pain from facial expressions are limited due to interpretability and severity quantification. To this end, we propose GraphAU-Pain, leveraging a graph-based framework to model facial Action Units (AUs) and their interrelationships for pain intensity estimation. AUs are represented as graph nodes, with co-occurrence relationships as edges, enabling a more expressive depiction of pain-related facial behaviors. By utilizing a relational graph neural network, our framework offers improved interpretability and significant performance gains. Experiments conducted on the publicly available UNBC dataset demonstrate the effectiveness of the GraphAU-Pain, achieving an F1-score of 66.21% and accuracy of 87.61% in pain intensity estimation.
comment: MiGA@IJCAI25
♻ ☆ SeqPE: Transformer with Sequential Position Encoding
Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each $n$-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.
♻ ☆ BiggerGait: Unlocking Gait Recognition with Layer-wise Representations from Large Vision Models
Large vision models (LVM) based gait recognition has achieved impressive performance. However, existing LVM-based approaches may overemphasize gait priors while neglecting the intrinsic value of LVM itself, particularly the rich, distinct representations across its multi-layers. To adequately unlock LVM's potential, this work investigates the impact of layer-wise representations on downstream recognition tasks. Our analysis reveals that LVM's intermediate layers offer complementary properties across tasks, integrating them yields an impressive improvement even without rich well-designed gait priors. Building on this insight, we propose a simple and universal baseline for LVM-based gait recognition, termed BiggerGait. Comprehensive evaluations on CCPG, CAISA-B*, SUSTech1K, and CCGR\_MINI validate the superiority of BiggerGait across both within- and cross-domain tasks, establishing it as a simple yet practical baseline for gait representation learning. All the models and code will be publicly available.
♻ ☆ Hardware-Rasterized Ray-Based Gaussian Splatting
We present a novel, hardware rasterized rendering approach for ray-based 3D Gaussian Splatting (RayGS), obtaining both fast and high-quality results for novel view synthesis. Our work contains a mathematically rigorous and geometrically intuitive derivation about how to efficiently estimate all relevant quantities for rendering RayGS models, structured with respect to standard hardware rasterization shaders. Our solution is the first enabling rendering RayGS models at sufficiently high frame rates to support quality-sensitive applications like Virtual and Mixed Reality. Our second contribution enables alias-free rendering for RayGS, by addressing MIP-related issues arising when rendering diverging scales during training and testing. We demonstrate significant performance gains, across different benchmark scenes, while retaining state-of-the-art appearance quality of RayGS.
♻ ☆ BS-LDM: Effective Bone Suppression in High-Resolution Chest X-Ray Images with Conditional Latent Diffusion Models
Lung diseases represent a significant global health challenge, with Chest X-Ray (CXR) being a key diagnostic tool due to its accessibility and affordability. Nonetheless, the detection of pulmonary lesions is often hindered by overlapping bone structures in CXR images, leading to potential misdiagnoses. To address this issue, we develop an end-to-end framework called BS-LDM, designed to effectively suppress bone in high-resolution CXR images. This framework is based on conditional latent diffusion models and incorporates a multi-level hybrid loss-constrained vector-quantized generative adversarial network which is crafted for perceptual compression, ensuring the preservation of details. To further enhance the framework's performance, we utilize offset noise in the forward process, and a temporal adaptive thresholding strategy in the reverse process. These additions help minimize discrepancies in generating low-frequency information of soft tissue images. Additionally, we have compiled a high-quality bone suppression dataset named SZCH-X-Rays. This dataset includes 818 pairs of high-resolution CXR and soft tissue images collected from our partner hospital. Moreover, we processed 241 data pairs from the JSRT dataset into negative images, which are more commonly used in clinical practice. Our comprehensive experiments and downstream evaluations reveal that BS-LDM excels in bone suppression, underscoring its clinical value. Our code is available at https://github.com/diaoquesang/BS-LDM.
comment: 12 pages, 8 figures
♻ ☆ MSDNet: Multi-Scale Decoder for Few-Shot Semantic Segmentation via Transformer-Guided Prototyping
Few-shot Semantic Segmentation addresses the challenge of segmenting objects in query images with only a handful of annotated examples. However, many previous state-of-the-art methods either have to discard intricate local semantic features or suffer from high computational complexity. To address these challenges, we propose a new Few-shot Semantic Segmentation framework based on the Transformer architecture. Our approach introduces the spatial transformer decoder and the contextual mask generation module to improve the relational understanding between support and query images. Moreover, we introduce a multi scale decoder to refine the segmentation mask by incorporating features from different resolutions in a hierarchical manner. Additionally, our approach integrates global features from intermediate encoder stages to improve contextual understanding, while maintaining a lightweight structure to reduce complexity. This balance between performance and efficiency enables our method to achieve competitive results on benchmark datasets such as PASCAL-5^i and COCO-20^i in both 1-shot and 5-shot settings. Notably, our model with only 1.5 million parameters demonstrates competitive performance while overcoming limitations of existing methodologies. https://github.com/amirrezafateh/MSDNet
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data will be available later (under review). Keywords: reinforcement learning with verifiable rewards (RLVR), instruction following, complex instructions
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ Learning Spatially Adaptive $\ell_1$-Norms Weights for Convolutional Synthesis Regularization
We propose an unrolled algorithm approach for learning spatially adaptive parameter maps in the framework of convolutional synthesis-based $\ell_1$ regularization. More precisely, we consider a family of pre-trained convolutional filters and estimate deeply parametrized spatially varying parameters applied to the sparse feature maps by means of unrolling a FISTA algorithm to solve the underlying sparse estimation problem. The proposed approach is evaluated for image reconstruction of low-field MRI and compared to spatially adaptive and non-adaptive analysis-type procedures relying on Total Variation regularization and to a well-established model-based deep learning approach. We show that the proposed approach produces visually and quantitatively comparable results with the latter approaches and at the same time remains highly interpretable. In particular, the inferred parameter maps quantify the local contribution of each filter in the reconstruction, which provides valuable insight into the algorithm mechanism and could potentially be used to discard unsuited filters.
comment: Accepted for publication in the proceedings of the EUSIPCO 2025 conference
♻ ☆ H$^3$DP: Triply-Hierarchical Diffusion Policy for Visuomotor Learning
Visuomotor policy learning has witnessed substantial progress in robotic manipulation, with recent approaches predominantly relying on generative models to model the action distribution. However, these methods often overlook the critical coupling between visual perception and action prediction. In this work, we introduce $\textbf{Triply-Hierarchical Diffusion Policy}~(\textbf{H$^{\mathbf{3}}$DP})$, a novel visuomotor learning framework that explicitly incorporates hierarchical structures to strengthen the integration between visual features and action generation. H$^{3}$DP contains $\mathbf{3}$ levels of hierarchy: (1) depth-aware input layering that organizes RGB-D observations based on depth information; (2) multi-scale visual representations that encode semantic features at varying levels of granularity; and (3) a hierarchically conditioned diffusion process that aligns the generation of coarse-to-fine actions with corresponding visual features. Extensive experiments demonstrate that H$^{3}$DP yields a $\mathbf{+27.5\%}$ average relative improvement over baselines across $\mathbf{44}$ simulation tasks and achieves superior performance in $\mathbf{4}$ challenging bimanual real-world manipulation tasks. Project Page: https://lyy-iiis.github.io/h3dp/.
♻ ☆ Patho-R1: A Multimodal Reinforcement Learning-Based Pathology Expert Reasoner
Recent advances in vision language models (VLMs) have enabled broad progress in the general medical field. However, pathology still remains a more challenging subdomain, with current pathology specific VLMs exhibiting limitations in both diagnostic accuracy and reasoning plausibility. Such shortcomings are largely attributable to the nature of current pathology datasets, which are primarily composed of image description pairs that lack the depth and structured diagnostic paradigms employed by real world pathologists. In this study, we leverage pathology textbooks and real world pathology experts to construct high-quality, reasoning-oriented datasets. Building on this, we introduce Patho-R1, a multimodal RL-based pathology Reasoner, trained through a three-stage pipeline: (1) continued pretraining on 3.5 million image-text pairs for knowledge infusion; (2) supervised fine-tuning on 500k high-quality Chain-of-Thought samples for reasoning incentivizing; (3) reinforcement learning using Group Relative Policy Optimization and Decoupled Clip and Dynamic sAmpling Policy Optimization strategies for multimodal reasoning quality refinement. To further assess the alignment quality of our dataset, we propose Patho-CLIP, trained on the same figure-caption corpus used for continued pretraining. Comprehensive experimental results demonstrate that both Patho-CLIP and Patho-R1 achieve robust performance across a wide range of pathology-related tasks, including zero-shot classification, cross-modal retrieval, Visual Question Answering, and Multiple Choice Question. Our project is available at the Patho-R1 repository: https://github.com/Wenchuan-Zhang/Patho-R1.
♻ ☆ Unified Source-Free Domain Adaptation
In the pursuit of transferring a source model to a target domain without access to the source training data, Source-Free Domain Adaptation (SFDA) has been extensively explored across various scenarios, including Closed-set, Open-set, Partial-set, and Generalized settings. Existing methods, focusing on specific scenarios, not only address a limited subset of challenges but also necessitate prior knowledge of the target domain, significantly limiting their practical utility and deployability. In light of these considerations, we introduce a more practical yet challenging problem, termed unified SFDA, which comprehensively incorporates all specific scenarios in a unified manner. In this paper, we propose a novel approach latent Causal factors discovery for unified SFDA(CausalDA). In contrast to previous alternatives that emphasize learning the statistical description of reality, we formulate CausalDA from a causality perspective. The objective is to uncover the causal relationships between latent variables and model decisions, enhancing the reliability and robustness of the learned model against domain shifts. To integrate extensive world knowledge, we leverage a pre-trained vision-language model such as CLIP. This aids in the formation and discovery of latent causal factors in the absence of supervision in the variation of distribution and semantics, coupled with a newly designed information bottleneck with theoretical guarantees. Extensive experiments demonstrate that CausalDA can achieve new state-of-the-art results in distinct SFDA settings, as well as source-free out-of-distribution generalization.
♻ ☆ FlagEvalMM: A Flexible Framework for Comprehensive Multimodal Model Evaluation
We present FlagEvalMM, an open-source evaluation framework designed to comprehensively assess multimodal models across a diverse range of vision-language understanding and generation tasks, such as visual question answering, text-to-image/video generation, and image-text retrieval. We decouple model inference from evaluation through an independent evaluation service, thus enabling flexible resource allocation and seamless integration of new tasks and models. Moreover, FlagEvalMM utilizes advanced inference acceleration tools (e.g., vLLM, SGLang) and asynchronous data loading to significantly enhance evaluation efficiency. Extensive experiments show that FlagEvalMM offers accurate and efficient insights into model strengths and limitations, making it a valuable tool for advancing multimodal research. The framework is publicly accessible athttps://github.com/flageval-baai/FlagEvalMM.
♻ ☆ T2V-OptJail: Discrete Prompt Optimization for Text-to-Video Jailbreak Attacks
In recent years, fueled by the rapid advancement of diffusion models, text-to-video (T2V) generation models have achieved remarkable progress, with notable examples including Pika, Luma, Kling, and Open-Sora. Although these models exhibit impressive generative capabilities, they also expose significant security risks due to their vulnerability to jailbreak attacks, where the models are manipulated to produce unsafe content such as pornography, violence, or discrimination. Existing works such as T2VSafetyBench provide preliminary benchmarks for safety evaluation, but lack systematic methods for thoroughly exploring model vulnerabilities. To address this gap, we are the first to formalize the T2V jailbreak attack as a discrete optimization problem and propose a joint objective-based optimization framework, called T2V-OptJail. This framework consists of two key optimization goals: bypassing the built-in safety filtering mechanisms to increase the attack success rate, preserving semantic consistency between the adversarial prompt and the unsafe input prompt, as well as between the generated video and the unsafe input prompt, to enhance content controllability. In addition, we introduce an iterative optimization strategy guided by prompt variants, where multiple semantically equivalent candidates are generated in each round, and their scores are aggregated to robustly guide the search toward optimal adversarial prompts. We conduct large-scale experiments on several T2V models, covering both open-source models and real commercial closed-source models. The experimental results show that the proposed method improves 11.4% and 10.0% over the existing state-of-the-art method in terms of attack success rate assessed by GPT-4, attack success rate assessed by human accessors, respectively, verifying the significant advantages of the method in terms of attack effectiveness and content control.
♻ ☆ Exploring Linear Attention Alternative for Single Image Super-Resolution
Deep learning-based single-image super-resolution (SISR) technology focuses on enhancing low-resolution (LR) images into high-resolution (HR) ones. Although significant progress has been made, challenges remain in computational complexity and quality, particularly in remote sensing image processing. To address these issues, we propose our Omni-Scale RWKV Super-Resolution (OmniRWKVSR) model which presents a novel approach that combines the Receptance Weighted Key Value (RWKV) architecture with feature extraction techniques such as Visual RWKV Spatial Mixing (VRSM) and Visual RWKV Channel Mixing (VRCM), aiming to overcome the limitations of existing methods and achieve superior SISR performance. This work has proved able to provide effective solutions for high-quality image reconstruction. Under the 4x Super-Resolution tasks, compared to the MambaIR model, we achieved an average improvement of 0.26% in PSNR and 0.16% in SSIM.
comment: This paper has been published to IEEE International Joint Conference on Neural Networks 2025 as the final camera ready version. Contact at nomodeset@qq.com
♻ ☆ Automated Muscle and Fat Segmentation in Computed Tomography for Comprehensive Body Composition Analysis
Body composition assessment using CT images can potentially be used for a number of clinical applications, including the prognostication of cardiovascular outcomes, evaluation of metabolic health, monitoring of disease progression, assessment of nutritional status, prediction of treatment response in oncology, and risk stratification for surgical and critical care outcomes. While multiple groups have developed in-house segmentation tools for this analysis, there are very limited publicly available tools that could be consistently used across different applications. To mitigate this gap, we present a publicly accessible, end-to-end segmentation and feature calculation model specifically for CT body composition analysis. Our model performs segmentation of skeletal muscle, subcutaneous adipose tissue (SAT), and visceral adipose tissue (VAT) across the chest, abdomen, and pelvis area in axial CT images. It also provides various body composition metrics, including muscle density, visceral-to-subcutaneous fat (VAT/SAT) ratio, muscle area/volume, and skeletal muscle index (SMI), supporting both 2D and 3D assessments. To evaluate the model, the segmentation was applied to both internal and external datasets, with body composition metrics analyzed across different age, sex, and race groups. The model achieved high dice coefficients on both internal and external datasets, exceeding 89% for skeletal muscle, SAT, and VAT segmentation. The model outperforms the benchmark by 2.40% on skeletal muscle and 10.26% on SAT compared to the manual annotations given by the publicly available dataset. Body composition metrics show mean relative absolute errors (MRAEs) under 10% for all measures. Furthermore, the model provided muscular fat segmentation with a Dice coefficient of 56.27%, which can be utilized for additional analyses as needed.
♻ ☆ Self-Supervised Enhancement for Depth from a Lightweight ToF Sensor with Monocular Images
Depth map enhancement using paired high-resolution RGB images offers a cost-effective solution for improving low-resolution depth data from lightweight ToF sensors. Nevertheless, naively adopting a depth estimation pipeline to fuse the two modalities requires groundtruth depth maps for supervision. To address this, we propose a self-supervised learning framework, SelfToF, which generates detailed and scale-aware depth maps. Starting from an image-based self-supervised depth estimation pipeline, we add low-resolution depth as inputs, design a new depth consistency loss, propose a scale-recovery module, and finally obtain a large performance boost. Furthermore, since the ToF signal sparsity varies in real-world applications, we upgrade SelfToF to SelfToF* with submanifold convolution and guided feature fusion. Consequently, SelfToF* maintain robust performance across varying sparsity levels in ToF data. Overall, our proposed method is both efficient and effective, as verified by extensive experiments on the NYU and ScanNet datasets. The code is available at \href{https://github.com/denyingmxd/selftof}{https://github.com/denyingmxd/selftof}.
comment: accepted by IROS 2025
Machine Learning 237
☆ A Variational Framework for Improving Naturalness in Generative Spoken Language Models ICML
The success of large language models in text processing has inspired their adaptation to speech modeling. However, since speech is continuous and complex, it is often discretized for autoregressive modeling. Speech tokens derived from self-supervised models (known as semantic tokens) typically focus on the linguistic aspects of speech but neglect prosodic information. As a result, models trained on these tokens can generate speech with reduced naturalness. Existing approaches try to fix this by adding pitch features to the semantic tokens. However, pitch alone cannot fully represent the range of paralinguistic attributes, and selecting the right features requires careful hand-engineering. To overcome this, we propose an end-to-end variational approach that automatically learns to encode these continuous speech attributes to enhance the semantic tokens. Our approach eliminates the need for manual extraction and selection of paralinguistic features. Moreover, it produces preferred speech continuations according to human raters. Code, samples and models are available at https://github.com/b04901014/vae-gslm.
comment: International Conference on Machine Learning (ICML) 2025
☆ Markov Regime-Switching Intelligent Driver Model for Interpretable Car-Following Behavior
Accurate and interpretable car-following models are essential for traffic simulation and autonomous vehicle development. However, classical models like the Intelligent Driver Model (IDM) are fundamentally limited by their parsimonious and single-regime structure. They fail to capture the multi-modal nature of human driving, where a single driving state (e.g., speed, relative speed, and gap) can elicit many different driver actions. This forces the model to average across distinct behaviors, reducing its fidelity and making its parameters difficult to interpret. To overcome this, we introduce a regime-switching framework that allows driving behavior to be governed by different IDM parameter sets, each corresponding to an interpretable behavioral mode. This design enables the model to dynamically switch between interpretable behavioral modes, rather than averaging across diverse driving contexts. We instantiate the framework using a Factorial Hidden Markov Model with IDM dynamics (FHMM-IDM), which explicitly separates intrinsic driving regimes (e.g., aggressive acceleration, steady-state following) from external traffic scenarios (e.g., free-flow, congestion, stop-and-go) through two independent latent Markov processes. Bayesian inference via Markov chain Monte Carlo (MCMC) is used to jointly estimate the regime-specific parameters, transition dynamics, and latent state trajectories. Experiments on the HighD dataset demonstrate that FHMM-IDM uncovers interpretable structure in human driving, effectively disentangling internal driver actions from contextual traffic conditions and revealing dynamic regime-switching patterns. This framework provides a tractable and principled solution to modeling context-dependent driving behavior under uncertainty, offering improvements in the fidelity of traffic simulations, the efficacy of safety analyses, and the development of more human-centric ADAS.
☆ Cost-Aware Routing for Efficient Text-To-Image Generation
Diffusion models are well known for their ability to generate a high-fidelity image for an input prompt through an iterative denoising process. Unfortunately, the high fidelity also comes at a high computational cost due the inherently sequential generative process. In this work, we seek to optimally balance quality and computational cost, and propose a framework to allow the amount of computation to vary for each prompt, depending on its complexity. Each prompt is automatically routed to the most appropriate text-to-image generation function, which may correspond to a distinct number of denoising steps of a diffusion model, or a disparate, independent text-to-image model. Unlike uniform cost reduction techniques (e.g., distillation, model quantization), our approach achieves the optimal trade-off by learning to reserve expensive choices (e.g., 100+ denoising steps) only for a few complex prompts, and employ more economical choices (e.g., small distilled model) for less sophisticated prompts. We empirically demonstrate on COCO and DiffusionDB that by learning to route to nine already-trained text-to-image models, our approach is able to deliver an average quality that is higher than that achievable by any of these models alone.
☆ On the Hardness of Bandit Learning
We study the task of bandit learning, also known as best-arm identification, under the assumption that the true reward function f belongs to a known, but arbitrary, function class F. We seek a general theory of bandit learnability, akin to the PAC framework for classification. Our investigation is guided by the following two questions: (1) which classes F are learnable, and (2) how they are learnable. For example, in the case of binary PAC classification, learnability is fully determined by a combinatorial dimension - the VC dimension- and can be attained via a simple algorithmic principle, namely, empirical risk minimization (ERM). In contrast to classical learning-theoretic results, our findings reveal limitations of learning in structured bandits, offering insights into the boundaries of bandit learnability. First, for the question of "which", we show that the paradigm of identifying the learnable classes via a dimension-like quantity fails for bandit learning. We give a simple proof demonstrating that no combinatorial dimension can characterize bandit learnability, even in finite classes, following a standard definition of dimension introduced by Ben-David et al. (2019). For the question of "how", we prove a computational hardness result: we construct a reward function class for which at most two queries are needed to find the optimal action, yet no algorithm can do so in polynomial time unless RP=NP. We also prove that this class admits efficient algorithms for standard algorithmic operations often considered in learning theory, such as an ERM. This implies that computational hardness is in this case inherent to the task of bandit learning. Beyond these results, we investigate additional themes such as learning under noise, trade-offs between noise models, and the relationship between query complexity and regret minimization.
comment: 13 main pages
☆ Treasure Hunt: Real-time Targeting of the Long Tail using Training-Time Markers
One of the most profound challenges of modern machine learning is performing well on the long-tail of rare and underrepresented features. Large general-purpose models are trained for many tasks, but work best on high-frequency use cases. After training, it is hard to adapt a model to perform well on specific use cases underrepresented in the training corpus. Relying on prompt engineering or few-shot examples to maximize the output quality on a particular test case can be frustrating, as models can be highly sensitive to small changes, react in unpredicted ways or rely on a fixed system prompt for maintaining performance. In this work, we ask: "Can we optimize our training protocols to both improve controllability and performance on underrepresented use cases at inference time?" We revisit the divide between training and inference techniques to improve long-tail performance while providing users with a set of control levers the model is trained to be responsive to. We create a detailed taxonomy of data characteristics and task provenance to explicitly control generation attributes and implicitly condition generations at inference time. We fine-tune a base model to infer these markers automatically, which makes them optional at inference time. This principled and flexible approach yields pronounced improvements in performance, especially on examples from the long tail of the training distribution. While we observe an average lift of 5.7% win rates in open-ended generation quality with our markers, we see over 9.1% gains in underrepresented domains. We also observe relative lifts of up to 14.1% on underrepresented tasks like CodeRepair and absolute improvements of 35.3% on length instruction following evaluations.
☆ Towards Desiderata-Driven Design of Visual Counterfactual Explainers
Visual counterfactual explainers (VCEs) are a straightforward and promising approach to enhancing the transparency of image classifiers. VCEs complement other types of explanations, such as feature attribution, by revealing the specific data transformations to which a machine learning model responds most strongly. In this paper, we argue that existing VCEs focus too narrowly on optimizing sample quality or change minimality; they fail to consider the more holistic desiderata for an explanation, such as fidelity, understandability, and sufficiency. To address this shortcoming, we explore new mechanisms for counterfactual generation and investigate how they can help fulfill these desiderata. We combine these mechanisms into a novel 'smooth counterfactual explorer' (SCE) algorithm and demonstrate its effectiveness through systematic evaluations on synthetic and real data.
☆ Uniform Mean Estimation for Heavy-Tailed Distributions via Median-of-Means
The Median of Means (MoM) is a mean estimator that has gained popularity in the context of heavy-tailed data. In this work, we analyze its performance in the task of simultaneously estimating the mean of each function in a class $\mathcal{F}$ when the data distribution possesses only the first $p$ moments for $p \in (1,2]$. We prove a new sample complexity bound using a novel symmetrization technique that may be of independent interest. Additionally, we present applications of our result to $k$-means clustering with unbounded inputs and linear regression with general losses, improving upon existing works.
☆ Accurate and scalable exchange-correlation with deep learning
Density Functional Theory (DFT) is the most widely used electronic structure method for predicting the properties of molecules and materials. Although DFT is, in principle, an exact reformulation of the Schr\"odinger equation, practical applications rely on approximations to the unknown exchange-correlation (XC) functional. Most existing XC functionals are constructed using a limited set of increasingly complex, hand-crafted features that improve accuracy at the expense of computational efficiency. Yet, no current approximation achieves the accuracy and generality for predictive modeling of laboratory experiments at chemical accuracy -- typically defined as errors below 1 kcal/mol. In this work, we present Skala, a modern deep learning-based XC functional that bypasses expensive hand-designed features by learning representations directly from data. Skala achieves chemical accuracy for atomization energies of small molecules while retaining the computational efficiency typical of semi-local DFT. This performance is enabled by training on an unprecedented volume of high-accuracy reference data generated using computationally intensive wavefunction-based methods. Notably, Skala systematically improves with additional training data covering diverse chemistry. By incorporating a modest amount of additional high-accuracy data tailored to chemistry beyond atomization energies, Skala achieves accuracy competitive with the best-performing hybrid functionals across general main group chemistry, at the cost of semi-local DFT. As the training dataset continues to expand, Skala is poised to further enhance the predictive power of first-principles simulations.
comment: Main: 13 pages plus references, 11 figures and tables. Supplementary information: 19 pages, 12 figures and tables
☆ Rigor in AI: Doing Rigorous AI Work Requires a Broader, Responsible AI-Informed Conception of Rigor
In AI research and practice, rigor remains largely understood in terms of methodological rigor -- such as whether mathematical, statistical, or computational methods are correctly applied. We argue that this narrow conception of rigor has contributed to the concerns raised by the responsible AI community, including overblown claims about AI capabilities. Our position is that a broader conception of what rigorous AI research and practice should entail is needed. We believe such a conception -- in addition to a more expansive understanding of (1) methodological rigor -- should include aspects related to (2) what background knowledge informs what to work on (epistemic rigor); (3) how disciplinary, community, or personal norms, standards, or beliefs influence the work (normative rigor); (4) how clearly articulated the theoretical constructs under use are (conceptual rigor); (5) what is reported and how (reporting rigor); and (6) how well-supported the inferences from existing evidence are (interpretative rigor). In doing so, we also aim to provide useful language and a framework for much-needed dialogue about the AI community's work by researchers, policymakers, journalists, and other stakeholders.
comment: 20 pages, 1 figure, 1 table
☆ Revisiting Chain-of-Thought Prompting: Zero-shot Can Be Stronger than Few-shot
In-Context Learning (ICL) is an essential emergent ability of Large Language Models (LLMs), and recent studies introduce Chain-of-Thought (CoT) to exemplars of ICL to enhance the reasoning capability, especially in mathematics tasks. However, given the continuous advancement of model capabilities, it remains unclear whether CoT exemplars still benefit recent, stronger models in such tasks. Through systematic experiments, we find that for recent strong models such as the Qwen2.5 series, adding traditional CoT exemplars does not improve reasoning performance compared to Zero-Shot CoT. Instead, their primary function is to align the output format with human expectations. We further investigate the effectiveness of enhanced CoT exemplars, constructed using answers from advanced models such as \texttt{Qwen2.5-Max} and \texttt{DeepSeek-R1}. Experimental results indicate that these enhanced exemplars still fail to improve the model's reasoning performance. Further analysis reveals that models tend to ignore the exemplars and focus primarily on the instructions, leading to no observable gain in reasoning ability. Overall, our findings highlight the limitations of the current ICL+CoT framework in mathematical reasoning, calling for a re-examination of the ICL paradigm and the definition of exemplars.
comment: 19 pages,22 figures
☆ Feasibility-Driven Trust Region Bayesian Optimization
Bayesian optimization is a powerful tool for solving real-world optimization tasks under tight evaluation budgets, making it well-suited for applications involving costly simulations or experiments. However, many of these tasks are also characterized by the presence of expensive constraints whose analytical formulation is unknown and often defined in high-dimensional spaces where feasible regions are small, irregular, and difficult to identify. In such cases, a substantial portion of the optimization budget may be spent just trying to locate the first feasible solution, limiting the effectiveness of existing methods. In this work, we present a Feasibility-Driven Trust Region Bayesian Optimization (FuRBO) algorithm. FuRBO iteratively defines a trust region from which the next candidate solution is selected, using information from both the objective and constraint surrogate models. Our adaptive strategy allows the trust region to shift and resize significantly between iterations, enabling the optimizer to rapidly refocus its search and consistently accelerate the discovery of feasible and good-quality solutions. We empirically demonstrate the effectiveness of FuRBO through extensive testing on the full BBOB-constrained COCO benchmark suite and other physics-inspired benchmarks, comparing it against state-of-the-art baselines for constrained black-box optimization across varying levels of constraint severity and problem dimensionalities ranging from 2 to 60.
comment: Accepted for publication at AutoML2025
☆ Expressive Score-Based Priors for Distribution Matching with Geometry-Preserving Regularization ICML 2025
Distribution matching (DM) is a versatile domain-invariant representation learning technique that has been applied to tasks such as fair classification, domain adaptation, and domain translation. Non-parametric DM methods struggle with scalability and adversarial DM approaches suffer from instability and mode collapse. While likelihood-based methods are a promising alternative, they often impose unnecessary biases through fixed priors or require explicit density models (e.g., flows) that can be challenging to train. We address this limitation by introducing a novel approach to training likelihood-based DM using expressive score-based prior distributions. Our key insight is that gradient-based DM training only requires the prior's score function -- not its density -- allowing us to train the prior via denoising score matching. This approach eliminates biases from fixed priors (e.g., in VAEs), enabling more effective use of geometry-preserving regularization, while avoiding the challenge of learning an explicit prior density model (e.g., a flow-based prior). Our method also demonstrates better stability and computational efficiency compared to other diffusion-based priors (e.g., LSGM). Furthermore, experiments demonstrate superior performance across multiple tasks, establishing our score-based method as a stable and effective approach to distribution matching. Source code available at https://github.com/inouye-lab/SAUB.
comment: 32 pages, 20 figures. Accepted to ICML 2025
☆ Guaranteed Guess: A Language Modeling Approach for CISC-to-RISC Transpilation with Testing Guarantees
The hardware ecosystem is rapidly evolving, with increasing interest in translating low-level programs across different instruction set architectures (ISAs) in a quick, flexible, and correct way to enhance the portability and longevity of existing code. A particularly challenging class of this transpilation problem is translating between complex- (CISC) and reduced- (RISC) hardware architectures, due to fundamental differences in instruction complexity, memory models, and execution paradigms. In this work, we introduce GG (Guaranteed Guess), an ISA-centric transpilation pipeline that combines the translation power of pre-trained large language models (LLMs) with the rigor of established software testing constructs. Our method generates candidate translations using an LLM from one ISA to another, and embeds such translations within a software-testing framework to build quantifiable confidence in the translation. We evaluate our GG approach over two diverse datasets, enforce high code coverage (>98%) across unit tests, and achieve functional/semantic correctness of 99% on HumanEval programs and 49% on BringupBench programs, respectively. Further, we compare our approach to the state-of-the-art Rosetta 2 framework on Apple Silicon, showcasing 1.73x faster runtime performance, 1.47x better energy efficiency, and 2.41x better memory usage for our transpiled code, demonstrating the effectiveness of GG for real-world CISC-to-RISC translation tasks. We will open-source our codes, data, models, and benchmarks to establish a common foundation for ISA-level code translation research.
comment: Project page: https://ahmedheakl.github.io/Guaranteed-Guess/
☆ Unsupervised Imaging Inverse Problems with Diffusion Distribution Matching
This work addresses image restoration tasks through the lens of inverse problems using unpaired datasets. In contrast to traditional approaches -- which typically assume full knowledge of the forward model or access to paired degraded and ground-truth images -- the proposed method operates under minimal assumptions and relies only on small, unpaired datasets. This makes it particularly well-suited for real-world scenarios, where the forward model is often unknown or misspecified, and collecting paired data is costly or infeasible. The method leverages conditional flow matching to model the distribution of degraded observations, while simultaneously learning the forward model via a distribution-matching loss that arises naturally from the framework. Empirically, it outperforms both single-image blind and unsupervised approaches on deblurring and non-uniform point spread function (PSF) calibration tasks. It also matches state-of-the-art performance on blind super-resolution. We also showcase the effectiveness of our method with a proof of concept for lens calibration: a real-world application traditionally requiring time-consuming experiments and specialized equipment. In contrast, our approach achieves this with minimal data acquisition effort.
comment: Code available at https://github.com/inria-thoth/ddm4ip
☆ Align Your Flow: Scaling Continuous-Time Flow Map Distillation
Diffusion- and flow-based models have emerged as state-of-the-art generative modeling approaches, but they require many sampling steps. Consistency models can distill these models into efficient one-step generators; however, unlike flow- and diffusion-based methods, their performance inevitably degrades when increasing the number of steps, which we show both analytically and empirically. Flow maps generalize these approaches by connecting any two noise levels in a single step and remain effective across all step counts. In this paper, we introduce two new continuous-time objectives for training flow maps, along with additional novel training techniques, generalizing existing consistency and flow matching objectives. We further demonstrate that autoguidance can improve performance, using a low-quality model for guidance during distillation, and an additional boost can be achieved by adversarial finetuning, with minimal loss in sample diversity. We extensively validate our flow map models, called Align Your Flow, on challenging image generation benchmarks and achieve state-of-the-art few-step generation performance on both ImageNet 64x64 and 512x512, using small and efficient neural networks. Finally, we show text-to-image flow map models that outperform all existing non-adversarially trained few-step samplers in text-conditioned synthesis.
comment: Project page: https://research.nvidia.com/labs/toronto-ai/AlignYourFlow/
☆ Deep Learning Surrogates for Real-Time Gas Emission Inversion
Real-time identification and quantification of greenhouse-gas emissions under transient atmospheric conditions is a critical challenge in environmental monitoring. We introduce a spatio-temporal inversion framework that embeds a deep-learning surrogate of computational fluid dynamics (CFD) within a sequential Monte Carlo algorithm to perform Bayesian inference of both emission rate and source location in dynamic flow fields. By substituting costly numerical solvers with a multilayer perceptron trained on high-fidelity CFD outputs, our surrogate captures spatial heterogeneity and temporal evolution of gas dispersion, while delivering near-real-time predictions. Validation on the Chilbolton methane release dataset demonstrates comparable accuracy to full CFD solvers and Gaussian plume models, yet achieves orders-of-magnitude faster runtimes. Further experiments under simulated obstructed-flow scenarios confirm robustness in complex environments. This work reconciles physical fidelity with computational feasibility, offering a scalable solution for industrial emissions monitoring and other time-sensitive spatio-temporal inversion tasks in environmental and scientific modeling.
comment: 3 figures, 11 pages
☆ SCISSOR: Mitigating Semantic Bias through Cluster-Aware Siamese Networks for Robust Classification
Shortcut learning undermines model generalization to out-of-distribution data. While the literature attributes shortcuts to biases in superficial features, we show that imbalances in the semantic distribution of sample embeddings induce spurious semantic correlations, compromising model robustness. To address this issue, we propose SCISSOR (Semantic Cluster Intervention for Suppressing ShORtcut), a Siamese network-based debiasing approach that remaps the semantic space by discouraging latent clusters exploited as shortcuts. Unlike prior data-debiasing approaches, SCISSOR eliminates the need for data augmentation and rewriting. We evaluate SCISSOR on 6 models across 4 benchmarks: Chest-XRay and Not-MNIST in computer vision, and GYAFC and Yelp in NLP tasks. Compared to several baselines, SCISSOR reports +5.3 absolute points in F1 score on GYAFC, +7.3 on Yelp, +7.7 on Chest-XRay, and +1 on Not-MNIST. SCISSOR is also highly advantageous for lightweight models with ~9.5% improvement on F1 for ViT on computer vision datasets and ~11.9% for BERT on NLP. Our study redefines the landscape of model generalization by addressing overlooked semantic biases, establishing SCISSOR as a foundational framework for mitigating shortcut learning and fostering more robust, bias-resistant AI systems.
comment: 20 pages
☆ Busting the Paper Ballot: Voting Meets Adversarial Machine Learning
We show the security risk associated with using machine learning classifiers in United States election tabulators. The central classification task in election tabulation is deciding whether a mark does or does not appear on a bubble associated to an alternative in a contest on the ballot. Barretto et al. (E-Vote-ID 2021) reported that convolutional neural networks are a viable option in this field, as they outperform simple feature-based classifiers. Our contributions to election security can be divided into four parts. To demonstrate and analyze the hypothetical vulnerability of machine learning models on election tabulators, we first introduce four new ballot datasets. Second, we train and test a variety of different models on our new datasets. These models include support vector machines, convolutional neural networks (a basic CNN, VGG and ResNet), and vision transformers (Twins and CaiT). Third, using our new datasets and trained models, we demonstrate that traditional white box attacks are ineffective in the voting domain due to gradient masking. Our analyses further reveal that gradient masking is a product of numerical instability. We use a modified difference of logits ratio loss to overcome this issue (Croce and Hein, ICML 2020). Fourth, in the physical world, we conduct attacks with the adversarial examples generated using our new methods. In traditional adversarial machine learning, a high (50% or greater) attack success rate is ideal. However, for certain elections, even a 5% attack success rate can flip the outcome of a race. We show such an impact is possible in the physical domain. We thoroughly discuss attack realism, and the challenges and practicality associated with printing and scanning ballot adversarial examples.
comment: 18 Pages. Author version of article to appear at CCS 2025
☆ Object-Centric Neuro-Argumentative Learning
Over the last decade, as we rely more on deep learning technologies to make critical decisions, concerns regarding their safety, reliability and interpretability have emerged. We introduce a novel Neural Argumentative Learning (NAL) architecture that integrates Assumption-Based Argumentation (ABA) with deep learning for image analysis. Our architecture consists of neural and symbolic components. The former segments and encodes images into facts using object-centric learning, while the latter applies ABA learning to develop ABA frameworks enabling predictions with images. Experiments on synthetic data show that the NAL architecture can be competitive with a state-of-the-art alternative.
comment: Proceedings of Machine Learning Research, 2025 19th Conference on Neurosymbolic Learning and Reasoning
☆ TGDPO: Harnessing Token-Level Reward Guidance for Enhancing Direct Preference Optimization ICML 2025
Recent advancements in reinforcement learning from human feedback have shown that utilizing fine-grained token-level reward models can substantially enhance the performance of Proximal Policy Optimization (PPO) in aligning large language models. However, it is challenging to leverage such token-level reward as guidance for Direct Preference Optimization (DPO), since DPO is formulated as a sequence-level bandit problem. To address this challenge, this work decomposes the sequence-level PPO into a sequence of token-level proximal policy optimization problems and then frames the problem of token-level PPO with token-level reward guidance, from which closed-form optimal token-level policy and the corresponding token-level reward can be derived. Using the obtained reward and Bradley-Terry model, this work establishes a framework of computable loss functions with token-level reward guidance for DPO, and proposes a practical reward guidance based on the induced DPO reward. This formulation enables different tokens to exhibit varying degrees of deviation from reference policy based on their respective rewards. Experiment results demonstrate that our method achieves substantial performance improvements over DPO, with win rate gains of up to 7.5 points on MT-Bench, 6.2 points on AlpacaEval 2, and 4.3 points on Arena-Hard. Code is available at https://github.com/dvlab-research/TGDPO.
comment: ICML 2025
☆ The Perception of Phase Intercept Distortion and its Application in Data Augmentation
Phase distortion refers to the alteration of the phase relationships between frequencies in a signal, which can be perceptible. In this paper, we discuss a special case of phase distortion known as phase-intercept distortion, which is created by a frequency-independent phase shift. We hypothesize that, though this form of distortion changes a signal's waveform significantly, the distortion is imperceptible. Human-subject experiment results are reported which are consistent with this hypothesis. Furthermore, we discuss how the imperceptibility of phase-intercept distortion can be useful for machine learning, specifically for data augmentation. We conducted multiple experiments using phase-intercept distortion as a novel approach to data augmentation, and obtained improved results for audio machine learning tasks.
comment: Submitted to the IEEE Workshop on Applications of Signal Processing to Audio and Acoustics (WASPAA) 2025
☆ Single-Example Learning in a Mixture of GPDMs with Latent Geometries
We present the Gaussian process dynamical mixture model (GPDMM) and show its utility in single-example learning of human motion data. The Gaussian process dynamical model (GPDM) is a form of the Gaussian process latent variable model (GPLVM), but optimized with a hidden Markov model dynamical prior. The GPDMM combines multiple GPDMs in a probabilistic mixture-of-experts framework, utilizing embedded geometric features to allow for diverse sequences to be encoded in a single latent space, enabling the categorization and generation of each sequence class. GPDMs and our mixture model are particularly advantageous in addressing the challenges of modeling human movement in scenarios where data is limited and model interpretability is vital, such as in patient-specific medical applications like prosthesis control. We score the GPDMM on classification accuracy and generative ability in single-example learning, showcase model variations, and benchmark it against LSTMs, VAEs, and transformers.
comment: 13 pages, 2 figures, 3 tables
☆ AlphaDecay:Module-wise Weight Decay for Heavy-Tailed Balancing in LLMs
Weight decay is a standard regularization technique for training large language models (LLMs). While it is common to assign a uniform decay rate to every layer, this approach overlooks the structural diversity of LLMs and the varying spectral properties across modules. In this paper, we introduce AlphaDecay, a simple yet effective method that adaptively assigns different weight decay strengths to each module of an LLM. Our approach is guided by Heavy-Tailed Self-Regularization (HT-SR) theory, which analyzes the empirical spectral density (ESD) of weight correlation matrices to quantify "heavy-tailedness." Modules exhibiting more pronounced heavy-tailed ESDs, reflecting stronger feature learning, are assigned weaker decay, while modules with lighter-tailed spectra receive stronger decay. Our method leverages tailored weight decay assignments to balance the module-wise differences in spectral properties, leading to improved performance. Extensive pre-training tasks with various model sizes from 60M to 1B demonstrate that AlphaDecay achieves better perplexity and generalization than conventional uniform decay and other adaptive decay baselines.
☆ Risk Estimation of Knee Osteoarthritis Progression via Predictive Multi-task Modelling from Efficient Diffusion Model using X-ray Images
Medical imaging plays a crucial role in assessing knee osteoarthritis (OA) risk by enabling early detection and disease monitoring. Recent machine learning methods have improved risk estimation (i.e., predicting the likelihood of disease progression) and predictive modelling (i.e., the forecasting of future outcomes based on current data) using medical images, but clinical adoption remains limited due to their lack of interpretability. Existing approaches that generate future images for risk estimation are complex and impractical. Additionally, previous methods fail to localize anatomical knee landmarks, limiting interpretability. We address these gaps with a new interpretable machine learning method to estimate the risk of knee OA progression via multi-task predictive modelling that classifies future knee OA severity and predicts anatomical knee landmarks from efficiently generated high-quality future images. Such image generation is achieved by leveraging a diffusion model in a class-conditioned latent space to forecast disease progression, offering a visual representation of how particular health conditions may evolve. Applied to the Osteoarthritis Initiative dataset, our approach improves the state-of-the-art (SOTA) by 2\%, achieving an AUC of 0.71 in predicting knee OA progression while offering ~9% faster inference time.
☆ Aligning Evaluation with Clinical Priorities: Calibration, Label Shift, and Error Costs
Machine learning-based decision support systems are increasingly deployed in clinical settings, where probabilistic scoring functions are used to inform and prioritize patient management decisions. However, widely used scoring rules, such as accuracy and AUC-ROC, fail to adequately reflect key clinical priorities, including calibration, robustness to distributional shifts, and sensitivity to asymmetric error costs. In this work, we propose a principled yet practical evaluation framework for selecting calibrated thresholded classifiers that explicitly accounts for the uncertainty in class prevalences and domain-specific cost asymmetries often found in clinical settings. Building on the theory of proper scoring rules, particularly the Schervish representation, we derive an adjusted variant of cross-entropy (log score) that averages cost-weighted performance over clinically relevant ranges of class balance. The resulting evaluation is simple to apply, sensitive to clinical deployment conditions, and designed to prioritize models that are both calibrated and robust to real-world variations.
☆ Sharp Generalization Bounds for Foundation Models with Asymmetric Randomized Low-Rank Adapters
Low-Rank Adaptation (LoRA) has emerged as a widely adopted parameter-efficient fine-tuning (PEFT) technique for foundation models. Recent work has highlighted an inherent asymmetry in the initialization of LoRA's low-rank factors, which has been present since its inception and was presumably derived experimentally. This paper focuses on providing a comprehensive theoretical characterization of asymmetric LoRA with frozen random factors. First, while existing research provides upper-bound generalization guarantees based on averages over multiple experiments, the behaviour of a single fine-tuning run with specific random factors remains an open question. We address this by investigating the concentration of the typical LoRA generalization gap around its mean. Our main upper bound reveals a sample complexity of $\tilde{\mathcal{O}}\left(\frac{\sqrt{r}}{\sqrt{N}}\right)$ with high probability for rank $r$ LoRAs trained on $N$ samples. Additionally, we also determine the fundamental limits in terms of sample efficiency, establishing a matching lower bound of $\mathcal{O}\left(\frac{1}{\sqrt{N}}\right)$. By more closely reflecting the practical scenario of a single fine-tuning run, our findings offer crucial insights into the reliability and practicality of asymmetric LoRA.
☆ Automated Decision-Making on Networks with LLMs through Knowledge-Guided Evolution
Effective decision-making on networks often relies on learning from graph-structured data, where Graph Neural Networks (GNNs) play a central role, but they take efforts to configure and tune. In this demo, we propose LLMNet, showing how to design GNN automated through Large Language Models. Our system develops a set of agents that construct graph-related knowlege bases and then leverages Retrieval-Augmented Generation (RAG) to support automated configuration and refinement of GNN models through a knowledge-guided evolution process. These agents, equipped with specialized knowledge bases, extract insights into tasks and graph structures by interacting with the knowledge bases. Empirical results show LLMNet excels in twelve datasets across three graph learning tasks, validating its effectiveness of GNN model designing.
☆ Towards Improved Research Methodologies for Industrial AI: A case study of false call reduction
Are current artificial intelligence (AI) research methodologies ready to create successful, productive, and profitable AI applications? This work presents a case study on an industrial AI use case called false call reduction for automated optical inspection to demonstrate the shortcomings of current best practices. We identify seven weaknesses prevalent in related peer-reviewed work and experimentally show their consequences. We show that the best-practice methodology would fail for this use case. We argue amongst others for the necessity of requirement-aware metrics to ensure achieving business objectives, clear definitions of success criteria, and a thorough analysis of temporal dynamics in experimental datasets. Our work encourages researchers to critically assess their methodologies for more successful applied AI research.
comment: Submitted and accepted to IEEE COMPSAC 2025
☆ Two-Player Zero-Sum Games with Bandit Feedback
We study a two-player zero-sum game (TPZSG) in which the row player aims to maximize their payoff against an adversarial column player, under an unknown payoff matrix estimated through bandit feedback. We propose and analyze two algorithms: ETC-TPZSG, which directly applies ETC to the TPZSG setting and ETC-TPZSG-AE, which improves upon it by incorporating an action pair elimination (AE) strategy that leverages the $\varepsilon$-Nash Equilibrium property to efficiently select the optimal action pair. Our objective is to demonstrate the applicability of ETC in a TPZSG setting by focusing on learning pure strategy Nash Equilibrium. A key contribution of our work is a derivation of instance-dependent upper bounds on the expected regret for both algorithms, has received limited attention in the literature on zero-sum games. Particularly, after $T$ rounds, we achieve an instance-dependent regret upper bounds of $O(\Delta + \sqrt{T})$ for ETC-TPZSG and $O(\frac{\log (T \Delta^2)}{\Delta})$ for ETC-TPZSG-AE, where $\Delta$ denotes the suboptimality gap. Therefore, our results indicate that ETC-based algorithms perform effectively in adversarial game settings, achieving regret bounds comparable to existing methods while providing insights through instance-dependent analysis.
☆ Train Once, Forget Precisely: Anchored Optimization for Efficient Post-Hoc Unlearning ICML
As machine learning systems increasingly rely on data subject to privacy regulation, selectively unlearning specific information from trained models has become essential. In image classification, this involves removing the influence of particular training samples, semantic classes, or visual styles without full retraining. We introduce \textbf{Forget-Aligned Model Reconstruction (FAMR)}, a theoretically grounded and computationally efficient framework for post-hoc unlearning in deep image classifiers. FAMR frames forgetting as a constrained optimization problem that minimizes a uniform-prediction loss on the forget set while anchoring model parameters to their original values via an $\ell_2$ penalty. A theoretical analysis links FAMR's solution to influence-function-based retraining approximations, with bounds on parameter and output deviation. Empirical results on class forgetting tasks using CIFAR-10 and ImageNet-100 demonstrate FAMR's effectiveness, with strong performance retention and minimal computational overhead. The framework generalizes naturally to concept and style erasure, offering a scalable and certifiable route to efficient post-hoc forgetting in vision models.
comment: Accepted at ICML MUGen'25
☆ Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned Diffusion
Breakthroughs in high-accuracy protein structure prediction, such as AlphaFold, have established receptor-based molecule design as a critical driver for rapid early-phase drug discovery. However, most approaches still struggle to balance pocket-specific geometric fit with strict valence and synthetic constraints. To resolve this trade-off, a Retrieval-Enhanced Aligned Diffusion termed READ is introduced, which is the first to merge molecular Retrieval-Augmented Generation with an SE(3)-equivariant diffusion model. Specifically, a contrastively pre-trained encoder aligns atom-level representations during training, then retrieves graph embeddings of pocket-matched scaffolds to guide each reverse-diffusion step at inference. This single mechanism can inject real-world chemical priors exactly where needed, producing valid, diverse, and shape-complementary ligands. Experimental results demonstrate that READ can achieve very competitive performance in CBGBench, surpassing state-of-the-art generative models and even native ligands. That suggests retrieval and diffusion can be co-optimized for faster, more reliable structure-based drug design.
comment: 13 pages, 5 figures
☆ Adaptive Data Augmentation for Thompson Sampling
In linear contextual bandits, the objective is to select actions that maximize cumulative rewards, modeled as a linear function with unknown parameters. Although Thompson Sampling performs well empirically, it does not achieve optimal regret bounds. This paper proposes a nearly minimax optimal Thompson Sampling for linear contextual bandits by developing a novel estimator with the adaptive augmentation and coupling of the hypothetical samples that are designed for efficient parameter learning. The proposed estimator accurately predicts rewards for all arms without relying on assumptions for the context distribution. Empirical results show robust performance and significant improvement over existing methods.
Foundation Model Insights and a Multi-Model Approach for Superior Fine-Grained One-shot Subset Selection ICML 2025
One-shot subset selection serves as an effective tool to reduce deep learning training costs by identifying an informative data subset based on the information extracted by an information extractor (IE). Traditional IEs, typically pre-trained on the target dataset, are inherently dataset-dependent. Foundation models (FMs) offer a promising alternative, potentially mitigating this limitation. This work investigates two key questions: (1) Can FM-based subset selection outperform traditional IE-based methods across diverse datasets? (2) Do all FMs perform equally well as IEs for subset selection? Extensive experiments uncovered surprising insights: FMs consistently outperform traditional IEs on fine-grained datasets, whereas their advantage diminishes on coarse-grained datasets with noisy labels. Motivated by these finding, we propose RAM-APL (RAnking Mean-Accuracy of Pseudo-class Labels), a method tailored for fine-grained image datasets. RAM-APL leverages multiple FMs to enhance subset selection by exploiting their complementary strengths. Our approach achieves state-of-the-art performance on fine-grained datasets, including Oxford-IIIT Pet, Food-101, and Caltech-UCSD Birds-200-2011.
comment: 18 pages, 10 figures, accepted by ICML 2025
☆ Leveraging External Factors in Household-Level Electrical Consumption Forecasting using Hypernetworks KDD 2025
Accurate electrical consumption forecasting is crucial for efficient energy management and resource allocation. While traditional time series forecasting relies on historical patterns and temporal dependencies, incorporating external factors -- such as weather indicators -- has shown significant potential for improving prediction accuracy in complex real-world applications. However, the inclusion of these additional features often degrades the performance of global predictive models trained on entire populations, despite improving individual household-level models. To address this challenge, we found that a hypernetwork architecture can effectively leverage external factors to enhance the accuracy of global electrical consumption forecasting models, by specifically adjusting the model weights to each consumer. We collected a comprehensive dataset spanning two years, comprising consumption data from over 6000 luxembourgish households and corresponding external factors such as weather indicators, holidays, and major local events. By comparing various forecasting models, we demonstrate that a hypernetwork approach outperforms existing methods when associated to external factors, reducing forecasting errors and achieving the best accuracy while maintaining the benefits of a global model.
comment: ECML PKDD 2025
☆ A Scalable Hybrid Training Approach for Recurrent Spiking Neural Networks
Recurrent spiking neural networks (RSNNs) can be implemented very efficiently in neuromorphic systems. Nevertheless, training of these models with powerful gradient-based learning algorithms is mostly performed on standard digital hardware using Backpropagation through time (BPTT). However, BPTT has substantial limitations. It does not permit online training and its memory consumption scales linearly with the number of computation steps. In contrast, learning methods using forward propagation of gradients operate in an online manner with a memory consumption independent of the number of time steps. These methods enable SNNs to learn from continuous, infinite-length input sequences. Yet, slow execution speed on conventional hardware as well as inferior performance has hindered their widespread application. In this work, we introduce HYbrid PRopagation (HYPR) that combines the efficiency of parallelization with approximate online forward learning. Our algorithm yields high-throughput online learning through parallelization, paired with constant, i.e., sequence length independent, memory demands. HYPR enables parallelization of parameter update computation over the sub sequences for RSNNs consisting of almost arbitrary non-linear spiking neuron models. We apply HYPR to networks of spiking neurons with oscillatory subthreshold dynamics. We find that this type of neuron model is particularly well trainable by HYPR, resulting in an unprecedentedly low task performance gap between approximate forward gradient learning and BPTT.
☆ Zeroth-Order Optimization is Secretly Single-Step Policy Optimization
Zeroth-Order Optimization (ZOO) provides powerful tools for optimizing functions where explicit gradients are unavailable or expensive to compute. However, the underlying mechanisms of popular ZOO methods, particularly those employing randomized finite differences, and their connection to other optimization paradigms like Reinforcement Learning (RL) are not fully elucidated. This paper establishes a fundamental and previously unrecognized connection: ZOO with finite differences is equivalent to a specific instance of single-step Policy Optimization (PO). We formally unveil that the implicitly smoothed objective function optimized by common ZOO algorithms is identical to a single-step PO objective. Furthermore, we show that widely used ZOO gradient estimators, are mathematically equivalent to the REINFORCE gradient estimator with a specific baseline function, revealing the variance-reducing mechanism in ZOO from a PO perspective.Built on this unified framework, we propose ZoAR (Zeroth-Order Optimization with Averaged Baseline and Query Reuse), a novel ZOO algorithm incorporating PO-inspired variance reduction techniques: an averaged baseline from recent evaluations and query reuse analogous to experience replay. Our theoretical analysis further substantiates these techniques reduce variance and enhance convergence. Extensive empirical studies validate our theory and demonstrate that ZoAR significantly outperforms other methods in terms of convergence speed and final performance. Overall, our work provides a new theoretical lens for understanding ZOO and offers practical algorithmic improvements derived from its connection to PO.
☆ A Model-Mediated Stacked Ensemble Approach for Depression Prediction Among Professionals
Depression is a significant mental health concern, particularly in professional environments where work-related stress, financial pressure, and lifestyle imbalances contribute to deteriorating well-being. Despite increasing awareness, researchers and practitioners face critical challenges in developing accurate and generalizable predictive models for mental health disorders. Traditional classification approaches often struggle with the complexity of depression, as it is influenced by multifaceted, interdependent factors, including occupational stress, sleep patterns, and job satisfaction. This study addresses these challenges by proposing a stacking-based ensemble learning approach to improve the predictive accuracy of depression classification among professionals. The Depression Professional Dataset has been collected from Kaggle. The dataset comprises demographic, occupational, and lifestyle attributes that influence mental well-being. Our stacking model integrates multiple base learners with a logistic regression-mediated model, effectively capturing diverse learning patterns. The experimental results demonstrate that the proposed model achieves high predictive performance, with an accuracy of 99.64% on training data and 98.75% on testing data, with precision, recall, and F1-score all exceeding 98%. These findings highlight the effectiveness of ensemble learning in mental health analytics and underscore its potential for early detection and intervention strategies.
Dataset distillation for memorized data: Soft labels can leak held-out teacher knowledge
Dataset distillation aims to compress training data into fewer examples via a teacher, from which a student can learn effectively. While its success is often attributed to structure in the data, modern neural networks also memorize specific facts, but if and how such memorized information is can transferred in distillation settings remains less understood. In this work, we show that students trained on soft labels from teachers can achieve non-trivial accuracy on held-out memorized data they never directly observed. This effect persists on structured data when the teacher has not generalized.To analyze it in isolation, we consider finite random i.i.d. datasets where generalization is a priori impossible and a successful teacher fit implies pure memorization. Still, students can learn non-trivial information about the held-out data, in some cases up to perfect accuracy. In those settings, enough soft labels are available to recover the teacher functionally - the student matches the teacher's predictions on all possible inputs, including the held-out memorized data. We show that these phenomena strongly depend on the temperature with which the logits are smoothed, but persist across varying network capacities, architectures and dataset compositions.
comment: 9 pages, 21 figures
☆ Detecting immune cells with label-free two-photon autofluorescence and deep learning
Label-free imaging has gained broad interest because of its potential to omit elaborate staining procedures which is especially relevant for in vivo use. Label-free multiphoton microscopy (MPM), for instance, exploits two-photon excitation of natural autofluorescence (AF) from native, metabolic proteins, making it ideal for in vivo endomicroscopy. Deep learning (DL) models have been widely used in other optical imaging technologies to predict specific target annotations and thereby digitally augment the specificity of these label-free images. However, this computational specificity has only rarely been implemented for MPM. In this work, we used a data set of label-free MPM images from a series of different immune cell types (5,075 individual cells for binary classification in mixed samples and 3,424 cells for a multi-class classification task) and trained a convolutional neural network (CNN) to classify cell types based on this label-free AF as input. A low-complexity squeezeNet architecture was able to achieve reliable immune cell classification results (0.89 ROC-AUC, 0.95 PR-AUC, for binary classification in mixed samples; 0.689 F1 score, 0.697 precision, 0.748 recall, and 0.683 MCC for six-class classification in isolated samples). Perturbation tests confirmed that the model is not confused by extracellular environment and that both input AF channels (NADH and FAD) are about equally important to the classification. In the future, such predictive DL models could directly detect specific immune cells in unstained images and thus, computationally improve the specificity of label-free MPM which would have great potential for in vivo endomicroscopy.
☆ Model compression using knowledge distillation with integrated gradients
Model compression is critical for deploying deep learning models on resource-constrained devices. We introduce a novel method enhancing knowledge distillation with integrated gradients (IG) as a data augmentation strategy. Our approach overlays IG maps onto input images during training, providing student models with deeper insights into teacher models' decision-making processes. Extensive evaluation on CIFAR-10 demonstrates that our IG-augmented knowledge distillation achieves 92.6% testing accuracy with a 4.1x compression factor-a significant 1.1 percentage point improvement ($p<0.001$) over non-distilled models (91.5%). This compression reduces inference time from 140 ms to 13 ms. Our method precomputes IG maps before training, transforming substantial runtime costs into a one-time preprocessing step. Our comprehensive experiments include: (1) comparisons with attention transfer, revealing complementary benefits when combined with our approach; (2) Monte Carlo simulations confirming statistical robustness; (3) systematic evaluation of compression factor versus accuracy trade-offs across a wide range (2.2x-1122x); and (4) validation on an ImageNet subset aligned with CIFAR-10 classes, demonstrating generalisability beyond the initial dataset. These extensive ablation studies confirm that IG-based knowledge distillation consistently outperforms conventional approaches across varied architectures and compression ratios. Our results establish this framework as a viable compression technique for real-world deployment on edge devices while maintaining competitive accuracy.
comment: 49 pages, 12 figures
☆ A General Framework for Off-Policy Learning with Partially-Observed Reward ICLR 2025
Off-policy learning (OPL) in contextual bandits aims to learn a decision-making policy that maximizes the target rewards by using only historical interaction data collected under previously developed policies. Unfortunately, when rewards are only partially observed, the effectiveness of OPL degrades severely. Well-known examples of such partial rewards include explicit ratings in content recommendations, conversion signals on e-commerce platforms that are partial due to delay, and the issue of censoring in medical problems. One possible solution to deal with such partial rewards is to use secondary rewards, such as dwelling time, clicks, and medical indicators, which are more densely observed. However, relying solely on such secondary rewards can also lead to poor policy learning since they may not align with the target reward. Thus, this work studies a new and general problem of OPL where the goal is to learn a policy that maximizes the expected target reward by leveraging densely observed secondary rewards as supplemental data. We then propose a new method called Hybrid Policy Optimization for Partially-Observed Reward (HyPeR), which effectively uses the secondary rewards in addition to the partially-observed target reward to achieve effective OPL despite the challenging scenario. We also discuss a case where we aim to optimize not only the expected target reward but also the expected secondary rewards to some extent; counter-intuitively, we will show that leveraging the two objectives is in fact advantageous also for the optimization of only the target reward. Along with statistical analysis of our proposed methods, empirical evaluations on both synthetic and real-world data show that HyPeR outperforms existing methods in various scenarios.
comment: 10 pages, 5 figures. Published as a conference paper at ICLR 2025
☆ sHGCN: Simplified hyperbolic graph convolutional neural networks
Hyperbolic geometry has emerged as a powerful tool for modeling complex, structured data, particularly where hierarchical or tree-like relationships are present. By enabling embeddings with lower distortion, hyperbolic neural networks offer promising alternatives to Euclidean-based models for capturing intricate data structures. Despite these advantages, they often face performance challenges, particularly in computational efficiency and tasks requiring high precision. In this work, we address these limitations by simplifying key operations within hyperbolic neural networks, achieving notable improvements in both runtime and performance. Our findings demonstrate that streamlined hyperbolic operations can lead to substantial gains in computational speed and predictive accuracy, making hyperbolic neural networks a more viable choice for a broader range of applications.
☆ MoORE: SVD-based Model MoE-ization for Conflict- and Oblivion-Resistant Multi-Task Adaptation
Adapting large-scale foundation models in multi-task scenarios often suffers from task conflict and oblivion. To mitigate such issues, we propose a novel ''model MoE-ization'' strategy that leads to a conflict- and oblivion-resistant multi-task adaptation method. Given a weight matrix of a pre-trained model, our method applies SVD to it and introduces a learnable router to adjust its singular values based on tasks and samples. Accordingly, the weight matrix becomes a Mixture of Orthogonal Rank-one Experts (MoORE), in which each expert corresponds to the outer product of a left singular vector and the corresponding right one. We can improve the model capacity by imposing a learnable orthogonal transform on the right singular vectors. Unlike low-rank adaptation (LoRA) and its MoE-driven variants, MoORE guarantees the experts' orthogonality and maintains the column space of the original weight matrix. These two properties make the adapted model resistant to the conflicts among the new tasks and the oblivion of its original tasks, respectively. Experiments on various datasets demonstrate that MoORE outperforms existing multi-task adaptation methods consistently, showing its superiority in terms of conflict- and oblivion-resistance. The code of the experiments is available at https://github.com/DaShenZi721/MoORE.
comment: 23 pages, 6 figures
☆ MoTE: Mixture of Ternary Experts for Memory-efficient Large Multimodal Models
Large multimodal Mixture-of-Experts (MoEs) effectively scale the model size to boost performance while maintaining fixed active parameters. However, previous works primarily utilized full-precision experts during sparse up-cycling. Despite they show superior performance on end tasks, the large amount of experts introduces higher memory footprint, which poses significant challenges for the deployment on edge devices. In this work, we propose MoTE, a scalable and memory-efficient approach to train Mixture-of-Ternary-Experts models from dense checkpoint. Instead of training fewer high-precision experts, we propose to train more low-precision experts during up-cycling. Specifically, we use the pre-trained FFN as a shared expert and train ternary routed experts with parameters in {-1, 0, 1}. Extensive experiments show that our approach has promising scaling trend along model size. MoTE achieves comparable performance to full-precision baseline MoE-LLaVA while offering lower memory footprint. Furthermore, our approach is compatible with post-training quantization methods and the advantage further amplifies when memory-constraint goes lower. Given the same amount of expert memory footprint of 3.4GB and combined with post-training quantization, MoTE outperforms MoE-LLaVA by a gain of 4.3% average accuracy on end tasks, demonstrating its effectiveness and potential for memory-constrained devices.
comment: Work in progress
☆ Unsupervised Skill Discovery through Skill Regions Differentiation
Unsupervised Reinforcement Learning (RL) aims to discover diverse behaviors that can accelerate the learning of downstream tasks. Previous methods typically focus on entropy-based exploration or empowerment-driven skill learning. However, entropy-based exploration struggles in large-scale state spaces (e.g., images), and empowerment-based methods with Mutual Information (MI) estimations have limitations in state exploration. To address these challenges, we propose a novel skill discovery objective that maximizes the deviation of the state density of one skill from the explored regions of other skills, encouraging inter-skill state diversity similar to the initial MI objective. For state-density estimation, we construct a novel conditional autoencoder with soft modularization for different skill policies in high-dimensional space. Meanwhile, to incentivize intra-skill exploration, we formulate an intrinsic reward based on the learned autoencoder that resembles count-based exploration in a compact latent space. Through extensive experiments in challenging state and image-based tasks, we find our method learns meaningful skills and achieves superior performance in various downstream tasks.
☆ RAGtifier: Evaluating RAG Generation Approaches of State-of-the-Art RAG Systems for the SIGIR LiveRAG Competition
Retrieval-Augmented Generation (RAG) enriches Large Language Models (LLMs) by combining their internal, parametric knowledge with external, non-parametric sources, with the goal of improving factual correctness and minimizing hallucinations. The LiveRAG 2025 challenge explores RAG solutions to maximize accuracy on DataMorgana's QA pairs, which are composed of single-hop and multi-hop questions. The challenge provides access to sparse OpenSearch and dense Pinecone indices of the Fineweb 10BT dataset. It restricts model use to LLMs with up to 10B parameters and final answer generation with Falcon-3-10B. A judge-LLM assesses the submitted answers along with human evaluators. By exploring distinct retriever combinations and RAG solutions under the challenge conditions, our final solution emerged using InstructRAG in combination with a Pinecone retriever and a BGE reranker. Our solution achieved a correctness score of 1.13 and a faithfulness score of 0.55, placing fourth in the SIGIR 2025 LiveRAG Challenge.
comment: 4 pages, 5 figures. Report for SIGIR 2025 LiveRAG Challenge
☆ Adaptive Reinforcement Learning for Unobservable Random Delays
In standard Reinforcement Learning (RL) settings, the interaction between the agent and the environment is typically modeled as a Markov Decision Process (MDP), which assumes that the agent observes the system state instantaneously, selects an action without delay, and executes it immediately. In real-world dynamic environments, such as cyber-physical systems, this assumption often breaks down due to delays in the interaction between the agent and the system. These delays can vary stochastically over time and are typically unobservable, meaning they are unknown when deciding on an action. Existing methods deal with this uncertainty conservatively by assuming a known fixed upper bound on the delay, even if the delay is often much lower. In this work, we introduce the interaction layer, a general framework that enables agents to adaptively and seamlessly handle unobservable and time-varying delays. Specifically, the agent generates a matrix of possible future actions to handle both unpredictable delays and lost action packets sent over networks. Building on this framework, we develop a model-based algorithm, Actor-Critic with Delay Adaptation (ACDA), which dynamically adjusts to delay patterns. Our method significantly outperforms state-of-the-art approaches across a wide range of locomotion benchmark environments.
☆ One Size Fits None: Rethinking Fairness in Medical AI ACL 2025
Machine learning (ML) models are increasingly used to support clinical decision-making. However, real-world medical datasets are often noisy, incomplete, and imbalanced, leading to performance disparities across patient subgroups. These differences raise fairness concerns, particularly when they reinforce existing disadvantages for marginalized groups. In this work, we analyze several medical prediction tasks and demonstrate how model performance varies with patient characteristics. While ML models may demonstrate good overall performance, we argue that subgroup-level evaluation is essential before integrating them into clinical workflows. By conducting a performance analysis at the subgroup level, differences can be clearly identified-allowing, on the one hand, for performance disparities to be considered in clinical practice, and on the other hand, for these insights to inform the responsible development of more effective models. Thereby, our work contributes to a practical discussion around the subgroup-sensitive development and deployment of medical ML models and the interconnectedness of fairness and transparency.
comment: Accepted at the 6th Workshop on Gender Bias in Natural Language Processing at ACL 2025
☆ HiLight: A Hierarchical Reinforcement Learning Framework with Global Adversarial Guidance for Large-Scale Traffic Signal Control
Efficient traffic signal control (TSC) is essential for mitigating urban congestion, yet existing reinforcement learning (RL) methods face challenges in scaling to large networks while maintaining global coordination. Centralized RL suffers from scalability issues, while decentralized approaches often lack unified objectives, resulting in limited network-level efficiency. In this paper, we propose HiLight, a hierarchical reinforcement learning framework with global adversarial guidance for large-scale TSC. HiLight consists of a high-level Meta-Policy, which partitions the traffic network into subregions and generates sub-goals using a Transformer-LSTM architecture, and a low-level Sub-Policy, which controls individual intersections with global awareness. To improve the alignment between global planning and local execution, we introduce an adversarial training mechanism, where the Meta-Policy generates challenging yet informative sub-goals, and the Sub-Policy learns to surpass these targets, leading to more effective coordination. We evaluate HiLight across both synthetic and real-world benchmarks, and additionally construct a large-scale Manhattan network with diverse traffic conditions, including peak transitions, adverse weather, and holiday surges. Experimental results show that HiLight exhibits significant advantages in large-scale scenarios and remains competitive across standard benchmarks of varying sizes.
☆ Enclosing Prototypical Variational Autoencoder for Explainable Out-of-Distribution Detection
Understanding the decision-making and trusting the reliability of Deep Machine Learning Models is crucial for adopting such methods to safety-relevant applications. We extend self-explainable Prototypical Variational models with autoencoder-based out-of-distribution (OOD) detection: A Variational Autoencoder is applied to learn a meaningful latent space which can be used for distance-based classification, likelihood estimation for OOD detection, and reconstruction. The In-Distribution (ID) region is defined by a Gaussian mixture distribution with learned prototypes representing the center of each mode. Furthermore, a novel restriction loss is introduced that promotes a compact ID region in the latent space without collapsing it into single points. The reconstructive capabilities of the Autoencoder ensure the explainability of the prototypes and the ID region of the classifier, further aiding the discrimination of OOD samples. Extensive evaluations on common OOD detection benchmarks as well as a large-scale dataset from a real-world railway application demonstrate the usefulness of the approach, outperforming previous methods.
comment: This preprint has not undergone peer review or any post-submission improvements or corrections. The Version of Record of this contribution is published in Computer Safety, Reliability and Security - SAFECOMP 2024 Workshops - DECSoS, SASSUR, TOASTS, and WAISE, and is available online at https://doi.org/10.1007/978-3-031-68738-9_29
☆ ResNets Are Deeper Than You Think NeurIPS 2025
Residual connections remain ubiquitous in modern neural network architectures nearly a decade after their introduction. Their widespread adoption is often credited to their dramatically improved trainability: residual networks train faster, more stably, and achieve higher accuracy than their feedforward counterparts. While numerous techniques, ranging from improved initialization to advanced learning rate schedules, have been proposed to close the performance gap between residual and feedforward networks, this gap has persisted. In this work, we propose an alternative explanation: residual networks do not merely reparameterize feedforward networks, but instead inhabit a different function space. We design a controlled post-training comparison to isolate generalization performance from trainability; we find that variable-depth architectures, similar to ResNets, consistently outperform fixed-depth networks, even when optimization is unlikely to make a difference. These results suggest that residual connections confer performance advantages beyond optimization, pointing instead to a deeper inductive bias aligned with the structure of natural data.
comment: NeurIPS 2025 Submission
☆ IntelliLung: Advancing Safe Mechanical Ventilation using Offline RL with Hybrid Actions and Clinically Aligned Rewards
Invasive mechanical ventilation (MV) is a life-sustaining therapy for critically ill patients in the intensive care unit (ICU). However, optimizing its settings remains a complex and error-prone process due to patient-specific variability. While Offline Reinforcement Learning (RL) shows promise for MV control, current stateof-the-art (SOTA) methods struggle with the hybrid (continuous and discrete) nature of MV actions. Discretizing the action space limits available actions due to exponential growth in combinations and introduces distribution shifts that can compromise safety. In this paper, we propose optimizations that build upon prior work in action space reduction to address the challenges of discrete action spaces. We also adapt SOTA offline RL algorithms (IQL and EDAC) to operate directly on hybrid action spaces, thereby avoiding the pitfalls of discretization. Additionally, we introduce a clinically grounded reward function based on ventilator-free days and physiological targets, which provides a more meaningful optimization objective compared to traditional sparse mortality-based rewards. Our findings demonstrate that AI-assisted MV optimization may enhance patient safety and enable individualized lung support, representing a significant advancement toward intelligent, data-driven critical care solutions.
comment: under review, PAIS track @ ECAI 2025
☆ Excessive Reasoning Attack on Reasoning LLMs
Recent reasoning large language models (LLMs), such as OpenAI o1 and DeepSeek-R1, exhibit strong performance on complex tasks through test-time inference scaling. However, prior studies have shown that these models often incur significant computational costs due to excessive reasoning, such as frequent switching between reasoning trajectories (e.g., underthinking) or redundant reasoning on simple questions (e.g., overthinking). In this work, we expose a novel threat: adversarial inputs can be crafted to exploit excessive reasoning behaviors and substantially increase computational overhead without compromising model utility. Therefore, we propose a novel loss framework consisting of three components: (1) Priority Cross-Entropy Loss, a modification of the standard cross-entropy objective that emphasizes key tokens by leveraging the autoregressive nature of LMs; (2) Excessive Reasoning Loss, which encourages the model to initiate additional reasoning paths during inference; and (3) Delayed Termination Loss, which is designed to extend the reasoning process and defer the generation of final outputs. We optimize and evaluate our attack for the GSM8K and ORCA datasets on DeepSeek-R1-Distill-LLaMA and DeepSeek-R1-Distill-Qwen. Empirical results demonstrate a 3x to 9x increase in reasoning length with comparable utility performance. Furthermore, our crafted adversarial inputs exhibit transferability, inducing computational overhead in o3-mini, o1-mini, DeepSeek-R1, and QWQ models.
☆ Adjustment for Confounding using Pre-Trained Representations ICML 2025
There is growing interest in extending average treatment effect (ATE) estimation to incorporate non-tabular data, such as images and text, which may act as sources of confounding. Neglecting these effects risks biased results and flawed scientific conclusions. However, incorporating non-tabular data necessitates sophisticated feature extractors, often in combination with ideas of transfer learning. In this work, we investigate how latent features from pre-trained neural networks can be leveraged to adjust for sources of confounding. We formalize conditions under which these latent features enable valid adjustment and statistical inference in ATE estimation, demonstrating results along the example of double machine learning. We discuss critical challenges inherent to latent feature learning and downstream parameter estimation arising from the high dimensionality and non-identifiability of representations. Common structural assumptions for obtaining fast convergence rates with additive or sparse linear models are shown to be unrealistic for latent features. We argue, however, that neural networks are largely insensitive to these issues. In particular, we show that neural networks can achieve fast convergence rates by adapting to intrinsic notions of sparsity and dimension of the learning problem.
comment: Accepted at ICML 2025
☆ FRIDU: Functional Map Refinement with Guided Image Diffusion
We propose a novel approach for refining a given correspondence map between two shapes. A correspondence map represented as a functional map, namely a change of basis matrix, can be additionally treated as a 2D image. With this perspective, we train an image diffusion model directly in the space of functional maps, enabling it to generate accurate maps conditioned on an inaccurate initial map. The training is done purely in the functional space, and thus is highly efficient. At inference time, we use the pointwise map corresponding to the current functional map as guidance during the diffusion process. The guidance can additionally encourage different functional map objectives, such as orthogonality and commutativity with the Laplace-Beltrami operator. We show that our approach is competitive with state-of-the-art methods of map refinement and that guided diffusion models provide a promising pathway to functional map processing.
comment: Accepted to SGP 2025 (Symposium on Geometry Processing)
☆ Fair for a few: Improving Fairness in Doubly Imbalanced Datasets
Fairness has been identified as an important aspect of Machine Learning and Artificial Intelligence solutions for decision making. Recent literature offers a variety of approaches for debiasing, however many of them fall short when the data collection is imbalanced. In this paper, we focus on a particular case, fairness in doubly imbalanced datasets, such that the data collection is imbalanced both for the label and the groups in the sensitive attribute. Firstly, we present an exploratory analysis to illustrate limitations in debiasing on a doubly imbalanced dataset. Then, a multi-criteria based solution is proposed for finding the most suitable sampling and distribution for label and sensitive attribute, in terms of fairness and classification accuracy
comment: 33 pages, 3 figures, submitted to AI Review
☆ SLEEPING-DISCO 9M: A large-scale pre-training dataset for generative music modeling
We present Sleeping-DISCO 9M, a large-scale pre-training dataset for music and song. To the best of our knowledge, there are no open-source high-quality dataset representing popular and well-known songs for generative music modeling tasks such as text-music, music-captioning, singing-voice synthesis, melody reconstruction and cross-model retrieval. Past contributions focused on isolated and constrained factors whose core perspective was to create synthetic or re-recorded music corpus (e.g. GTSinger, M4Singer) and arbitrarily large-scale audio datasets (e.g. DISCO-10M and LAIONDISCO-12M) had been another focus for the community. Unfortunately, adoption of these datasets has been below substantial in the generative music community as these datasets fail to reflect real-world music and its flavour. Our dataset changes this narrative and provides a dataset that is constructed using actual popular music and world-renowned artists.
☆ Equivariance Everywhere All At Once: A Recipe for Graph Foundation Models
Graph machine learning architectures are typically tailored to specific tasks on specific datasets, which hinders their broader applicability. This has led to a new quest in graph machine learning: how to build graph foundation models capable of generalizing across arbitrary graphs and features? In this work, we present a recipe for designing graph foundation models for node-level tasks from first principles. The key ingredient underpinning our study is a systematic investigation of the symmetries that a graph foundation model must respect. In a nutshell, we argue that label permutation-equivariance alongside feature permutation-invariance are necessary in addition to the common node permutation-equivariance on each local neighborhood of the graph. To this end, we first characterize the space of linear transformations that are equivariant to permutations of nodes and labels, and invariant to permutations of features. We then prove that the resulting network is a universal approximator on multisets that respect the aforementioned symmetries. Our recipe uses such layers on the multiset of features induced by the local neighborhood of the graph to obtain a class of graph foundation models for node property prediction. We validate our approach through extensive experiments on 29 real-world node classification datasets, demonstrating both strong zero-shot empirical performance and consistent improvement as the number of training graphs increases.
☆ Steering Robots with Inference-Time Interactions
Imitation learning has driven the development of generalist policies capable of autonomously solving multiple tasks. However, when a pretrained policy makes errors during deployment, there are limited mechanisms for users to correct its behavior. While collecting additional data for finetuning can address such issues, doing so for each downstream use case is inefficient at deployment. My research proposes an alternative: keeping pretrained policies frozen as a fixed skill repertoire while allowing user interactions to guide behavior generation toward user preferences at inference time. By making pretrained policies steerable, users can help correct policy errors when the model struggles to generalize-without needing to finetune the policy. Specifically, I propose (1) inference-time steering, which leverages user interactions to switch between discrete skills, and (2) task and motion imitation, which enables user interactions to edit continuous motions while satisfying task constraints defined by discrete symbolic plans. These frameworks correct misaligned policy predictions without requiring additional training, maximizing the utility of pretrained models while achieving inference-time user objectives.
comment: MIT Robotics PhD Thesis
☆ Improving LoRA with Variational Learning
Bayesian methods have recently been used to improve LoRA finetuning and, although they improve calibration, their effect on other metrics (such as accuracy) is marginal and can sometimes even be detrimental. Moreover, Bayesian methods also increase computational overheads and require additional tricks for them to work well. Here, we fix these issues by using a recently proposed variational algorithm called IVON. We show that IVON is easy to implement and has similar costs to AdamW, and yet it can also drastically improve many metrics by using a simple posterior pruning technique. We present extensive results on billion-scale LLMs (Llama and Qwen series) going way beyond the scale of existing applications of IVON. For example, we finetune a Llama-3.2-3B model on a set of commonsense reasoning tasks and improve accuracy over AdamW by 1.3% and reduce ECE by 5.4%, outperforming AdamW and other recent Bayesian methods like Laplace-LoRA and BLoB. Overall, our results show that variational learning with IVON can effectively improve LoRA finetuning.
comment: 16 pages, 4 figures
☆ Don't throw the baby out with the bathwater: How and why deep learning for ARC
The Abstraction and Reasoning Corpus (ARC-AGI) presents a formidable challenge for AI systems. Despite the typically low performance on ARC, the deep learning paradigm remains the most effective known strategy for generating skillful (state-of-the-art) neural networks (NN) across varied modalities and tasks in vision, language etc. The deep learning paradigm has proven to be able to train these skillful neural networks and learn the abstractions needed in these diverse domains. Our work doubles down on that and continues to leverage this paradigm by incorporating on-the-fly NN training at test time. We demonstrate that fully committing to deep learning's capacity to acquire novel abstractions yields state-of-the-art performance on ARC. Specifically, we treat both the neural network and the optimizer (rather than just a pre-trained network) as integral components of the inference process, fostering generalization to unseen tasks. Concretely, we propose a methodology for training on ARC, starting from pretrained LLMs, and enhancing their ARC reasoning. We also propose Test-Time Fine-Tuning (TTFT) and the Augment Inference Reverse-Augmentation and Vote (AIRV) as effective test-time techniques. We are the first to propose and show deep learning can be used effectively for ARC, showing boosts of up to 260% in accuracy with AIRV and a further 300% boost with TTFT. An early version of this approach secured first place in the 2023 ARCathon competition, while the final version achieved the current best score on the ARC private test-set (58%). Our findings highlight the key ingredients of a robust reasoning system in unfamiliar domains, underscoring the central mechanisms that improve broad perceptual reasoning.
comment: 13 pages, 6 figures
☆ NeuralPDR: Neural Differential Equations as surrogate models for Photodissociation Regions
Computational astrochemical models are essential for helping us interpret and understand the observations of different astrophysical environments. In the age of high-resolution telescopes such as JWST and ALMA, the substructure of many objects can be resolved, raising the need for astrochemical modeling at these smaller scales, meaning that the simulations of these objects need to include both the physics and chemistry to accurately model the observations. The computational cost of the simulations coupling both the three-dimensional hydrodynamics and chemistry is enormous, creating an opportunity for surrogate models that can effectively substitute the chemical solver. In this work we present surrogate models that can replace the original chemical code, namely Latent Augmented Neural Ordinary Differential Equations. We train these surrogate architectures on three datasets of increasing physical complexity, with the last dataset derived directly from a three-dimensional simulation of a molecular cloud using a Photodissociation Region (PDR) code, 3D-PDR. We show that these surrogate models can provide speedup and reproduce the original observable column density maps of the dataset. This enables the rapid inference of the chemistry (on the GPU), allowing for the faster statistical inference of observations or increasing the resolution in hydrodynamical simulations of astrophysical environments.
comment: Accepted for publication in Machine Learning: Science and Technology. Focus on ML and the Physical Sciences, Mach. Learn.: Sci. Technol (2025)
☆ Towards Robust Learning to Optimize with Theoretical Guarantees CVPR 2024
Learning to optimize (L2O) is an emerging technique to solve mathematical optimization problems with learning-based methods. Although with great success in many real-world scenarios such as wireless communications, computer networks, and electronic design, existing L2O works lack theoretical demonstration of their performance and robustness in out-of-distribution (OOD) scenarios. We address this gap by providing comprehensive proofs. First, we prove a sufficient condition for a robust L2O model with homogeneous convergence rates over all In-Distribution (InD) instances. We assume an L2O model achieves robustness for an InD scenario. Based on our proposed methodology of aligning OOD problems to InD problems, we also demonstrate that the L2O model's convergence rate in OOD scenarios will deteriorate by an equation of the L2O model's input features. Moreover, we propose an L2O model with a concise gradient-only feature construction and a novel gradient-based history modeling method. Numerical simulation demonstrates that our proposed model outperforms the state-of-the-art baseline in both InD and OOD scenarios and achieves up to 10 $\times$ convergence speedup. The code of our method can be found from https://github.com/NetX-lab/GoMathL2O-Official.
comment: Published in CVPR 2024, 55 pages, 17 figures, this version fixed some typo
☆ Knowledge Adaptation as Posterior Correction
Adaptation is the holy grail of intelligence, but even the best AI models (like GPT) lack the adaptivity of toddlers. So the question remains: how can machines adapt quickly? Despite a lot of progress on model adaptation to facilitate continual and federated learning, as well as model merging, editing, unlearning, etc., little is known about the mechanisms by which machines can naturally learn to adapt in a similar way as humans and animals. Here, we show that all such adaptation methods can be seen as different ways of `correcting' the approximate posteriors. More accurate posteriors lead to smaller corrections, which in turn imply quicker adaptation. The result is obtained by using a dual-perspective of the Bayesian Learning Rule of Khan and Rue (2023) where interference created during adaptation is characterized by the natural-gradient mismatch over the past data. We present many examples to demonstrate the use of posterior-correction as a natural mechanism for the machines to learn to adapt quickly.
☆ RL-Obfuscation: Can Language Models Learn to Evade Latent-Space Monitors?
Latent-space monitors aim to detect undesirable behaviours in large language models by leveraging internal model representations rather than relying solely on black-box outputs. These methods have shown promise in identifying behaviours such as deception and unsafe completions, but a critical open question remains: can LLMs learn to evade such monitors? To study this, we introduce RL-Obfuscation, in which LLMs are finetuned via reinforcement learning to bypass latent-space monitors while maintaining coherent generations. We apply RL-Obfuscation to LLMs ranging from 7B to 14B parameters and evaluate evasion success against a suite of monitors. We find that token-level latent-space monitors are highly vulnerable to this attack. More holistic monitors, such as max-pooling or attention-based probes, remain robust. Moreover, we show that adversarial policies trained to evade a single static monitor generalise to unseen monitors of the same type. Finally, we study how the policy learned by RL bypasses these monitors and find that the model can also learn to repurpose tokens to mean something different internally.
☆ Convergence-Privacy-Fairness Trade-Off in Personalized Federated Learning
Personalized federated learning (PFL), e.g., the renowned Ditto, strikes a balance between personalization and generalization by conducting federated learning (FL) to guide personalized learning (PL). While FL is unaffected by personalized model training, in Ditto, PL depends on the outcome of the FL. However, the clients' concern about their privacy and consequent perturbation of their local models can affect the convergence and (performance) fairness of PL. This paper presents PFL, called DP-Ditto, which is a non-trivial extension of Ditto under the protection of differential privacy (DP), and analyzes the trade-off among its privacy guarantee, model convergence, and performance distribution fairness. We also analyze the convergence upper bound of the personalized models under DP-Ditto and derive the optimal number of global aggregations given a privacy budget. Further, we analyze the performance fairness of the personalized models, and reveal the feasibility of optimizing DP-Ditto jointly for convergence and fairness. Experiments validate our analysis and demonstrate that DP-Ditto can surpass the DP-perturbed versions of the state-of-the-art PFL models, such as FedAMP, pFedMe, APPLE, and FedALA, by over 32.71% in fairness and 9.66% in accuracy.
☆ Causes in neuron diagrams, and testing causal reasoning in Large Language Models. A glimpse of the future of philosophy?
We propose a test for abstract causal reasoning in AI, based on scholarship in the philosophy of causation, in particular on the neuron diagrams popularized by D. Lewis. We illustrate the test on advanced Large Language Models (ChatGPT, DeepSeek and Gemini). Remarkably, these chatbots are already capable of correctly identifying causes in cases that are hotly debated in the literature. In order to assess the results of these LLMs and future dedicated AI, we propose a definition of cause in neuron diagrams with a wider validity than published hitherto, which challenges the widespread view that such a definition is elusive. We submit that these results are an illustration of how future philosophical research might evolve: as an interplay between human and artificial expertise.
comment: Accepted by Journal for General Philosophy of Science
☆ Can Large Language Models Improve Spectral Graph Neural Networks?
Spectral Graph Neural Networks (SGNNs) have attracted significant attention due to their ability to approximate arbitrary filters. They typically rely on supervision from downstream tasks to adaptively learn appropriate filters. However, under label-scarce conditions, SGNNs may learn suboptimal filters, leading to degraded performance. Meanwhile, the remarkable success of Large Language Models (LLMs) has inspired growing interest in exploring their potential within the GNN domain. This naturally raises an important question: \textit{Can LLMs help overcome the limitations of SGNNs and enhance their performance?} In this paper, we propose a novel approach that leverages LLMs to estimate the homophily of a given graph. The estimated homophily is then used to adaptively guide the design of polynomial spectral filters, thereby improving the expressiveness and adaptability of SGNNs across diverse graph structures. Specifically, we introduce a lightweight pipeline in which the LLM generates homophily-aware priors, which are injected into the filter coefficients to better align with the underlying graph topology. Extensive experiments on benchmark datasets demonstrate that our LLM-driven SGNN framework consistently outperforms existing baselines under both homophilic and heterophilic settings, with minimal computational and monetary overhead.
☆ TriGuard: Testing Model Safety with Attribution Entropy, Verification, and Drift
Deep neural networks often achieve high accuracy, but ensuring their reliability under adversarial and distributional shifts remains a pressing challenge. We propose TriGuard, a unified safety evaluation framework that combines (1) formal robustness verification, (2) attribution entropy to quantify saliency concentration, and (3) a novel Attribution Drift Score measuring explanation stability. TriGuard reveals critical mismatches between model accuracy and interpretability: verified models can still exhibit unstable reasoning, and attribution-based signals provide complementary safety insights beyond adversarial accuracy. Extensive experiments across three datasets and five architectures show how TriGuard uncovers subtle fragilities in neural reasoning. We further demonstrate that entropy-regularized training reduces explanation drift without sacrificing performance. TriGuard advances the frontier in robust, interpretable model evaluation.
comment: 12 pages, 6 tables, 6 figures
☆ DiffusionBlocks: Blockwise Training for Generative Models via Score-Based Diffusion
Training large neural networks with end-to-end backpropagation creates significant memory bottlenecks, limiting accessibility to state-of-the-art AI research. We propose $\textit{DiffusionBlocks}$, a novel training framework that interprets neural network blocks as performing denoising operations in a continuous-time diffusion process. By partitioning the network into independently trainable blocks and optimizing noise level assignments based on equal cumulative probability mass, our approach achieves significant memory efficiency while maintaining competitive performance compared to traditional backpropagation in generative tasks. Experiments on image generation and language modeling tasks demonstrate memory reduction proportional to the number of blocks while achieving superior performance. DiffusionBlocks provides a promising pathway for democratizing access to large-scale neural network training with limited computational resources.
comment: To appear at TTODLer-FM Workshop of the 42nd International Conference on Machine Learning
☆ AMPLIFY: Actionless Motion Priors for Robot Learning from Videos
Action-labeled data for robotics is scarce and expensive, limiting the generalization of learned policies. In contrast, vast amounts of action-free video data are readily available, but translating these observations into effective policies remains a challenge. We introduce AMPLIFY, a novel framework that leverages large-scale video data by encoding visual dynamics into compact, discrete motion tokens derived from keypoint trajectories. Our modular approach separates visual motion prediction from action inference, decoupling the challenges of learning what motion defines a task from how robots can perform it. We train a forward dynamics model on abundant action-free videos and an inverse dynamics model on a limited set of action-labeled examples, allowing for independent scaling. Extensive evaluations demonstrate that the learned dynamics are both accurate, achieving up to 3.7x better MSE and over 2.5x better pixel prediction accuracy compared to prior approaches, and broadly useful. In downstream policy learning, our dynamics predictions enable a 1.2-2.2x improvement in low-data regimes, a 1.4x average improvement by learning from action-free human videos, and the first generalization to LIBERO tasks from zero in-distribution action data. Beyond robotic control, we find the dynamics learned by AMPLIFY to be a versatile latent world model, enhancing video prediction quality. Our results present a novel paradigm leveraging heterogeneous data sources to build efficient, generalizable world models. More information can be found at https://amplify-robotics.github.io/.
☆ A Variational Information Theoretic Approach to Out-of-Distribution Detection
We present a theory for the construction of out-of-distribution (OOD) detection features for neural networks. We introduce random features for OOD through a novel information-theoretic loss functional consisting of two terms, the first based on the KL divergence separates resulting in-distribution (ID) and OOD feature distributions and the second term is the Information Bottleneck, which favors compressed features that retain the OOD information. We formulate a variational procedure to optimize the loss and obtain OOD features. Based on assumptions on OOD distributions, one can recover properties of existing OOD features, i.e., shaping functions. Furthermore, we show that our theory can predict a new shaping function that out-performs existing ones on OOD benchmarks. Our theory provides a general framework for constructing a variety of new features with clear explainability.
☆ Hard Contacts with Soft Gradients: Refining Differentiable Simulators for Learning and Control
Contact forces pose a major challenge for gradient-based optimization of robot dynamics as they introduce jumps in the system's velocities. Penalty-based simulators, such as MuJoCo, simplify gradient computation by softening the contact forces. However, realistically simulating hard contacts requires very stiff contact settings, which leads to incorrect gradients when using automatic differentiation. On the other hand, using non-stiff settings strongly increases the sim-to-real gap. We analyze the contact computation of penalty-based simulators to identify the causes of gradient errors. Then, we propose DiffMJX, which combines adaptive integration with MuJoCo XLA, to notably improve gradient quality in the presence of hard contacts. Finally, we address a key limitation of contact gradients: they vanish when objects do not touch. To overcome this, we introduce Contacts From Distance (CFD), a mechanism that enables the simulator to generate informative contact gradients even before objects are in contact. To preserve physical realism, we apply CFD only in the backward pass using a straight-through trick, allowing us to compute useful gradients without modifying the forward simulation.
☆ Structured and Informed Probabilistic Modeling with the Thermodynamic Kolmogorov-Arnold Model
We adapt the Kolmogorov-Arnold Representation Theorem to generative modeling by reinterpreting its inner functions as a Markov Kernel between probability spaces via inverse transform sampling. We present a generative model that is interpretable, easy to design, and efficient. Our approach couples a Kolmogorov-Arnold Network generator with independent energy-based priors, trained via Maximum Likelihood. Inverse sampling enables fast inference, while prior knowledge can be incorporated before training to better align priors with posteriors, thereby improving learning efficiency and sample quality. The learned prior is also recoverable and visualizable post-training, offering an empirical Bayes perspective. To address inflexibility and mitigate prior-posterior mismatch, we introduce scalable extensions based on mixture distributions and Langevin Monte Carlo methods, admitting a trade-off between flexibility and training efficiency. Our contributions connect classical representation theorems with modern probabilistic modeling, while balancing training stability, inference speed, and the quality and diversity of generations.
☆ Light Aircraft Game : Basic Implementation and training results analysis
This paper investigates multi-agent reinforcement learning (MARL) in a partially observable, cooperative-competitive combat environment known as LAG. We describe the environment's setup, including agent actions, hierarchical controls, and reward design across different combat modes such as No Weapon and ShootMissile. Two representative algorithms are evaluated: HAPPO, an on-policy hierarchical variant of PPO, and HASAC, an off-policy method based on soft actor-critic. We analyze their training stability, reward progression, and inter-agent coordination capabilities. Experimental results show that HASAC performs well in simpler coordination tasks without weapons, while HAPPO demonstrates stronger adaptability in more dynamic and expressive scenarios involving missile combat. These findings provide insights into the trade-offs between on-policy and off-policy methods in multi-agent settings.
☆ Common Benchmarks Undervalue the Generalization Power of Programmatic Policies
Algorithms for learning programmatic representations for sequential decision-making problems are often evaluated on out-of-distribution (OOD) problems, with the common conclusion that programmatic policies generalize better than neural policies on OOD problems. In this position paper, we argue that commonly used benchmarks undervalue the generalization capabilities of programmatic representations. We analyze the experiments of four papers from the literature and show that neural policies, which were shown not to generalize, can generalize as effectively as programmatic policies on OOD problems. This is achieved with simple changes in the neural policies training pipeline. Namely, we show that simpler neural architectures with the same type of sparse observation used with programmatic policies can help attain OOD generalization. Another modification we have shown to be effective is the use of reward functions that allow for safer policies (e.g., agents that drive slowly can generalize better). Also, we argue for creating benchmark problems highlighting concepts needed for OOD generalization that may challenge neural policies but align with programmatic representations, such as tasks requiring algorithmic constructs like stacks.
comment: 17 pages, 5 figures
☆ Leveraging Predictive Equivalence in Decision Trees ICML 2025
Decision trees are widely used for interpretable machine learning due to their clearly structured reasoning process. However, this structure belies a challenge we refer to as predictive equivalence: a given tree's decision boundary can be represented by many different decision trees. The presence of models with identical decision boundaries but different evaluation processes makes model selection challenging. The models will have different variable importance and behave differently in the presence of missing values, but most optimization procedures will arbitrarily choose one such model to return. We present a boolean logical representation of decision trees that does not exhibit predictive equivalence and is faithful to the underlying decision boundary. We apply our representation to several downstream machine learning tasks. Using our representation, we show that decision trees are surprisingly robust to test-time missingness of feature values; we address predictive equivalence's impact on quantifying variable importance; and we present an algorithm to optimize the cost of reaching predictions.
comment: Accepted to ICML 2025
☆ Less is More: Undertraining Experts Improves Model Upcycling
Modern deep learning is increasingly characterized by the use of open-weight foundation models that can be fine-tuned on specialized datasets. This has led to a proliferation of expert models and adapters, often shared via platforms like HuggingFace and AdapterHub. To leverage these resources, numerous model upcycling methods have emerged, enabling the reuse of fine-tuned models in multi-task systems. A natural pipeline has thus formed to harness the benefits of transfer learning and amortize sunk training costs: models are pre-trained on general data, fine-tuned on specific tasks, and then upcycled into more general-purpose systems. A prevailing assumption is that improvements at one stage of this pipeline propagate downstream, leading to gains at subsequent steps. In this work, we challenge that assumption by examining how expert fine-tuning affects model upcycling. We show that long fine-tuning of experts that optimizes for their individual performance leads to degraded merging performance, both for fully fine-tuned and LoRA-adapted models, and to worse downstream results when LoRA adapters are upcycled into MoE layers. We trace this degradation to the memorization of a small set of difficult examples that dominate late fine-tuning steps and are subsequently forgotten during merging. Finally, we demonstrate that a task-dependent aggressive early stopping strategy can significantly improve upcycling performance.
☆ Sampling from Your Language Model One Byte at a Time
Tokenization is used almost universally by modern language models, enabling efficient text representation using multi-byte or multi-character tokens. However, prior work has shown that tokenization can introduce distortion into the model's generations. For example, users are often advised not to end their prompts with a space because it prevents the model from including the space as part of the next token. This Prompt Boundary Problem (PBP) also arises in languages such as Chinese and in code generation, where tokens often do not line up with syntactic boundaries. Additionally mismatching tokenizers often hinder model composition and interoperability. For example, it is not possible to directly ensemble models with different tokenizers due to their mismatching vocabularies. To address these issues, we present an inference-time method to convert any autoregressive LM with a BPE tokenizer into a character-level or byte-level LM, without changing its generative distribution at the text level. Our method efficient solves the PBP and is also able to unify the vocabularies of language models with different tokenizers, allowing one to ensemble LMs with different tokenizers at inference time as well as transfer the post-training from one model to another using proxy-tuning. We demonstrate in experiments that the ensemble and proxy-tuned models outperform their constituents on downstream evals.
comment: 23 pages, 8 figures
☆ CLGNN: A Contrastive Learning-based GNN Model for Betweenness Centrality Prediction on Temporal Graphs
Temporal Betweenness Centrality (TBC) measures how often a node appears on optimal temporal paths, reflecting its importance in temporal networks. However, exact computation is highly expensive, and real-world TBC distributions are extremely imbalanced. The severe imbalance leads learning-based models to overfit to zero-centrality nodes, resulting in inaccurate TBC predictions and failure to identify truly central nodes. Existing graph neural network (GNN) methods either fail to handle such imbalance or ignore temporal dependencies altogether. To address these issues, we propose a scalable and inductive contrastive learning-based GNN (CLGNN) for accurate and efficient TBC prediction. CLGNN builds an instance graph to preserve path validity and temporal order, then encodes structural and temporal features using dual aggregation, i.e., mean and edge-to-node multi-head attention mechanisms, enhanced by temporal path count and time encodings. A stability-based clustering-guided contrastive module (KContrastNet) is introduced to separate high-, median-, and low-centrality nodes in representation space, mitigating class imbalance, while a regression module (ValueNet) estimates TBC values. CLGNN also supports multiple optimal path definitions to accommodate diverse temporal semantics. Extensive experiments demonstrate the effectiveness and efficiency of CLGNN across diverse benchmarks. CLGNN achieves up to a 663.7~$\times$ speedup compared to state-of-the-art exact TBC computation methods. It outperforms leading static GNN baselines with up to 31.4~$\times$ lower MAE and 16.7~$\times$ higher Spearman correlation, and surpasses state-of-the-art temporal GNNs with up to 5.7~$\times$ lower MAE and 3.9~$\times$ higher Spearman correlation.
☆ Evaluating Loss Functions for Graph Neural Networks: Towards Pretraining and Generalization
Graph Neural Networks (GNNs) became useful for learning on non-Euclidean data. However, their best performance depends on choosing the right model architecture and the training objective, also called the loss function. Researchers have studied these parts separately, but a large-scale evaluation has not looked at how GNN models and many loss functions work together across different tasks. To fix this, we ran a thorough study - it included seven well-known GNN architectures. We also used a large group of 30 single plus mixed loss functions. The study looked at both inductive and transductive settings. Our evaluation spanned three distinct real-world datasets, assessing performance in both inductive and transductive settings using 21 comprehensive evaluation metrics. From these extensive results (detailed in supplementary information 1 \& 2), we meticulously analyzed the top ten model-loss combinations for each metric based on their average rank. Our findings reveal that, especially for the inductive case: 1) Hybrid loss functions generally yield superior and more robust performance compared to single loss functions, indicating the benefit of multi-objective optimization. 2) The GIN architecture always showed the highest-level average performance, especially with Cross-Entropy loss. 3) Although some combinations had overall lower average ranks, models such as GAT, particularly with certain hybrid losses, demonstrated incredible specialized strengths, maximizing the most top-1 results among the individual metrics, emphasizing subtle strengths for particular task demands. 4) On the other hand, the MPNN architecture typically lagged behind the scenarios it was tested against.
comment: ACM single column 633 pages
☆ SKOLR: Structured Koopman Operator Linear RNN for Time-Series Forecasting
Koopman operator theory provides a framework for nonlinear dynamical system analysis and time-series forecasting by mapping dynamics to a space of real-valued measurement functions, enabling a linear operator representation. Despite the advantage of linearity, the operator is generally infinite-dimensional. Therefore, the objective is to learn measurement functions that yield a tractable finite-dimensional Koopman operator approximation. In this work, we establish a connection between Koopman operator approximation and linear Recurrent Neural Networks (RNNs), which have recently demonstrated remarkable success in sequence modeling. We show that by considering an extended state consisting of lagged observations, we can establish an equivalence between a structured Koopman operator and linear RNN updates. Building on this connection, we present SKOLR, which integrates a learnable spectral decomposition of the input signal with a multilayer perceptron (MLP) as the measurement functions and implements a structured Koopman operator via a highly parallel linear RNN stack. Numerical experiments on various forecasting benchmarks and dynamical systems show that this streamlined, Koopman-theory-based design delivers exceptional performance.
☆ Essential-Web v1.0: 24T tokens of organized web data
Data plays the most prominent role in how language models acquire skills and knowledge. The lack of massive, well-organized pre-training datasets results in costly and inaccessible data pipelines. We present Essential-Web v1.0, a 24-trillion-token dataset in which every document is annotated with a twelve-category taxonomy covering topic, format, content complexity, and quality. Taxonomy labels are produced by EAI-Distill-0.5b, a fine-tuned 0.5b-parameter model that achieves an annotator agreement within 3% of Qwen2.5-32B-Instruct. With nothing more than SQL-style filters, we obtain competitive web-curated datasets in math (-8.0% relative to SOTA), web code (+14.3%), STEM (+24.5%) and medical (+8.6%). Essential-Web v1.0 is available on HuggingFace: https://huggingface.co/datasets/EssentialAI/essential-web-v1.0
☆ Universal Rates of ERM for Agnostic Learning
The universal learning framework has been developed to obtain guarantees on the learning rates that hold for any fixed distribution, which can be much faster than the ones uniformly hold over all the distributions. Given that the Empirical Risk Minimization (ERM) principle being fundamental in the PAC theory and ubiquitous in practical machine learning, the recent work of arXiv:2412.02810 studied the universal rates of ERM for binary classification under the realizable setting. However, the assumption of realizability is too restrictive to hold in practice. Indeed, the majority of the literature on universal learning has focused on the realizable case, leaving the non-realizable case barely explored. In this paper, we consider the problem of universal learning by ERM for binary classification under the agnostic setting, where the ''learning curve" reflects the decay of the excess risk as the sample size increases. We explore the possibilities of agnostic universal rates and reveal a compact trichotomy: there are three possible agnostic universal rates of ERM, being either $e^{-n}$, $o(n^{-1/2})$, or arbitrarily slow. We provide a complete characterization of which concept classes fall into each of these categories. Moreover, we also establish complete characterizations for the target-dependent universal rates as well as the Bayes-dependent universal rates.
comment: Accepted for presentation at the Conference on Learning Theory (COLT) 2025
☆ Toward a Graph Foundation Model: Pre-Training Transformers With Random Walks
A foundation model like GPT elicits many emergent abilities, owing to the pre-training with broad inclusion of data and the use of the powerful Transformer architecture. While foundation models in natural languages are prevalent, can we build similar models for graphs? This paper describes an approach toward a graph foundation model that is pre-trained with diverse graph datasets by adapting the Transformer backbone. A central challenge toward this end is how a sequence model encodes graphs of varying sizes and from different domains. We propose representing a node as multiple random walks, such that the Transformer can extract node representations from sequences, which in turn form edge and graph representations. We develop a novel context prediction loss for these random walks and theoretically analyze their expressive power in distinguishing neighborhoods and graphs. We also demonstrate the pre-training of our model and its adaptation to downstream tasks, showcasing its potential as a foundation for processing and reasoning with graph-structured data.
☆ Transformers Learn Faster with Semantic Focus
Various forms of sparse attention have been explored to mitigate the quadratic computational and memory cost of the attention mechanism in transformers. We study sparse transformers not through a lens of efficiency but rather in terms of learnability and generalization. Empirically studying a range of attention mechanisms, we find that input-dependent sparse attention models appear to converge faster and generalize better than standard attention models, while input-agnostic sparse attention models show no such benefits -- a phenomenon that is robust across architectural and optimization hyperparameter choices. This can be interpreted as demonstrating that concentrating a model's "semantic focus" with respect to the tokens currently being considered (in the form of input-dependent sparse attention) accelerates learning. We develop a theoretical characterization of the conditions that explain this behavior. We establish a connection between the stability of the standard softmax and the loss function's Lipschitz properties, then show how sparsity affects the stability of the softmax and the subsequent convergence and generalization guarantees resulting from the attention mechanism. This allows us to theoretically establish that input-agnostic sparse attention does not provide any benefits. We also characterize conditions when semantic focus (input-dependent sparse attention) can provide improved guarantees, and we validate that these conditions are in fact met in our empirical evaluations.
☆ Multi-Scale Finetuning for Encoder-based Time Series Foundation Models
Time series foundation models (TSFMs) demonstrate impressive zero-shot performance for time series forecasting. However, an important yet underexplored challenge is how to effectively finetune TSFMs on specific downstream tasks. While naive finetuning can yield performance gains, we argue that it falls short of fully leveraging TSFMs' capabilities, often resulting in overfitting and suboptimal performance. Given the diverse temporal patterns across sampling scales and the inherent multi-scale forecasting capabilities of TSFMs, we adopt a causal perspective to analyze finetuning process, through which we highlight the critical importance of explicitly modeling multiple scales and reveal the shortcomings of naive approaches. Focusing on \textit{encoder-based} TSFMs, we propose \textbf{M}ulti\textbf{\textsc{s}}cale \textbf{\textsc{f}}ine\textbf{\textsc{t}}uning (\textbf{MSFT}), a simple yet general framework that explicitly integrates multi-scale modeling into the finetuning process. Experimental results on three different backbones (\moirai, \moment\ and \units) demonstrate that TSFMs finetuned with MSFT not only outperform naive and typical parameter efficient finetuning methods but also surpass state-of-the-art deep learning methods.
☆ Comprehensive Verilog Design Problems: A Next-Generation Benchmark Dataset for Evaluating Large Language Models and Agents on RTL Design and Verification
We present the Comprehensive Verilog Design Problems (CVDP) benchmark, a new dataset and infrastructure to advance LLM and agent research in hardware design and verification. CVDP includes 783 problems across 13 task categories, covering RTL generation, verification, debugging, specification alignment, and technical Q&A authored by experienced hardware engineers. Problems are offered in both non-agentic and agentic formats. The benchmark introduces more realistic and challenging contexts than prior work, with state-of-the-art models achieving no more than 34% pass@1 on code generation. Agentic tasks$\unicode{x2013}$especially those involving RTL reuse and verification$\unicode{x2013}$are particularly difficult. Evaluation uses open-source tools and model scoring infrastructure, with comprehension tasks assessed via BLEU and LLM-based judging. CVDP reveals substantial gaps in current model capabilities, underscoring the need for continued research toward robust, real-world hardware design automation.
comment: 16 pages with appendix
☆ Optimal Embedding Learning Rate in LLMs: The Effect of Vocabulary Size
Pretraining large language models is a costly process. To make this process more efficient, several methods have been proposed to optimize model architecture/parametrization and hardware use. On the parametrization side, $\mu P$ (Maximal Update Parametrization) parametrizes model weights and learning rate (LR) in a way that makes hyperparameters (HPs) transferable with width (embedding dimension): HPs can be tuned for a small model and used for larger models without additional tuning. While $\mu$P showed impressive results in practice, recent empirical studies have reported conflicting observations when applied to LLMs. One limitation of the theory behind $\mu$P is the fact that input dimension (vocabulary size in LLMs) is considered fixed when taking the width to infinity. This is unrealistic since vocabulary size is generally much larger than width in practice. In this work, we provide a theoretical analysis of the effect of vocabulary size on training dynamics, and subsequently show that as vocabulary size increases, the training dynamics \emph{interpolate between the $\mu$P regime and another regime that we call Large Vocab (LV) Regime}, where optimal scaling rules are different from those predicted by $\mu$P. Our analysis reveals that in the LV regime, the optimal embedding LR to hidden LR ratio should roughly scale as $\Theta(\sqrt{width})$, surprisingly close to the empirical findings previously reported in the literature, and different from the $\Theta(width)$ ratio predicted by $\mu$P. We conduct several experiments to validate our theory, and pretrain a 1B model from scratch to show the benefit of our suggested scaling rule for the embedding LR.
comment: TD,LR: How to set the learning rate for emebdding layer in LLMs?
☆ SFT-GO: Supervised Fine-Tuning with Group Optimization for Large Language Models
Supervised fine-tuning (SFT) has become an essential step in tailoring large language models (LLMs) to align with human expectations and specific downstream tasks. However, existing SFT methods typically treat each training instance as a uniform sequence, giving equal importance to all tokens regardless of their relevance. This overlooks the fact that only a subset of tokens often contains critical, task-specific information. To address this limitation, we introduce Supervised Fine-Tuning with Group Optimization (SFT-GO), a novel approach that treats groups of tokens differently based on their importance.SFT-GO groups tokens in each sample based on their importance values and optimizes the LLM using a weighted combination of the worst-group loss and the standard cross-entropy loss. This mechanism adaptively emphasizes the most challenging token groups and guides the model to better handle different group distributions, thereby improving overall learning dynamics. We provide a theoretical analysis of SFT-GO's convergence rate, demonstrating its efficiency. Empirically, we apply SFT-GO with three different token grouping strategies and show that models trained with SFT-GO consistently outperform baseline approaches across popular LLM benchmarks. These improvements hold across various datasets and base models, demonstrating the robustness and the effectiveness of our method.
☆ Data analysis using discrete cubical homology
We present a new tool for data analysis: persistence discrete homology, which is well-suited to analyze filtrations of graphs. In particular, we provide a novel way of representing high-dimensional data as a filtration of graphs using pairwise correlations. We discuss several applications of these tools, e.g., in weather and financial data, comparing them to the standard methods used in the respective fields.
comment: 17 pages; comments welcome
☆ Stable CDE Autoencoders with Acuity Regularization for Offline Reinforcement Learning in Sepsis Treatment IJCAI2025
Effective reinforcement learning (RL) for sepsis treatment depends on learning stable, clinically meaningful state representations from irregular ICU time series. While previous works have explored representation learning for this task, the critical challenge of training instability in sequential representations and its detrimental impact on policy performance has been overlooked. This work demonstrates that Controlled Differential Equations (CDE) state representation can achieve strong RL policies when two key factors are met: (1) ensuring training stability through early stopping or stabilization methods, and (2) enforcing acuity-aware representations by correlation regularization with clinical scores (SOFA, SAPS-II, OASIS). Experiments on the MIMIC-III sepsis cohort reveal that stable CDE autoencoder produces representations strongly correlated with acuity scores and enables RL policies with superior performance (WIS return $> 0.9$). In contrast, unstable CDE representation leads to degraded representations and policy failure (WIS return $\sim$ 0). Visualizations of the latent space show that stable CDEs not only separate survivor and non-survivor trajectories but also reveal clear acuity score gradients, whereas unstable training fails to capture either pattern. These findings highlight practical guidelines for using CDEs to encode irregular medical time series in clinical RL, emphasizing the need for training stability in sequential representation learning.
comment: Accepted to IJCAI2025 AI4TS
☆ Private Continual Counting of Unbounded Streams
We study the problem of differentially private continual counting in the unbounded setting where the input size $n$ is not known in advance. Current state-of-the-art algorithms based on optimal instantiations of the matrix mechanism cannot be directly applied here because their privacy guarantees only hold when key parameters are tuned to $n$. Using the common `doubling trick' avoids knowledge of $n$ but leads to suboptimal and non-smooth error. We solve this problem by introducing novel matrix factorizations based on logarithmic perturbations of the function $\frac{1}{\sqrt{1-z}}$ studied in prior works, which may be of independent interest. The resulting algorithm has smooth error, and for any $\alpha > 0$ and $t\leq n$ it is able to privately estimate the sum of the first $t$ data points with $O(\log^{2+2\alpha}(t))$ variance. It requires $O(t)$ space and amortized $O(\log t)$ time per round, compared to $O(\log(n)\log(t))$ variance, $O(n)$ space and $O(n \log n)$ pre-processing time for the nearly-optimal bounded-input algorithm of Henzinger et al. (SODA 2023). Empirically, we find that our algorithm's performance is also comparable to theirs in absolute terms: our variance is less than $1.5\times$ theirs for $t$ as large as $2^{24}$.
comment: 12 pages, 2 figures
☆ GCN-Driven Reinforcement Learning for Probabilistic Real-Time Guarantees in Industrial URLLC
Ensuring packet-level communication quality is vital for ultra-reliable, low-latency communications (URLLC) in large-scale industrial wireless networks. We enhance the Local Deadline Partition (LDP) algorithm by introducing a Graph Convolutional Network (GCN) integrated with a Deep Q-Network (DQN) reinforcement learning framework for improved interference coordination in multi-cell, multi-channel networks. Unlike LDP's static priorities, our approach dynamically learns link priorities based on real-time traffic demand, network topology, remaining transmission opportunities, and interference patterns. The GCN captures spatial dependencies, while the DQN enables adaptive scheduling decisions through reward-guided exploration. Simulation results show that our GCN-DQN model achieves mean SINR improvements of 179.6\%, 197.4\%, and 175.2\% over LDP across three network configurations. Additionally, the GCN-DQN model demonstrates mean SINR improvements of 31.5\%, 53.0\%, and 84.7\% over our previous CNN-based approach across the same configurations. These results underscore the effectiveness of our GCN-DQN model in addressing complex URLLC requirements with minimal overhead and superior network performance.
comment: This paper has been submitted to IEEE MASS 2025 on May 7, 2025
☆ Memory Tokens: Large Language Models Can Generate Reversible Sentence Embeddings ACL 2025
In this work, we observe an interesting phenomenon: it is possible to generate reversible sentence embeddings that allow an LLM to reconstruct the original text exactly, without modifying the model's weights. This is achieved by introducing a special memory token, whose embedding is optimized through training on a fixed sequence. When prompted with this embedding, the model reconstructs the fixed sequence exactly. We evaluate this phenomenon across English and Spanish datasets, sequences of up to approximately 240 tokens, and model scales ranging from 100M to 8B parameters. Notably, Llama 3.1 8B successfully reconstructs all tested sequences. Our findings highlight an interesting capability of LLMs and suggest potential applications in memory-based retrieval, compression, and controlled text generation.
comment: This paper will be presented at The First Workshop on Large Language Model Memorization (L2M2) at ACL 2025
☆ A Comparative Evaluation of Deep Learning Models for Speech Enhancement in Real-World Noisy Environments
Speech enhancement, particularly denoising, is vital in improving the intelligibility and quality of speech signals for real-world applications, especially in noisy environments. While prior research has introduced various deep learning models for this purpose, many struggle to balance noise suppression, perceptual quality, and speaker-specific feature preservation, leaving a critical research gap in their comparative performance evaluation. This study benchmarks three state-of-the-art models Wave-U-Net, CMGAN, and U-Net, on diverse datasets such as SpEAR, VPQAD, and Clarkson datasets. These models were chosen due to their relevance in the literature and code accessibility. The evaluation reveals that U-Net achieves high noise suppression with SNR improvements of +71.96% on SpEAR, +64.83% on VPQAD, and +364.2% on the Clarkson dataset. CMGAN outperforms in perceptual quality, attaining the highest PESQ scores of 4.04 on SpEAR and 1.46 on VPQAD, making it well-suited for applications prioritizing natural and intelligible speech. Wave-U-Net balances these attributes with improvements in speaker-specific feature retention, evidenced by VeriSpeak score gains of +10.84% on SpEAR and +27.38% on VPQAD. This research indicates how advanced methods can optimize trade-offs between noise suppression, perceptual quality, and speaker recognition. The findings may contribute to advancing voice biometrics, forensic audio analysis, telecommunication, and speaker verification in challenging acoustic conditions.
☆ Hypothesis Testing for Quantifying LLM-Human Misalignment in Multiple Choice Settings
As Large Language Models (LLMs) increasingly appear in social science research (e.g., economics and marketing), it becomes crucial to assess how well these models replicate human behavior. In this work, using hypothesis testing, we present a quantitative framework to assess the misalignment between LLM-simulated and actual human behaviors in multiple-choice survey settings. This framework allows us to determine in a principled way whether a specific language model can effectively simulate human opinions, decision-making, and general behaviors represented through multiple-choice options. We applied this framework to a popular language model for simulating people's opinions in various public surveys and found that this model is ill-suited for simulating the tested sub-populations (e.g., across different races, ages, and incomes) for contentious questions. This raises questions about the alignment of this language model with the tested populations, highlighting the need for new practices in using LLMs for social science studies beyond naive simulations of human subjects.
☆ Fair Algorithms with Probing for Multi-Agent Multi-Armed Bandits
We propose a multi-agent multi-armed bandit (MA-MAB) framework aimed at ensuring fair outcomes across agents while maximizing overall system performance. A key challenge in this setting is decision-making under limited information about arm rewards. To address this, we introduce a novel probing framework that strategically gathers information about selected arms before allocation. In the offline setting, where reward distributions are known, we leverage submodular properties to design a greedy probing algorithm with a provable performance bound. For the more complex online setting, we develop an algorithm that achieves sublinear regret while maintaining fairness. Extensive experiments on synthetic and real-world datasets show that our approach outperforms baseline methods, achieving better fairness and efficiency.
☆ CNN-Enabled Scheduling for Probabilistic Real-Time Guarantees in Industrial URLLC
Ensuring packet-level communication quality is vital for ultra-reliable, low-latency communications (URLLC) in large-scale industrial wireless networks. We enhance the Local Deadline Partition (LDP) algorithm by introducing a CNN-based dynamic priority prediction mechanism for improved interference coordination in multi-cell, multi-channel networks. Unlike LDP's static priorities, our approach uses a Convolutional Neural Network and graph coloring to adaptively assign link priorities based on real-time traffic, transmission opportunities, and network conditions. Assuming that first training phase is performed offline, our approach introduced minimal overhead, while enabling more efficient resource allocation, boosting network capacity, SINR, and schedulability. Simulation results show SINR gains of up to 113\%, 94\%, and 49\% over LDP across three network configurations, highlighting its effectiveness for complex URLLC scenarios.
comment: This paper has been submitted to IEEEGLOBE2025 on April 15, 2025
☆ Early Prediction of Multiple Sclerosis Disability Progression via Multimodal Foundation Model Benchmarks IJCAI 2025
Early multiple sclerosis (MS) disability progression prediction is challenging due to disease heterogeneity. This work predicts 48- and 72-week disability using sparse baseline clinical data and 12 weeks of daily digital Floodlight data from the CONSONANCE clinical trial. We employed state-of-the-art tabular and time-series foundation models (FMs), a custom multimodal attention-based transformer, and machine learning methods. Despite the difficulty of early prediction (AUROC 0.63), integrating digital data via advanced models improved performance over clinical data alone. A transformer model using unimodal embeddings from the Moment FM yielded the best result, but our multimodal transformer consistently outperformed its unimodal counterpart, confirming the advantages of combining clinical with digital data. Our findings demonstrate the promise of FMs and multimodal approaches to extract predictive signals from complex and diverse clinical and digital life sciences data (e.g., imaging, omics), enabling more accurate prognostics for MS and potentially other complex diseases.
comment: Accepted to IJCAI 2025
☆ Extending Spike-Timing Dependent Plasticity to Learning Synaptic Delays
Synaptic delays play a crucial role in biological neuronal networks, where their modulation has been observed in mammalian learning processes. In the realm of neuromorphic computing, although spiking neural networks (SNNs) aim to emulate biology more closely than traditional artificial neural networks do, synaptic delays are rarely incorporated into their simulation. We introduce a novel learning rule for simultaneously learning synaptic connection strengths and delays, by extending spike-timing dependent plasticity (STDP), a Hebbian method commonly used for learning synaptic weights. We validate our approach by extending a widely-used SNN model for classification trained with unsupervised learning. Then we demonstrate the effectiveness of our new method by comparing it against another existing methods for co-learning synaptic weights and delays as well as against STDP without synaptic delays. Results demonstrate that our proposed method consistently achieves superior performance across a variety of test scenarios. Furthermore, our experimental results yield insight into the interplay between synaptic efficacy and delay.
comment: Repository containing the source code used to generate the results is available at: https://github.com/mdominijanni/dsstdp-results
☆ ODD: Overlap-aware Estimation of Model Performance under Distribution Shift
Reliable and accurate estimation of the error of an ML model in unseen test domains is an important problem for safe intelligent systems. Prior work uses disagreement discrepancy (DIS^2) to derive practical error bounds under distribution shifts. It optimizes for a maximally disagreeing classifier on the target domain to bound the error of a given source classifier. Although this approach offers a reliable and competitively accurate estimate of the target error, we identify a problem in this approach which causes the disagreement discrepancy objective to compete in the overlapping region between source and target domains. With an intuitive assumption that the target disagreement should be no more than the source disagreement in the overlapping region due to high enough support, we devise Overlap-aware Disagreement Discrepancy (ODD). Maximizing ODD only requires disagreement in the non-overlapping target domain, removing the competition. Our ODD-based bound uses domain-classifiers to estimate domain-overlap and better predicts target performance than DIS^2. We conduct experiments on a wide array of benchmarks to show that our method improves the overall performance-estimation error while remaining valid and reliable. Our code and results are available on GitHub.
comment: Accepted to the 41st Conference on Uncertainty in Artificial Intelligence, 2025
☆ NeuroMoE: A Transformer-Based Mixture-of-Experts Framework for Multi-Modal Neurological Disorder Classification
The integration of multi-modal Magnetic Resonance Imaging (MRI) and clinical data holds great promise for enhancing the diagnosis of neurological disorders (NDs) in real-world clinical settings. Deep Learning (DL) has recently emerged as a powerful tool for extracting meaningful patterns from medical data to aid in diagnosis. However, existing DL approaches struggle to effectively leverage multi-modal MRI and clinical data, leading to suboptimal performance. To address this challenge, we utilize a unique, proprietary multi-modal clinical dataset curated for ND research. Based on this dataset, we propose a novel transformer-based Mixture-of-Experts (MoE) framework for ND classification, leveraging multiple MRI modalities-anatomical (aMRI), Diffusion Tensor Imaging (DTI), and functional (fMRI)-alongside clinical assessments. Our framework employs transformer encoders to capture spatial relationships within volumetric MRI data while utilizing modality-specific experts for targeted feature extraction. A gating mechanism with adaptive fusion dynamically integrates expert outputs, ensuring optimal predictive performance. Comprehensive experiments and comparisons with multiple baselines demonstrate that our multi-modal approach significantly enhances diagnostic accuracy, particularly in distinguishing overlapping disease states. Our framework achieves a validation accuracy of 82.47\%, outperforming baseline methods by over 10\%, highlighting its potential to improve ND diagnosis by applying multi-modal learning to real-world clinical data.
comment: Accepted at the 47th Annual International Conference of the IEEE Engineering in Medicine and Biology Society
☆ Revisiting Reinforcement Learning for LLM Reasoning from A Cross-Domain Perspective
Reinforcement learning (RL) has emerged as a promising approach to improve large language model (LLM) reasoning, yet most open efforts focus narrowly on math and code, limiting our understanding of its broader applicability to general reasoning. A key challenge lies in the lack of reliable, scalable RL reward signals across diverse reasoning domains. We introduce Guru, a curated RL reasoning corpus of 92K verifiable examples spanning six reasoning domains--Math, Code, Science, Logic, Simulation, and Tabular--each built through domain-specific reward design, deduplication, and filtering to ensure reliability and effectiveness for RL training. Based on Guru, we systematically revisit established findings in RL for LLM reasoning and observe significant variation across domains. For example, while prior work suggests that RL primarily elicits existing knowledge from pretrained models, our results reveal a more nuanced pattern: domains frequently seen during pretraining (Math, Code, Science) easily benefit from cross-domain RL training, while domains with limited pretraining exposure (Logic, Simulation, and Tabular) require in-domain training to achieve meaningful performance gains, suggesting that RL is likely to facilitate genuine skill acquisition. Finally, we present Guru-7B and Guru-32B, two models that achieve state-of-the-art performance among open models RL-trained with publicly available data, outperforming best baselines by 7.9% and 6.7% on our 17-task evaluation suite across six reasoning domains. We also show that our models effectively improve the Pass@k performance of their base models, particularly on complex tasks less likely to appear in pretraining data. We release data, models, training and evaluation code to facilitate general-purpose reasoning at: https://github.com/LLM360/Reasoning360
comment: 38 pages, 9 figures. Under review
☆ POCO: Scalable Neural Forecasting through Population Conditioning
Predicting future neural activity is a core challenge in modeling brain dynamics, with applications ranging from scientific investigation to closed-loop neurotechnology. While recent models of population activity emphasize interpretability and behavioral decoding, neural forecasting-particularly across multi-session, spontaneous recordings-remains underexplored. We introduce POCO, a unified forecasting model that combines a lightweight univariate forecaster with a population-level encoder to capture both neuron-specific and brain-wide dynamics. Trained across five calcium imaging datasets spanning zebrafish, mice, and C. elegans, POCO achieves state-of-the-art accuracy at cellular resolution in spontaneous behaviors. After pre-training, POCO rapidly adapts to new recordings with minimal fine-tuning. Notably, POCO's learned unit embeddings recover biologically meaningful structure-such as brain region clustering-without any anatomical labels. Our comprehensive analysis reveals several key factors influencing performance, including context length, session diversity, and preprocessing. Together, these results position POCO as a scalable and adaptable approach for cross-session neural forecasting and offer actionable insights for future model design. By enabling accurate, generalizable forecasting models of neural dynamics across individuals and species, POCO lays the groundwork for adaptive neurotechnologies and large-scale efforts for neural foundation models.
☆ An Observation on Lloyd's k-Means Algorithm in High Dimensions
Clustering and estimating cluster means are core problems in statistics and machine learning, with k-means and Expectation Maximization (EM) being two widely used algorithms. In this work, we provide a theoretical explanation for the failure of k-means in high-dimensional settings with high noise and limited sample sizes, using a simple Gaussian Mixture Model (GMM). We identify regimes where, with high probability, almost every partition of the data becomes a fixed point of the k-means algorithm. This study is motivated by challenges in the analysis of more complex cases, such as masked GMMs, and those arising from applications in Cryo-Electron Microscopy.
comment: 27 pages, 3 figures, 4 supplemental figures
☆ Flat Channels to Infinity in Neural Loss Landscapes
The loss landscapes of neural networks contain minima and saddle points that may be connected in flat regions or appear in isolation. We identify and characterize a special structure in the loss landscape: channels along which the loss decreases extremely slowly, while the output weights of at least two neurons, $a_i$ and $a_j$, diverge to $\pm$infinity, and their input weight vectors, $\mathbf{w_i}$ and $\mathbf{w_j}$, become equal to each other. At convergence, the two neurons implement a gated linear unit: $a_i\sigma(\mathbf{w_i} \cdot \mathbf{x}) + a_j\sigma(\mathbf{w_j} \cdot \mathbf{x}) \rightarrow \sigma(\mathbf{w} \cdot \mathbf{x}) + (\mathbf{v} \cdot \mathbf{x}) \sigma'(\mathbf{w} \cdot \mathbf{x})$. Geometrically, these channels to infinity are asymptotically parallel to symmetry-induced lines of critical points. Gradient flow solvers, and related optimization methods like SGD or ADAM, reach the channels with high probability in diverse regression settings, but without careful inspection they look like flat local minima with finite parameter values. Our characterization provides a comprehensive picture of these quasi-flat regions in terms of gradient dynamics, geometry, and functional interpretation. The emergence of gated linear units at the end of the channels highlights a surprising aspect of the computational capabilities of fully connected layers.
☆ Double Machine Learning for Conditional Moment Restrictions: IV regression, Proximal Causal Learning and Beyond
Solving conditional moment restrictions (CMRs) is a key problem considered in statistics, causal inference, and econometrics, where the aim is to solve for a function of interest that satisfies some conditional moment equalities. Specifically, many techniques for causal inference, such as instrumental variable (IV) regression and proximal causal learning (PCL), are CMR problems. Most CMR estimators use a two-stage approach, where the first-stage estimation is directly plugged into the second stage to estimate the function of interest. However, naively plugging in the first-stage estimator can cause heavy bias in the second stage. This is particularly the case for recently proposed CMR estimators that use deep neural network (DNN) estimators for both stages, where regularisation and overfitting bias is present. We propose DML-CMR, a two-stage CMR estimator that provides an unbiased estimate with fast convergence rate guarantees. We derive a novel learning objective to reduce bias and develop the DML-CMR algorithm following the double/debiased machine learning (DML) framework. We show that our DML-CMR estimator can achieve the minimax optimal convergence rate of $O(N^{-1/2})$ under parameterisation and mild regularity conditions, where $N$ is the sample size. We apply DML-CMR to a range of problems using DNN estimators, including IV regression and proximal causal learning on real-world datasets, demonstrating state-of-the-art performance against existing CMR estimators and algorithms tailored to those problems.
☆ Determinação Automática de Limiar de Detecção de Ataques em Redes de Computadores Utilizando Autoencoders
Currently, digital security mechanisms like Anomaly Detection Systems using Autoencoders (AE) show great potential for bypassing problems intrinsic to the data, such as data imbalance. Because AE use a non-trivial and nonstandardized separation threshold to classify the extracted reconstruction error, the definition of this threshold directly impacts the performance of the detection process. Thus, this work proposes the automatic definition of this threshold using some machine learning algorithms. For this, three algorithms were evaluated: the K-Nearst Neighbors, the K-Means and the Support Vector Machine.
comment: This work was accepted at SBrT 2022 (Brazilian Symposium on Telecommunications and Signal Processing), though it was not included in the official proceedings. in Portuguese language
☆ FedOne: Query-Efficient Federated Learning for Black-box Discrete Prompt Learning
Black-Box Discrete Prompt Learning is a prompt-tuning method that optimizes discrete prompts without accessing model parameters or gradients, making the prompt tuning on a cloud-based Large Language Model (LLM) feasible. Adapting federated learning to BDPL could further enhance prompt tuning performance by leveraging data from diverse sources. However, all previous research on federated black-box prompt tuning had neglected the substantial query cost associated with the cloud-based LLM service. To address this gap, we conducted a theoretical analysis of query efficiency within the context of federated black-box prompt tuning. Our findings revealed that degrading FedAvg to activate only one client per round, a strategy we called \textit{FedOne}, enabled optimal query efficiency in federated black-box prompt learning. Building on this insight, we proposed the FedOne framework, a federated black-box discrete prompt learning method designed to maximize query efficiency when interacting with cloud-based LLMs. We conducted numerical experiments on various aspects of our framework, demonstrating a significant improvement in query efficiency, which aligns with our theoretical results.
comment: Published in Proceedings of the 42nd International Conference on Machine Learning
☆ Digital twin for virtual sensing of ferry quays via a Gaussian Process Latent Force Model
Ferry quays experience rapid deterioration due to their exposure to harsh maritime environments and ferry impacts. Vibration-based structural health monitoring offers a valuable approach to assessing structural integrity and understanding the structural implications of these impacts. However, practical limitations often restrict sensor placement at critical locations. Consequently, virtual sensing techniques become essential for establishing a Digital Twin and estimating the structural response. This study investigates the application of the Gaussian Process Latent Force Model (GPLFM) for virtual sensing on the Magerholm ferry quay, combining in-operation experimental data collected during a ferry impact with a detailed physics-based model. The proposed Physics-Encoded Machine Learning model integrates a reduced-order structural model with a data-driven GPLFM representing the unknown impact forces via their modal contributions. Significant challenges are addressed for the development of the Digital Twin of the ferry quay, including unknown impact characteristics (location, direction, intensity), time-varying boundary conditions, and sparse sensor configurations. Results show that the GPLFM provides accurate acceleration response estimates at most locations, even under simplifying modeling assumptions such as linear time-invariant behavior during the impact phase. Lower accuracy was observed at locations in the impact zone. A numerical study was conducted to explore an optimal real-world sensor placement strategy using a Backward Sequential Sensor Placement approach. Sensitivity analyses were conducted to examine the influence of sensor types, sampling frequencies, and incorrectly assumed damping ratios. The results suggest that the GP latent forces can help accommodate modeling and measurement uncertainties, maintaining acceptable estimation accuracy across scenarios.
comment: 14 Figures, 1 Table
☆ Forecasting the spatiotemporal evolution of fluid-induced microearthquakes with deep learning
Microearthquakes (MEQs) generated by subsurface fluid injection record the evolving stress state and permeability of reservoirs. Forecasting their full spatiotemporal evolution is therefore critical for applications such as enhanced geothermal systems (EGS), CO$_2$ sequestration and other geo-engineering applications. We present a transformer-based deep learning model that ingests hydraulic stimulation history and prior MEQ observations to forecast four key quantities: cumulative MEQ count, cumulative logarithmic seismic moment, and the 50th- and 95th-percentile extents ($P_{50}, P_{95}$) of the MEQ cloud. Applied to the EGS Collab Experiment 1 dataset, the model achieves $R^2 >0.98$ for the 1-second forecast horizon and $R^2 >0.88$ for the 15-second forecast horizon across all targets, and supplies uncertainty estimates through a learned standard deviation term. These accurate, uncertainty-quantified forecasts enable real-time inference of fracture propagation and permeability evolution, demonstrating the strong potential of deep-learning approaches to improve seismic-risk assessment and guide mitigation strategies in future fluid-injection operations.
☆ FORTRESS: Frontier Risk Evaluation for National Security and Public Safety NeurIPS
The rapid advancement of large language models (LLMs) introduces dual-use capabilities that could both threaten and bolster national security and public safety (NSPS). Models implement safeguards to protect against potential misuse relevant to NSPS and allow for benign users to receive helpful information. However, current benchmarks often fail to test safeguard robustness to potential NSPS risks in an objective, robust way. We introduce FORTRESS: 500 expert-crafted adversarial prompts with instance-based rubrics of 4-7 binary questions for automated evaluation across 3 domains (unclassified information only): Chemical, Biological, Radiological, Nuclear and Explosive (CBRNE), Political Violence & Terrorism, and Criminal & Financial Illicit Activities, with 10 total subcategories across these domains. Each prompt-rubric pair has a corresponding benign version to test for model over-refusals. This evaluation of frontier LLMs' safeguard robustness reveals varying trade-offs between potential risks and model usefulness: Claude-3.5-Sonnet demonstrates a low average risk score (ARS) (14.09 out of 100) but the highest over-refusal score (ORS) (21.8 out of 100), while Gemini 2.5 Pro shows low over-refusal (1.4) but a high average potential risk (66.29). Deepseek-R1 has the highest ARS at 78.05, but the lowest ORS at only 0.06. Models such as o1 display a more even trade-off between potential risks and over-refusals (with an ARS of 21.69 and ORS of 5.2). To provide policymakers and researchers with a clear understanding of models' potential risks, we publicly release FORTRESS at https://huggingface.co/datasets/ScaleAI/fortress_public. We also maintain a private set for evaluation.
comment: 12 pages, 7 figures, submitted to NeurIPS
☆ Q2SAR: A Quantum Multiple Kernel Learning Approach for Drug Discovery
Quantitative Structure-Activity Relationship (QSAR) modeling is a cornerstone of computational drug discovery. This research demonstrates the successful application of a Quantum Multiple Kernel Learning (QMKL) framework to enhance QSAR classification, showing a notable performance improvement over classical methods. We apply this methodology to a dataset for identifying DYRK1A kinase inhibitors. The workflow involves converting SMILES representations into numerical molecular descriptors, reducing dimensionality via Principal Component Analysis (PCA), and employing a Support Vector Machine (SVM) trained on an optimized combination of multiple quantum and classical kernels. By benchmarking the QMKL-SVM against a classical Gradient Boosting model, we show that the quantum-enhanced approach achieves a superior AUC score, highlighting its potential to provide a quantum advantage in challenging cheminformatics classification tasks.
☆ Frequency-Calibrated Membership Inference Attacks on Medical Image Diffusion Models
The increasing use of diffusion models for image generation, especially in sensitive areas like medical imaging, has raised significant privacy concerns. Membership Inference Attack (MIA) has emerged as a potential approach to determine if a specific image was used to train a diffusion model, thus quantifying privacy risks. Existing MIA methods often rely on diffusion reconstruction errors, where member images are expected to have lower reconstruction errors than non-member images. However, applying these methods directly to medical images faces challenges. Reconstruction error is influenced by inherent image difficulty, and diffusion models struggle with high-frequency detail reconstruction. To address these issues, we propose a Frequency-Calibrated Reconstruction Error (FCRE) method for MIAs on medical image diffusion models. By focusing on reconstruction errors within a specific mid-frequency range and excluding both high-frequency (difficult to reconstruct) and low-frequency (less informative) regions, our frequency-selective approach mitigates the confounding factor of inherent image difficulty. Specifically, we analyze the reverse diffusion process, obtain the mid-frequency reconstruction error, and compute the structural similarity index score between the reconstructed and original images. Membership is determined by comparing this score to a threshold. Experiments on several medical image datasets demonstrate that our FCRE method outperforms existing MIA methods.
☆ Recursive Variational Autoencoders for 3D Blood Vessel Generative Modeling
Anatomical trees play an important role in clinical diagnosis and treatment planning. Yet, accurately representing these structures poses significant challenges owing to their intricate and varied topology and geometry. Most existing methods to synthesize vasculature are rule based, and despite providing some degree of control and variation in the structures produced, they fail to capture the diversity and complexity of actual anatomical data. We developed a Recursive variational Neural Network (RvNN) that fully exploits the hierarchical organization of the vessel and learns a low-dimensional manifold encoding branch connectivity along with geometry features describing the target surface. After training, the RvNN latent space can be sampled to generate new vessel geometries. By leveraging the power of generative neural networks, we generate 3D models of blood vessels that are both accurate and diverse, which is crucial for medical and surgical training, hemodynamic simulations, and many other purposes. These results closely resemble real data, achieving high similarity in vessel radii, length, and tortuosity across various datasets, including those with aneurysms. To the best of our knowledge, this work is the first to utilize this technique for synthesizing blood vessels.
☆ Winter Soldier: Backdooring Language Models at Pre-Training with Indirect Data Poisoning
The pre-training of large language models (LLMs) relies on massive text datasets sourced from diverse and difficult-to-curate origins. Although membership inference attacks and hidden canaries have been explored to trace data usage, such methods rely on memorization of training data, which LM providers try to limit. In this work, we demonstrate that indirect data poisoning (where the targeted behavior is absent from training data) is not only feasible but also allow to effectively protect a dataset and trace its use. Using gradient-based optimization prompt-tuning, we make a model learn arbitrary secret sequences: secret responses to secret prompts that are absent from the training corpus. We validate our approach on language models pre-trained from scratch and show that less than 0.005% of poisoned tokens are sufficient to covertly make a LM learn a secret and detect it with extremely high confidence ($p < 10^{-55}$) with a theoretically certifiable scheme. Crucially, this occurs without performance degradation (on LM benchmarks) and despite secrets never appearing in the training set.
comment: 18 pages, 12 figures
☆ CrEst: Credibility Estimation for Contexts in LLMs via Weak Supervision
The integration of contextual information has significantly enhanced the performance of large language models (LLMs) on knowledge-intensive tasks. However, existing methods often overlook a critical challenge: the credibility of context documents can vary widely, potentially leading to the propagation of unreliable information. In this paper, we introduce CrEst, a novel weakly supervised framework for assessing the credibility of context documents during LLM inference--without requiring manual annotations. Our approach is grounded in the insight that credible documents tend to exhibit higher semantic coherence with other credible documents, enabling automated credibility estimation through inter-document agreement. To incorporate credibility into LLM inference, we propose two integration strategies: a black-box approach for models without access to internal weights or activations, and a white-box method that directly modifies attention mechanisms. Extensive experiments across three model architectures and five datasets demonstrate that CrEst consistently outperforms strong baselines, achieving up to a 26.86% improvement in accuracy and a 3.49% increase in F1 score. Further analysis shows that CrEst maintains robust performance even under high-noise conditions.
☆ Event-Driven Online Vertical Federated Learning ICLR 2025
Online learning is more adaptable to real-world scenarios in Vertical Federated Learning (VFL) compared to offline learning. However, integrating online learning into VFL presents challenges due to the unique nature of VFL, where clients possess non-intersecting feature sets for the same sample. In real-world scenarios, the clients may not receive data streaming for the disjoint features for the same entity synchronously. Instead, the data are typically generated by an \emph{event} relevant to only a subset of clients. We are the first to identify these challenges in online VFL, which have been overlooked by previous research. To address these challenges, we proposed an event-driven online VFL framework. In this framework, only a subset of clients were activated during each event, while the remaining clients passively collaborated in the learning process. Furthermore, we incorporated \emph{dynamic local regret (DLR)} into VFL to address the challenges posed by online learning problems with non-convex models within a non-stationary environment. We conducted a comprehensive regret analysis of our proposed framework, specifically examining the DLR under non-convex conditions with event-driven online VFL. Extensive experiments demonstrated that our proposed framework was more stable than the existing online VFL framework under non-stationary data conditions while also significantly reducing communication and computation costs.
comment: Published as a conference paper at ICLR 2025
☆ Optimal Convergence Rates of Deep Neural Network Classifiers
In this paper, we study the binary classification problem on $[0,1]^d$ under the Tsybakov noise condition (with exponent $s \in [0,\infty]$) and the compositional assumption. This assumption requires the conditional class probability function of the data distribution to be the composition of $q+1$ vector-valued multivariate functions, where each component function is either a maximum value function or a H\"{o}lder-$\beta$ smooth function that depends only on $d_*$ of its input variables. Notably, $d_*$ can be significantly smaller than the input dimension $d$. We prove that, under these conditions, the optimal convergence rate for the excess 0-1 risk of classifiers is $$ \left( \frac{1}{n} \right)^{\frac{\beta\cdot(1\wedge\beta)^q}{{\frac{d_*}{s+1}+(1+\frac{1}{s+1})\cdot\beta\cdot(1\wedge\beta)^q}}}\;\;\;, $$ which is independent of the input dimension $d$. Additionally, we demonstrate that ReLU deep neural networks (DNNs) trained with hinge loss can achieve this optimal convergence rate up to a logarithmic factor. This result provides theoretical justification for the excellent performance of ReLU DNNs in practical classification tasks, particularly in high-dimensional settings. The technique used to establish these results extends the oracle inequality presented in our previous work. The generalized approach is of independent interest.
☆ Generalized Reference Kernel With Negative Samples For Support Vector One-class Classification
This paper focuses on small-scale one-class classification with some negative samples available. We propose Generalized Reference Kernel with Negative Samples (GRKneg) for One-class Support Vector Machine (OC-SVM). We study different ways to select/generate the reference vectors and recommend an approach for the problem at hand. It is worth noting that the proposed method does not use any labels in the model optimization but uses the original OC-SVM implementation. Only the kernel used in the process is improved using the negative data. We compare our method with the standard OC-SVM and with the binary Support Vector Machine (SVM) using different amounts of negative samples. Our approach consistently outperforms the standard OC-SVM using Radial Basis Function kernel. When there are plenty of negative samples, the binary SVM outperforms the one-class approaches as expected, but we show that for the lowest numbers of negative samples the proposed approach clearly outperforms the binary SVM.
comment: Accepted to EUSIPCO2025
☆ OS-Harm: A Benchmark for Measuring Safety of Computer Use Agents
Computer use agents are LLM-based agents that can directly interact with a graphical user interface, by processing screenshots or accessibility trees. While these systems are gaining popularity, their safety has been largely overlooked, despite the fact that evaluating and understanding their potential for harmful behavior is essential for widespread adoption. To address this gap, we introduce OS-Harm, a new benchmark for measuring safety of computer use agents. OS-Harm is built on top of the OSWorld environment and aims to test models across three categories of harm: deliberate user misuse, prompt injection attacks, and model misbehavior. To cover these cases, we create 150 tasks that span several types of safety violations (harassment, copyright infringement, disinformation, data exfiltration, etc.) and require the agent to interact with a variety of OS applications (email client, code editor, browser, etc.). Moreover, we propose an automated judge to evaluate both accuracy and safety of agents that achieves high agreement with human annotations (0.76 and 0.79 F1 score). We evaluate computer use agents based on a range of frontier models - such as o4-mini, Claude 3.7 Sonnet, Gemini 2.5 Pro - and provide insights into their safety. In particular, all models tend to directly comply with many deliberate misuse queries, are relatively vulnerable to static prompt injections, and occasionally perform unsafe actions. The OS-Harm benchmark is available at https://github.com/tml-epfl/os-harm.
♻ ☆ Chain-of-Thought Reasoning In The Wild Is Not Always Faithful ICLR 25
Chain-of-Thought (CoT) reasoning has significantly advanced state-of-the-art AI capabilities. However, recent studies have shown that CoT reasoning is not always faithful when models face an explicit bias in their prompts, i.e., the CoT can give an incorrect picture of how models arrive at conclusions. We go further and show that unfaithful CoT can also occur on realistic prompts with no artificial bias. We find that when separately presented with the questions "Is X bigger than Y?" and "Is Y bigger than X?", models sometimes produce superficially coherent arguments to justify systematically answering Yes to both questions or No to both questions, despite such responses being logically contradictory. We show preliminary evidence that this is due to models' implicit biases towards Yes or No, thus labeling this unfaithfulness as Implicit Post-Hoc Rationalization. Our results reveal that several production models exhibit surprisingly high rates of post-hoc rationalization in our settings: GPT-4o-mini (13%) and Haiku 3.5 (7%). While frontier models are more faithful, especially thinking ones, none are entirely faithful: Gemini 2.5 Flash (2.17%), ChatGPT-4o (0.49%), DeepSeek R1 (0.37%), Gemini 2.5 Pro (0.14%), and Sonnet 3.7 with thinking (0.04%). We also investigate Unfaithful Illogical Shortcuts, where models use subtly illogical reasoning to try to make a speculative answer to hard maths problems seem rigorously proven. Our findings raise challenges for strategies for detecting undesired behavior in LLMs via the chain of thought.
comment: Accepted to the Reasoning and Planning for LLMs Workshop (ICLR 25), 10 main paper pages, 39 appendix pages
♻ ☆ Reinforcement Learning with Segment Feedback
Standard reinforcement learning (RL) assumes that an agent can observe a reward for each state-action pair. However, in practical applications, it is often difficult and costly to collect a reward for each state-action pair. While there have been several works considering RL with trajectory feedback, it is unclear if trajectory feedback is inefficient for learning when trajectories are long. In this work, we consider a model named RL with segment feedback, which offers a general paradigm filling the gap between per-state-action feedback and trajectory feedback. In this model, we consider an episodic Markov decision process (MDP), where each episode is divided into $m$ segments, and the agent observes reward feedback only at the end of each segment. Under this model, we study two popular feedback settings: binary feedback and sum feedback, where the agent observes a binary outcome and a reward sum according to the underlying reward function, respectively. To investigate the impact of the number of segments $m$ on learning performance, we design efficient algorithms and establish regret upper and lower bounds for both feedback settings. Our theoretical and experimental results show that: under binary feedback, increasing the number of segments $m$ decreases the regret at an exponential rate; in contrast, surprisingly, under sum feedback, increasing $m$ does not reduce the regret significantly.
♻ ☆ Towards Better Open-Ended Text Generation: A Multicriteria Evaluation Framework ACL 2025
Open-ended text generation has become a prominent task in natural language processing due to the rise of powerful (large) language models. However, evaluating the quality of these models and the employed decoding strategies remains challenging due to trade-offs among widely used metrics such as coherence, diversity, and perplexity. This paper addresses the specific problem of multicriteria evaluation for open-ended text generation, proposing novel methods for both relative and absolute rankings of decoding methods. Specifically, we employ benchmarking approaches based on partial orderings and present a new summary metric to balance existing automatic indicators, providing a more holistic evaluation of text generation quality. Our experiments demonstrate that the proposed approaches offer a robust way to compare decoding strategies and serve as valuable tools to guide model selection for open-ended text generation tasks. We suggest future directions for improving evaluation methodologies in text generation and make our code, datasets, and models publicly available.
comment: Accepted at the $GEM^2$ Workshop (co-located with ACL 2025)
♻ ☆ Deep Learning Model Acceleration and Optimization Strategies for Real-Time Recommendation Systems
With the rapid growth of Internet services, recommendation systems play a central role in delivering personalized content. Faced with massive user requests and complex model architectures, the key challenge for real-time recommendation systems is how to reduce inference latency and increase system throughput without sacrificing recommendation quality. This paper addresses the high computational cost and resource bottlenecks of deep learning models in real-time settings by proposing a combined set of modeling- and system-level acceleration and optimization strategies. At the model level, we dramatically reduce parameter counts and compute requirements through lightweight network design, structured pruning, and weight quantization. At the system level, we integrate multiple heterogeneous compute platforms and high-performance inference libraries, and we design elastic inference scheduling and load-balancing mechanisms based on real-time load characteristics. Experiments show that, while maintaining the original recommendation accuracy, our methods cut latency to less than 30% of the baseline and more than double system throughput, offering a practical solution for deploying large-scale online recommendation services.
♻ ☆ Improving Group Robustness on Spurious Correlation via Evidential Alignment KDD 2025
Deep neural networks often learn and rely on spurious correlations, i.e., superficial associations between non-causal features and the targets. For instance, an image classifier may identify camels based on the desert backgrounds. While it can yield high overall accuracy during training, it degrades generalization on more diverse scenarios where such correlations do not hold. This problem poses significant challenges for out-of-distribution robustness and trustworthiness. Existing methods typically mitigate this issue by using external group annotations or auxiliary deterministic models to learn unbiased representations. However, such information is costly to obtain, and deterministic models may fail to capture the full spectrum of biases learned by the models. To address these limitations, we propose Evidential Alignment, a novel framework that leverages uncertainty quantification to understand the behavior of the biased models without requiring group annotations. By quantifying the evidence of model prediction with second-order risk minimization and calibrating the biased models with the proposed evidential calibration technique, Evidential Alignment identifies and suppresses spurious correlations while preserving core features. We theoretically justify the effectiveness of our method as capable of learning the patterns of biased models and debiasing the model without requiring any spurious correlation annotations. Empirical results demonstrate that our method significantly improves group robustness across diverse architectures and data modalities, providing a scalable and principled solution to spurious correlations.
comment: Accepted at KDD 2025 (Research Track)
♻ ☆ When are dynamical systems learned from time series data statistically accurate?
Conventional notions of generalization often fail to describe the ability of learned models to capture meaningful information from dynamical data. A neural network that learns complex dynamics with a small test error may still fail to reproduce its \emph{physical} behavior, including associated statistical moments and Lyapunov exponents. To address this gap, we propose an ergodic theoretic approach to generalization of complex dynamical models learned from time series data. Our main contribution is to define and analyze generalization of a broad suite of neural representations of classes of ergodic systems, including chaotic systems, in a way that captures emulating underlying invariant, physical measures. Our results provide theoretical justification for why regression methods for generators of dynamical systems (Neural ODEs) fail to generalize, and why their statistical accuracy improves upon adding Jacobian information during training. We verify our results on a number of ergodic chaotic systems and neural network parameterizations, including MLPs, ResNets, Fourier Neural layers, and RNNs.
comment: in NeuRIPS 2024
Reparameterized LLM Training via Orthogonal Equivalence Transformation
While large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we propose POET, a novel reParameterized training algorithm that uses Orthogonal Equivalence Transformation to optimize neurons. Specifically, POET reparameterizes each neuron with two learnable orthogonal matrices and a fixed random weight matrix. Because of its provable preservation of spectral properties of weight matrices, POET can stably optimize the objective function with improved generalization. We further develop efficient approximations that make POET flexible and scalable for training large-scale neural networks. Extensive experiments validate the effectiveness and scalability of POET in training LLMs.
comment: Technical report v3 (38 pages, 26 figures, project page: https://spherelab.ai/poet/, v3: added singular spectrum and energy analyses in Section 4)
♻ ☆ Addition is almost all you need: Compressing neural networks with double binary factorization
Binary quantization approaches, which replace weight matrices with binary matrices and substitute costly multiplications with cheaper additions, offer a computationally efficient approach to address the increasing computational and storage requirements of Large Language Models (LLMs). However, the severe quantization constraint ($\pm1$) can lead to significant accuracy degradation. In this paper, we propose Double Binary Factorization (DBF), a novel method that factorizes dense weight matrices into products of two binary (sign) matrices, each accompanied by scaling vectors. DBF preserves the efficiency advantages of binary representations while achieving compression rates that are competitive with or superior to state-of-the-art methods. Specifically, in a 1-bit per weight range, DBF is better than existing binarization approaches. In a 2-bit per weight range, DBF is competitive with the best quantization methods like QuIP\# and QTIP. Unlike most existing compression techniques, which offer limited compression level choices, DBF allows fine-grained control over compression ratios by adjusting the factorization's intermediate dimension. Based on this advantage, we further introduce an algorithm for estimating non-uniform layer-wise compression ratios for DBF, based on previously developed channel pruning criteria. Code available at: https://github.com/usamec/double_binary
♻ ☆ Bridging Social Media and Search Engines: Dredge Words and the Detection of Unreliable Domains
Proactive content moderation requires platforms to rapidly and continuously evaluate the credibility of websites. Leveraging the direct and indirect paths users follow to unreliable websites, we develop a website credibility classification and discovery system that integrates both webgraph and large-scale social media contexts. We additionally introduce the concept of dredge words, terms or phrases for which unreliable domains rank highly on search engines, and provide the first exploration of their usage on social media. Our graph neural networks that combine webgraph and social media contexts generate to state-of-the-art results in website credibility classification and significantly improves the top-k identification of unreliable domains. Additionally, we release a novel dataset of dredge words, highlighting their strong connections to both social media and online commerce platforms.
♻ ☆ Language and Planning in Robotic Navigation: A Multilingual Evaluation of State-of-the-Art Models AAAI'25
Large Language Models (LLMs) such as GPT-4, trained on huge amount of datasets spanning multiple domains, exhibit significant reasoning, understanding, and planning capabilities across various tasks. This study presents the first-ever work in Arabic language integration within the Vision-and-Language Navigation (VLN) domain in robotics, an area that has been notably underexplored in existing research. We perform a comprehensive evaluation of state-of-the-art multi-lingual Small Language Models (SLMs), including GPT-4o mini, Llama 3 8B, and Phi-3 medium 14B, alongside the Arabic-centric LLM, Jais. Our approach utilizes the NavGPT framework, a pure LLM-based instruction-following navigation agent, to assess the impact of language on navigation reasoning through zero-shot sequential action prediction using the R2R dataset. Through comprehensive experiments, we demonstrate that our framework is capable of high-level planning for navigation tasks when provided with instructions in both English and Arabic. However, certain models struggled with reasoning and planning in the Arabic language due to inherent limitations in their capabilities, sub-optimal performance, and parsing issues. These findings highlight the importance of enhancing planning and reasoning capabilities in language models for effective navigation, emphasizing this as a key area for further development while also unlocking the potential of Arabic-language models for impactful real-world applications.
comment: This work has been accepted for presentation at LM4Plan@AAAI'25. For more details, please check: https://llmforplanning.github.io/
♻ ☆ Agent Laboratory: Using LLM Agents as Research Assistants
Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research quality, we introduce Agent Laboratory, an autonomous LLM-based framework capable of completing the entire research process. This framework accepts a human-provided research idea and progresses through three stages--literature review, experimentation, and report writing to produce comprehensive research outputs, including a code repository and a research report, while enabling users to provide feedback and guidance at each stage. We deploy Agent Laboratory with various state-of-the-art LLMs and invite multiple researchers to assess its quality by participating in a survey, providing human feedback to guide the research process, and then evaluate the final paper. We found that: (1) Agent Laboratory driven by o1-preview generates the best research outcomes; (2) The generated machine learning code is able to achieve state-of-the-art performance compared to existing methods; (3) Human involvement, providing feedback at each stage, significantly improves the overall quality of research; (4) Agent Laboratory significantly reduces research expenses, achieving an 84% decrease compared to previous autonomous research methods. We hope Agent Laboratory enables researchers to allocate more effort toward creative ideation rather than low-level coding and writing, ultimately accelerating scientific discovery.
♻ ☆ FigCaps-HF: A Figure-to-Caption Generative Framework and Benchmark with Human Feedback
Captions are crucial for understanding scientific visualizations and documents. Existing captioning methods for scientific figures rely on figure-caption pairs extracted from documents for training, many of which fall short with respect to metrics like helpfulness, explainability, and visual-descriptiveness [15] leading to generated captions being misaligned with reader preferences. To enable the generation of high-quality figure captions, we introduce FigCaps-HF a new framework for figure-caption generation that can incorporate domain expert feedback in generating captions optimized for reader preferences. Our framework comprises of 1) an automatic method for evaluating quality of figure-caption pairs, 2) a novel reinforcement learning with human feedback (RLHF) method to optimize a generative figure-to-caption model for reader preferences. We demonstrate the effectiveness of our simple learning framework by improving performance over standard fine-tuning across different types of models. In particular, when using BLIP as the base model, our RLHF framework achieves a mean gain of 35.7%, 16.9%, and 9% in ROUGE, BLEU, and Meteor, respectively. Finally, we release a large-scale benchmark dataset with human feedback on figure-caption pairs to enable further evaluation and development of RLHF techniques for this problem.
comment: 16 pages, 4 figures. Benchmark Documentation: https://figcapshf.github.io/
♻ ☆ Understanding the Trade-offs in Accuracy and Uncertainty Quantification: Architecture and Inference Choices in Bayesian Neural Networks
As modern neural networks get more complex, specifying a model with high predictive performance and sound uncertainty quantification becomes a more challenging task. Despite some promising theoretical results on the true posterior predictive distribution of Bayesian neural networks, the properties of even the most commonly used posterior approximations are often questioned. Computational burdens and intractable posteriors expose miscalibrated Bayesian neural networks to poor accuracy and unreliable uncertainty estimates. Approximate Bayesian inference aims to replace unknown and intractable posterior distributions with some simpler but feasible distributions. The dimensions of modern deep models, coupled with the lack of identifiability, make Markov chain Monte Carlo (MCMC) tremendously expensive and unable to fully explore the multimodal posterior. On the other hand, variational inference benefits from improved computational complexity but lacks the asymptotical guarantees of sampling-based inference and tends to concentrate around a single mode. The performance of both approaches heavily depends on architectural choices; this paper aims to shed some light on this by considering the computational costs, accuracy and uncertainty quantification in different scenarios including large width and out-of-sample data. To improve posterior exploration, different model averaging and ensembling techniques are studied, along with their benefits on predictive performance. In our experiments, variational inference overall provided better uncertainty quantification than MCMC; further, stacking and ensembles of variational approximations provided comparable accuracy to MCMC at a much-reduced cost.
comment: 24 pages
♻ ☆ mFabric: An Efficient and Scalable Fabric for Mixture-of-Experts Training
Mixture-of-Expert (MoE) models outperform conventional models by selectively activating different subnets, named \emph{experts}, on a per-token basis. This gated computation generates dynamic communications that cannot be determined beforehand, challenging the existing GPU interconnects that remain \emph{static} during the distributed training process. In this paper, we advocate for a first-of-its-kind system, called mFabric, that unlocks topology reconfiguration \emph{during} distributed MoE training. Towards this vision, we first perform a production measurement study and show that the MoE dynamic communication pattern has \emph{strong locality}, alleviating the requirement of global reconfiguration. Based on this, we design and implement a \emph{regionally reconfigurable high-bandwidth domain} on top of existing electrical interconnects using optical circuit switching (OCS), achieving scalability while maintaining rapid adaptability. We have built a fully functional mFabric prototype with commodity hardware and a customized collective communication runtime that trains state-of-the-art MoE models with \emph{in-training} topology reconfiguration across 32 A100 GPUs. Large-scale packet-level simulations show that mFabric delivers comparable performance as the non-blocking fat-tree fabric while boosting the training cost efficiency (e.g., performance per dollar) of four representative MoE models by 1.2$\times$--1.5$\times$ and 1.9$\times$--2.3$\times$ at 100 Gbps and 400 Gbps link bandwidths, respectively.
comment: Corresponding authors: zhizhenz@mit.edu (Z. Zhong), kaichen@cse.ust.hk (K. Chen)
♻ ☆ ONEBench to Test Them All: Sample-Level Benchmarking Over Open-Ended Capabilities
Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.
♻ ☆ Diverse Topology Optimization using Modulated Neural Fields
Topology optimization (TO) is a family of computational methods that derive near-optimal geometries from formal problem descriptions. Despite their success, established TO methods are limited to generating single solutions, restricting the exploration of alternative designs. To address this limitation, we introduce Topology Optimization using Modulated Neural Fields (TOM) - a data-free method that trains a neural network to generate structurally compliant shapes and explores diverse solutions through an explicit diversity constraint. The network is trained with a solver-in-the-loop, optimizing the material distribution in each iteration. The trained model produces diverse shapes that closely adhere to the design requirements. We validate TOM on 2D and 3D TO problems. Our results show that TOM generates more diverse solutions than any previous method, all while maintaining near-optimality and without relying on a dataset. These findings open new avenues for engineering and design, offering enhanced flexibility and innovation in structural optimization.
comment: 22 pages, 14 figures
♻ ☆ Analytics Modelling over Multiple Datasets using Vector Embeddings
The massive increase in the data volume and dataset availability for analysts compels researchers to focus on data content and select high-quality datasets to enhance the performance of analytics operators. While selecting high-quality data significantly boosts analytical accuracy and efficiency, the exact process is very challenging given large-scale dataset availability. To address this issue, we propose a novel methodology that infers the outcome of analytics operators by creating a model from the available datasets. Each dataset is transformed to a vector embedding representation generated by our proposed deep learning model NumTabData2Vec, where similarity search are employed. Through experimental evaluation, we compare the prediction performance and the execution time of our framework to another state-of-the-art modelling operator framework, illustrating that our approach predicts analytics outcomes accurately, and increases speedup. Furthermore, our vectorization model can project different real-world scenarios to a lower vector embedding representation accurately and distinguish them.
♻ ☆ Distribution free M-estimation
The basic question of delineating those statistical problems that are solvable without making any assumptions on the underlying data distribution has long animated statistics and learning theory. This paper characterizes when a convex M-estimation or stochastic optimization problem is solvable in such an assumption-free setting, providing a precise dividing line between solvable and unsolvable problems. The conditions we identify show, perhaps surprisingly, that Lipschitz continuity of the loss being minimized is not necessary for distribution free minimization, and they are also distinct from classical characterizations of learnability in machine learning.
comment: 45 pages
♻ ☆ A Production Scheduling Framework for Reinforcement Learning Under Real-World Constraints
The classical Job Shop Scheduling Problem (JSSP) focuses on optimizing makespan under deterministic constraints. Real-world production environments introduce additional complexities that cause traditional scheduling approaches to be less effective. Reinforcement learning (RL) holds potential in addressing these challenges, as it allows agents to learn adaptive scheduling strategies. However, there is a lack of a comprehensive, general-purpose frameworks for effectively training and evaluating RL agents under real-world constraints. To address this gap, we propose a modular framework that extends classical JSSP formulations by incorporating key real-world constraints inherent to the shopfloor, including transport logistics, buffer management, machine breakdowns, setup times, and stochastic processing conditions, while also supporting multi-objective optimization. The framework is a customizable solution that offers flexibility in defining problem instances and configuring simulation parameters, enabling adaptation to diverse production scenarios. A standardized interface ensures compatibility with various RL approaches, providing a robust environment for training RL agents and facilitating the standardized comparison of different scheduling methods under dynamic and uncertain conditions. We release JobShopLab as an open-source tool for both research and industrial applications, accessible at: https://github.com/proto-lab-ro/jobshoplab
comment: This paper has been accepted for presentation at the IEEE 21st International Conference on Automation Science and Engineering (CASE 2025)
♻ ☆ Checkmating One, by Using Many: Combining Mixture of Experts with MCTS to Improve in Chess
In games like chess, strategy evolves dramatically across distinct phases - the opening, middlegame, and endgame each demand different forms of reasoning and decision-making. Yet, many modern chess engines rely on a single neural network to play the entire game uniformly, often missing opportunities to specialize. In this work, we introduce M2CTS, a modular framework that combines Mixture of Experts with Monte Carlo Tree Search to adapt strategy dynamically based on game phase. We explore three different methods for training the neural networks: Separated Learning, Staged Learning, and Weighted Learning. By routing decisions through specialized neural networks trained for each phase, M2CTS improves both computational efficiency and playing strength. In experiments on chess, M2CTS achieves up to +122 Elo over standard single-model baselines and shows promising generalization to multi-agent domains such as Pommerman. These results highlight how modular, phase-aware systems can better align with the structured nature of games and move us closer to human-like behavior in dividing a problem into many smaller units.
comment: 31 pages, 33 figures, 15 tables. Code available under https://github.com/QueensGambit/CrazyAra
♻ ☆ Strategic Client Selection to Address Non-IIDness in HAPS-enabled FL Networks
The deployment of federated learning (FL) in non-terrestrial networks (NTN) that are supported by high-altitude platform stations (HAPS) offers numerous advantages. Due to its large footprint, it facilitates interaction with a large number of line-of-sight (LoS) ground clients, each possessing diverse datasets along with distinct communication and computational capabilities. The presence of many clients enhances the accuracy of the FL model and speeds up convergence. However, the variety of datasets among these clients poses a significant challenge, as it leads to pervasive non-independent and identically distributed (non-IID) data. The data non-IIDness results in markedly reduced training accuracy and slower convergence rates. To address this issue, we propose a novel weighted attribute-based client selection strategy that leverages multiple user-specific attributes, including historical traffic patterns, instantaneous channel conditions, computational capabilities, and previous-round learning performance. By combining these attributes into a composite score for each user at every FL round and selecting users with higher scores as FL clients, the framework ensures more uniform and representative data distributions, effectively mitigating the adverse effects of non-IID data. Simulation results corroborate the effectiveness of the proposed client selection strategy in enhancing FL model accuracy and convergence rate, as well as reducing training loss, by effectively addressing the critical challenge of data non-IIDness in large-scale FL system implementations.
comment: Submitted to IEEE for possible publication
♻ ☆ Variational Bayesian Bow tie Neural Networks with Shrinkage
Despite the dominant role of deep models in machine learning, limitations persist, including overconfident predictions, susceptibility to adversarial attacks, and underestimation of variability in predictions. The Bayesian paradigm provides a natural framework to overcome such issues and has become the gold standard for uncertainty estimation with deep models, also providing improved accuracy and a framework for tuning critical hyperparameters. However, exact Bayesian inference is challenging, typically involving variational algorithms that impose strong independence and distributional assumptions. Moreover, existing methods are sensitive to the architectural choice of the network. We address these issues by focusing on a stochastic relaxation of the standard feed-forward rectified neural network and using sparsity-promoting priors on the weights of the neural network for increased robustness to architectural design. Thanks to Polya-Gamma data augmentation tricks, which render a conditionally linear and Gaussian model, we derive a fast, approximate variational inference algorithm that avoids distributional assumptions and independence across layers. Suitable strategies to further improve scalability and account for multimodality are considered.
♻ ☆ No-Regret Learning Under Adversarial Resource Constraints: A Spending Plan Is All You Need!
We study online decision making problems under resource constraints, where both reward and cost functions are drawn from distributions that may change adversarially over time. We focus on two canonical settings: $(i)$ online resource allocation where rewards and costs are observed before action selection, and $(ii)$ online learning with resource constraints where they are observed after action selection, under full feedback or bandit feedback. It is well known that achieving sublinear regret in these settings is impossible when reward and cost distributions may change arbitrarily over time. To address this challenge, we analyze a framework in which the learner is guided by a spending plan--a sequence prescribing expected resource usage across rounds. We design general (primal-)dual methods that achieve sublinear regret with respect to baselines that follow the spending plan. Crucially, the performance of our algorithms improves when the spending plan ensures a well-balanced distribution of the budget across rounds. We additionally provide a robust variant of our methods to handle worst-case scenarios where the spending plan is highly imbalanced. To conclude, we study the regret of our algorithms when competing against benchmarks that deviate from the prescribed spending plan.
♻ ☆ Low-Rank Thinning
The goal in thinning is to summarize a dataset using a small set of representative points. Remarkably, sub-Gaussian thinning algorithms like Kernel Halving and Compress can match the quality of uniform subsampling while substantially reducing the number of summary points. However, existing guarantees cover only a restricted range of distributions and kernel-based quality measures and suffer from pessimistic dimension dependence. To address these deficiencies, we introduce a new low-rank analysis of sub-Gaussian thinning that applies to any distribution and any kernel, guaranteeing high-quality compression whenever the kernel or data matrix is approximately low-rank. To demonstrate the broad applicability of the techniques, we design practical sub-Gaussian thinning approaches that improve upon the best known guarantees for approximating attention in transformers, accelerating stochastic gradient training through reordering, and distinguishing distributions in near-linear time.
♻ ☆ Evolution of ESG-focused DLT Research: An NLP Analysis of the Literature
Distributed Ledger Technology (DLT) faces increasing environmental scrutiny, particularly concerning the energy consumption of the Proof of Work (PoW) consensus mechanism and broader Environmental, Social, and Governance (ESG) issues. However, existing systematic literature reviews of DLT rely on limited analyses of citations, abstracts, and keywords, failing to fully capture the field's complexity and ESG concerns. We address these challenges by analyzing the full text of 24,539 publications using Natural Language Processing (NLP) with our manually labeled Named Entity Recognition (NER) dataset of 39,427 entities for DLT. This methodology identified 505 key publications at the DLT/ESG intersection, enabling comprehensive domain analysis. Our combined NLP and temporal graph analysis reveals critical trends in DLT evolution and ESG impacts, including cryptography and peer-to-peer networks research's foundational influence, Bitcoin's persistent impact on research and environmental concerns (a "Lindy effect"), Ethereum's catalytic role on Proof of Stake (PoS) and smart contract adoption, and the industry's progressive shift toward energy-efficient consensus mechanisms. Our contributions include the first DLT-specific NER dataset addressing the scarcity of high-quality labeled NLP data in blockchain research, a methodology integrating NLP and temporal graph analysis for large-scale interdisciplinary literature reviews, and the first NLP-driven literature review focusing on DLT's ESG aspects.
♻ ☆ GAdaBoost: An Efficient and Robust AdaBoost Algorithm Based on Granular-Ball Structure
Adaptive Boosting (AdaBoost) faces significant challenges posed by label noise, especially in multiclass classification tasks. Existing methods either lack mechanisms to handle label noise effectively or suffer from high computational costs due to redundant data usage. Inspired by granular computing, this paper proposes granular adaptive boosting (GAdaBoost), a novel two-stage framework comprising a data granulation stage and an adaptive boosting stage, to enhance efficiency and robustness under noisy conditions. To validate its feasibility, an extension of SAMME, termed GAdaBoost.SA, is proposed. Specifically, first, a granular-ball generation method is designed to compress data while preserving diversity and mitigating label noise. Second, the granular ball-based SAMME algorithm focuses on granular balls rather than individual samples, improving efficiency and reducing sensitivity to noise. Experimental results on some noisy datasets show that the proposed approach achieves superior robustness and efficiency compared with existing methods, demonstrating that this work effectively extends AdaBoost and SAMME.
♻ ☆ Multiperiodic Processes: Ergodic Sources with a Sublinear Entropy
We construct multiperiodic processes -- a simple example of stationary ergodic stochastic processes over natural numbers that enjoy the vanishing entropy rate under a mild condition. Multiperiodic processes are supported on randomly shifted deterministic sequences called multiperiodic sequences, which can be efficiently generated using an algorithm called the Infinite Clock. Under a suitable parameterization, multiperiodic sequences exhibit relative frequencies of particular numbers given by Zipf's law. Exactly in the same setting, the respective multiperiodic processes satisfy an asymptotic power-law growth of block entropy, called Hilberg's law. Hilberg's law is deemed to hold for statistical language models, in particular.
comment: 22 pages; 1 figure
♻ ☆ Hybrid Time-Domain Behavior Model Based on Neural Differential Equations and RNNs
Nonlinear dynamics system identification is crucial for circuit emulation. Traditional continuous-time domain modeling approaches have limitations in fitting capability and computational efficiency when used for modeling circuit IPs and device behaviors.This paper presents a novel continuous-time domain hybrid modeling paradigm. It integrates neural network differential models with recurrent neural networks (RNNs), creating NODE-RNN and NCDE-RNN models based on neural ordinary differential equations (NODE) and neural controlled differential equations (NCDE), respectively.Theoretical analysis shows that this hybrid model has mathematical advantages in event-driven dynamic mutation response and gradient propagation stability. Validation using real data from PIN diodes in high-power microwave environments shows NCDE-RNN improves fitting accuracy by 33\% over traditional NCDE, and NODE-RNN by 24\% over CTRNN, especially in capturing nonlinear memory effects.The model has been successfully deployed in Verilog-A and validated through circuit emulation, confirming its compatibility with existing platforms and practical value.This hybrid dynamics paradigm, by restructuring the neural differential equation solution path, offers new ideas for high-precision circuit time-domain modeling and is significant for complex nonlinear circuit system modeling.
comment: 7 pages,5 figures
♻ ☆ Towards Fair Representation: Clustering and Consensus
Consensus clustering, a fundamental task in machine learning and data analysis, aims to aggregate multiple input clusterings of a dataset, potentially based on different non-sensitive attributes, into a single clustering that best represents the collective structure of the data. In this work, we study this fundamental problem through the lens of fair clustering, as introduced by Chierichetti et al. [NeurIPS'17], which incorporates the disparate impact doctrine to ensure proportional representation of each protected group in the dataset within every cluster. Our objective is to find a consensus clustering that is not only representative but also fair with respect to specific protected attributes. To the best of our knowledge, we are the first to address this problem and provide a constant-factor approximation. As part of our investigation, we examine how to minimally modify an existing clustering to enforce fairness -- an essential postprocessing step in many clustering applications that require fair representation. We develop an optimal algorithm for datasets with equal group representation and near-linear time constant factor approximation algorithms for more general scenarios with different proportions of two group sizes. We complement our approximation result by showing that the problem is NP-hard for two unequal-sized groups. Given the fundamental nature of this problem, we believe our results on Closest Fair Clustering could have broader implications for other clustering problems, particularly those for which no prior approximation guarantees exist for their fair variants.
comment: The paper has been accepted at the Conference on Learning Theory (COLT) 2025. We have fixed some typos in the theorem statements
♻ ☆ Flat Posterior Does Matter For Bayesian Model Averaging
Bayesian neural networks (BNNs) estimate the posterior distribution of model parameters and utilize posterior samples for Bayesian Model Averaging (BMA) in prediction. However, despite the crucial role of flatness in the loss landscape in improving the generalization of neural networks, its impact on BMA has been largely overlooked. In this work, we explore how posterior flatness influences BMA generalization and empirically demonstrate that (1) most approximate Bayesian inference methods fail to yield a flat posterior and (2) BMA predictions, without considering posterior flatness, are less effective at improving generalization. To address this, we propose Flat Posterior-aware Bayesian Model Averaging (FP-BMA), a novel training objective that explicitly encourages flat posteriors in a principled Bayesian manner. We also introduce a Flat Posterior-aware Bayesian Transfer Learning scheme that enhances generalization in downstream tasks. Empirically, we show that FP-BMA successfully captures flat posteriors, improving generalization performance.
♻ ☆ SPARQ: Synthetic Problem Generation for Reasoning via Quality-Diversity Algorithms
Large language model (LLM) driven synthetic data generation has emerged as a powerful method for improving model reasoning capabilities. However, most methods either distill large state-of-the-art models into small students or use natural ground-truth problem statements to guarantee problem statement quality. This limits the scalability of these approaches to more complex and diverse problem domains. To address this, we present SPARQ: Synthetic Problem Generation for Reasoning via Quality-Diversity Algorithms, a novel approach for generating high-quality and diverse synthetic math problem and solution pairs using only a single model by measuring a problem's solve-rate: a proxy for problem difficulty. Starting from a seed dataset of 7.5K samples, we generate over 20 million new problem-solution pairs. We show that filtering the generated data by difficulty and then fine-tuning the same model on the resulting data improves relative model performance by up to 24\%. Additionally, we conduct ablations studying the impact of synthetic data quantity, quality and diversity on model generalization. We find that higher quality, as measured by problem difficulty, facilitates better in-distribution performance. Further, while generating diverse synthetic data does not as strongly benefit in-distribution performance, filtering for more diverse data facilitates more robust OOD generalization. We also confirm the existence of model and data scaling laws for synthetically generated problems, which positively benefit downstream model generalization.
♻ ☆ FlowAlign: Trajectory-Regularized, Inversion-Free Flow-based Image Editing
Recent inversion-free, flow-based image editing methods such as FlowEdit leverages a pre-trained noise-to-image flow model such as Stable Diffusion 3, enabling text-driven manipulation by solving an ordinary differential equation (ODE). While the lack of exact latent inversion is a core advantage of these methods, it often results in unstable editing trajectories and poor source consistency. To address this limitation, we propose FlowAlign, a novel inversion-free flow-based framework for consistent image editing with principled trajectory control. FlowAlign introduces a flow-matching loss as a regularization mechanism to promote smoother and more stable trajectories during the editing process. Notably, the flow-matching loss is shown to explicitly balance semantic alignment with the edit prompt and structural consistency with the source image along the trajectory. Furthermore, FlowAlign naturally supports reverse editing by simply reversing the ODE trajectory, highlighting the reversible and consistent nature of the transformation. Extensive experiments demonstrate that FlowAlign outperforms existing methods in both source preservation and editing controllability.
♻ ☆ Scalable and consistent embedding of probability measures into Hilbert spaces via measure quantization
This paper is focused on statistical learning from data that come as probability measures. In this setting, popular approaches consist in embedding such data into a Hilbert space with either Linearized Optimal Transport or Kernel Mean Embedding. However, the cost of computing such embeddings prohibits their direct use in large-scale settings. We study two methods based on measure quantization for approximating input probability measures with discrete measures of small-support size. The first one is based on optimal quantization of each input measure, while the second one relies on mean-measure quantization. We study the consistency of such approximations, and its implication for scalable embeddings of probability measures into a Hilbert space at a low computational cost. We finally illustrate our findings with various numerical experiments.
♻ ☆ DexHandDiff: Interaction-aware Diffusion Planning for Adaptive Dexterous Manipulation CVPR 2025
Dexterous manipulation with contact-rich interactions is crucial for advanced robotics. While recent diffusion-based planning approaches show promise for simple manipulation tasks, they often produce unrealistic ghost states (e.g., the object automatically moves without hand contact) or lack adaptability when handling complex sequential interactions. In this work, we introduce DexHandDiff, an interaction-aware diffusion planning framework for adaptive dexterous manipulation. DexHandDiff models joint state-action dynamics through a dual-phase diffusion process which consists of pre-interaction contact alignment and post-contact goal-directed control, enabling goal-adaptive generalizable dexterous manipulation. Additionally, we incorporate dynamics model-based dual guidance and leverage large language models for automated guidance function generation, enhancing generalizability for physical interactions and facilitating diverse goal adaptation through language cues. Experiments on physical interaction tasks such as door opening, pen and block re-orientation, object relocation, and hammer striking demonstrate DexHandDiff's effectiveness on goals outside training distributions, achieving over twice the average success rate (59.2% vs. 29.5%) compared to existing methods. Our framework achieves an average of 70.7% success rate on goal adaptive dexterous tasks, highlighting its robustness and flexibility in contact-rich manipulation.
comment: Accepted by CVPR 2025. Camera ready version. Previous DexDiffuser. Project page: https://dexdiffuser.github.io/
♻ ☆ Transductive Conformal Inference for Full Ranking
We introduce a method based on Conformal Prediction (CP) to quantify the uncertainty of full ranking algorithms. We focus on a specific scenario where $n+m$ items are to be ranked by some ``black box'' algorithm. It is assumed that the relative (ground truth) ranking of $n$ of them is known. The objective is then to quantify the error made by the algorithm on the ranks of the $m$ new items among the total $(n+m)$. In such a setting, the true ranks of the $n$ original items in the total $(n+m)$ depend on the (unknown) true ranks of the $m$ new ones. Consequently, we have no direct access to a calibration set to apply a classical CP method. To address this challenge, we propose to construct distribution-free bounds of the unknown conformity scores using recent results on the distribution of conformal p-values. Using these scores upper bounds, we provide valid prediction sets for the rank of any item. We also control the false coverage proportion, a crucial quantity when dealing with multiple prediction sets. Finally, we empirically show on both synthetic and real data the efficiency of our CP method for state-of-the-art algorithms such as RankNet or LambdaMart.
♻ ☆ Generalization error bound for denoising score matching under relaxed manifold assumption
We examine theoretical properties of the denoising score matching estimate. We model the density of observations with a nonparametric Gaussian mixture. We significantly relax the standard manifold assumption allowing the samples step away from the manifold. At the same time, we are still able to leverage a nice distribution structure. We derive non-asymptotic bounds on the approximation and generalization errors of the denoising score matching estimate. The rates of convergence are determined by the intrinsic dimension. Furthermore, our bounds remain valid even if we allow the ambient dimension grow polynomially with the sample size.
comment: Accepted for presentation at the 38th Annual Conference on Learning Theory (COLT 2025)
♻ ☆ Knowledge Bridger: Towards Training-free Missing Modality Completion CVPR 2025
Previous successful approaches to missing modality completion rely on carefully designed fusion techniques and extensive pre-training on complete data, which can limit their generalizability in out-of-domain (OOD) scenarios. In this study, we pose a new challenge: can we develop a missing modality completion model that is both resource-efficient and robust to OOD generalization? To address this, we present a training-free framework for missing modality completion that leverages large multimodal models (LMMs). Our approach, termed the "Knowledge Bridger", is modality-agnostic and integrates generation and ranking of missing modalities. By defining domain-specific priors, our method automatically extracts structured information from available modalities to construct knowledge graphs. These extracted graphs connect the missing modality generation and ranking modules through the LMM, resulting in high-quality imputations of missing modalities. Experimental results across both general and medical domains show that our approach consistently outperforms competing methods, including in OOD generalization. Additionally, our knowledge-driven generation and ranking techniques demonstrate superiority over variants that directly employ LMMs for generation and ranking, offering insights that may be valuable for applications in other domains.
comment: Accepted to CVPR 2025
♻ ☆ Adaptive Composition of Machine Learning as a Service (MLaaS) for IoT Environments
The dynamic nature of Internet of Things (IoT) environments challenges the long-term effectiveness of Machine Learning as a Service (MLaaS) compositions. The uncertainty and variability of IoT environments lead to fluctuations in data distribution, e.g., concept drift and data heterogeneity, and evolving system requirements, e.g., scalability demands and resource limitations. This paper proposes an adaptive MLaaS composition framework to ensure a seamless, efficient, and scalable MLaaS composition. The framework integrates a service assessment model to identify underperforming MLaaS services and a candidate selection model to filter optimal replacements. An adaptive composition mechanism is developed that incrementally updates MLaaS compositions using a contextual multi-armed bandit optimization strategy. By continuously adapting to evolving IoT constraints, the approach maintains Quality of Service (QoS) while reducing the computational cost associated with recomposition from scratch. Experimental results on a real-world dataset demonstrate the efficiency of our proposed approach.
♻ ☆ Sketch-Plan-Generalize: Learning and Planning with Neuro-Symbolic Programmatic Representations for Inductive Spatial Concepts ICML 2025
Effective human-robot collaboration requires the ability to learn personalized concepts from a limited number of demonstrations, while exhibiting inductive generalization, hierarchical composition, and adaptability to novel constraints. Existing approaches that use code generation capabilities of pre-trained large (vision) language models as well as purely neural models show poor generalization to \emph{a-priori} unseen complex concepts. Neuro-symbolic methods (Grand et al., 2023) offer a promising alternative by searching in program space, but face challenges in large program spaces due to the inability to effectively guide the search using demonstrations. Our key insight is to factor inductive concept learning as: (i) {\it Sketch:} detecting and inferring a coarse signature of a new concept (ii) {\it Plan:} performing an MCTS search over grounded action sequences guided by human demonstrations (iii) {\it Generalize:} abstracting out grounded plans as inductive programs. Our pipeline facilitates generalization and modular re-use, enabling continual concept learning. Our approach combines the benefits of code generation ability of large language models (LLMs) along with grounded neural representations, resulting in neuro-symbolic programs that show stronger inductive generalization on the task of constructing complex structures vis-\'a-vis LLM-only and purely neural approaches. Further, we demonstrate reasoning and planning capabilities with learned concepts for embodied instruction following.
comment: Programmatic Representations for Agent Learning Worskop, ICML 2025
♻ ☆ Efficient Online Decision Tree Learning with Active Feature Acquisition
Constructing decision trees online is a classical machine learning problem. Existing works often assume that features are readily available for each incoming data point. However, in many real world applications, both feature values and the labels are unknown a priori and can only be obtained at a cost. For example, in medical diagnosis, doctors have to choose which tests to perform (i.e., making costly feature queries) on a patient in order to make a diagnosis decision (i.e., predicting labels). We provide a fresh perspective to tackle this practical challenge. Our framework consists of an active planning oracle embedded in an online learning scheme for which we investigate several information acquisition functions. Specifically, we employ a surrogate information acquisition function based on adaptive submodularity to actively query feature values with a minimal cost, while using a posterior sampling scheme to maintain a low regret for online prediction. We demonstrate the efficiency and effectiveness of our framework via extensive experiments on various real-world datasets. Our framework also naturally adapts to the challenging setting of online learning with concept drift and is shown to be competitive with baseline models while being more flexible.
♻ ☆ GraphAU-Pain: Graph-based Action Unit Representation for Pain Intensity Estimation IJCAI25
Understanding pain-related facial behaviors is essential for digital healthcare in terms of effective monitoring, assisted diagnostics, and treatment planning, particularly for patients unable to communicate verbally. Existing data-driven methods of detecting pain from facial expressions are limited due to interpretability and severity quantification. To this end, we propose GraphAU-Pain, leveraging a graph-based framework to model facial Action Units (AUs) and their interrelationships for pain intensity estimation. AUs are represented as graph nodes, with co-occurrence relationships as edges, enabling a more expressive depiction of pain-related facial behaviors. By utilizing a relational graph neural network, our framework offers improved interpretability and significant performance gains. Experiments conducted on the publicly available UNBC dataset demonstrate the effectiveness of the GraphAU-Pain, achieving an F1-score of 66.21% and accuracy of 87.61% in pain intensity estimation.
comment: MiGA@IJCAI25
♻ ☆ Stabilizing Backpropagation in 16-bit Neural Training with Modified Adam Optimizer
In this research, we address critical concerns related to the numerical instability observed in 16-bit computations of machine learning models. Such instability, particularly when employing popular optimization algorithms like Adam, often leads to unstable training of deep neural networks. This not only disrupts the learning process but also poses significant challenges in deploying dependable models in real-world applications. Our investigation identifies the epsilon hyperparameter as the primary source of this instability. A nuanced exploration reveals that subtle adjustments to epsilon within 16-bit computations can enhance the numerical stability of Adam, enabling more stable training of 16-bit neural networks. We propose a novel, dependable approach that leverages updates from the Adam optimizer to bolster the stability of the learning process. Our contributions provide deeper insights into optimization challenges in low-precision computations and offer solutions to ensure the stability of deep neural network training, paving the way for their dependable use in various applications.
♻ ☆ SeqPE: Transformer with Sequential Position Encoding
Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each $n$-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.
♻ ☆ Mini-Game Lifetime Value Prediction in WeChat KDD
The LifeTime Value (LTV) prediction, which endeavors to forecast the cumulative purchase contribution of a user to a particular item, remains a vital challenge that advertisers are keen to resolve. A precise LTV prediction system enhances the alignment of user interests with meticulously designed advertisements, thereby generating substantial profits for advertisers. Nonetheless, this issue is complicated by the paucity of data typically observed in real-world advertising scenarios. The purchase rate among registered users is often as critically low as 0.1%, resulting in a dataset where the majority of users make only several purchases. Consequently, there is insufficient supervisory signal for effectively training the LTV prediction model. An additional challenge emerges from the interdependencies among tasks with high correlation. It is a common practice to estimate a user's contribution to a game over a specified temporal interval. Varying the lengths of these intervals corresponds to distinct predictive tasks, which are highly correlated. For instance, predictions over a 7-day period are heavily reliant on forecasts made over a 3-day period, where exceptional cases can adversely affect the accuracy of both tasks. In order to comprehensively address the aforementioned challenges, we introduce an innovative framework denoted as Graph-Represented Pareto-Optimal LifeTime Value prediction (GRePO-LTV). Graph representation learning is initially employed to address the issue of data scarcity. Subsequently, Pareto-Optimization is utilized to manage the interdependence of prediction tasks.
comment: KDD ADS Track 2025
♻ ☆ QuantFactor REINFORCE: Mining Steady Formulaic Alpha Factors with Variance-bounded REINFORCE
Alpha factor mining aims to discover investment signals from the historical financial market data, which can be used to predict asset returns and gain excess profits. Powerful deep learning methods for alpha factor mining lack interpretability, making them unacceptable in the risk-sensitive real markets. Formulaic alpha factors are preferred for their interpretability, while the search space is complex and powerful explorative methods are urged. Recently, a promising framework is proposed for generating formulaic alpha factors using deep reinforcement learning, and quickly gained research focuses from both academia and industries. This paper first argues that the originally employed policy training method, i.e., Proximal Policy Optimization (PPO), faces several important issues in the context of alpha factors mining. Herein, a novel reinforcement learning algorithm based on the well-known REINFORCE algorithm is proposed. REINFORCE employs Monte Carlo sampling to estimate the policy gradient-yielding unbiased but high variance estimates. The minimal environmental variability inherent in the underlying state transition function, which adheres to the Dirac distribution, can help alleviate this high variance issue, making REINFORCE algorithm more appropriate than PPO. A new dedicated baseline is designed to theoretically reduce the commonly suffered high variance of REINFORCE. Moreover, the information ratio is introduced as a reward shaping mechanism to encourage the generation of steady alpha factors that can better adapt to changes in market volatility. Evaluations on real assets data indicate the proposed algorithm boosts correlation with returns by 3.83\%, and a stronger ability to obtain excess returns compared to the latest alpha factors mining methods, which meets the theoretical results well.
comment: 16 pages, 9 figures
♻ ☆ A Survey of Mamba
As one of the most representative DL techniques, Transformer architecture has empowered numerous advanced models, especially the large language models (LLMs) that comprise billions of parameters, becoming a cornerstone in deep learning. Despite the impressive achievements, Transformers still face inherent limitations, particularly the time-consuming inference resulting from the quadratic computation complexity of attention calculation. Recently, a novel architecture named Mamba, drawing inspiration from classical state space models (SSMs), has emerged as a promising alternative for building foundation models, delivering comparable modeling abilities to Transformers while preserving near-linear scalability concerning sequence length. This has sparked an increasing number of studies actively exploring Mamba's potential to achieve impressive performance across diverse domains. Given such rapid evolution, there is a critical need for a systematic review that consolidates existing Mamba-empowered models, offering a comprehensive understanding of this emerging model architecture. In this survey, we therefore conduct an in-depth investigation of recent Mamba-associated studies, covering three main aspects: the advancements of Mamba-based models, the techniques of adapting Mamba to diverse data, and the applications where Mamba can excel. Specifically, we first review the foundational knowledge of various representative deep learning models and the details of Mamba-1&2 as preliminaries. Then, to showcase the significance of Mamba for AI, we comprehensively review the related studies focusing on Mamba models' architecture design, data adaptability, and applications. Finally, we present a discussion of current limitations and explore various promising research directions to provide deeper insights for future investigations.
♻ ☆ Heavy-Tailed Diffusion with Denoising Lévy Probabilistic Models
Exploring noise distributions beyond Gaussian in diffusion models remains an open challenge. While Gaussian-based models succeed within a unified SDE framework, recent studies suggest that heavy-tailed noise distributions, like $\alpha$-stable distributions, may better handle mode collapse and effectively manage datasets exhibiting class imbalance, heavy tails, or prominent outliers. Recently, Yoon et al.\ (NeurIPS 2023), presented the L\'evy-It\^o model (LIM), directly extending the SDE-based framework to a class of heavy-tailed SDEs, where the injected noise followed an $\alpha$-stable distribution, a rich class of heavy-tailed distributions. However, the LIM framework relies on highly involved mathematical techniques with limited flexibility, potentially hindering broader adoption and further development. In this study, instead of starting from the SDE formulation, we extend the denoising diffusion probabilistic model (DDPM) by replacing the Gaussian noise with $\alpha$-stable noise. By using only elementary proof techniques, the proposed approach, Denoising L\'evy Probabilistic Models (DLPM), boils down to vanilla DDPM with minor modifications. As opposed to the Gaussian case, DLPM and LIM yield different training algorithms and different backward processes, leading to distinct sampling algorithms. These fundamental differences translate favorably for DLPM as compared to LIM: our experiments show improvements in coverage of data distribution tails, better robustness to unbalanced datasets, and improved computation times requiring smaller number of backward steps.
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data will be available later (under review). Keywords: reinforcement learning with verifiable rewards (RLVR), instruction following, complex instructions
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ Learning Spatially Adaptive $\ell_1$-Norms Weights for Convolutional Synthesis Regularization
We propose an unrolled algorithm approach for learning spatially adaptive parameter maps in the framework of convolutional synthesis-based $\ell_1$ regularization. More precisely, we consider a family of pre-trained convolutional filters and estimate deeply parametrized spatially varying parameters applied to the sparse feature maps by means of unrolling a FISTA algorithm to solve the underlying sparse estimation problem. The proposed approach is evaluated for image reconstruction of low-field MRI and compared to spatially adaptive and non-adaptive analysis-type procedures relying on Total Variation regularization and to a well-established model-based deep learning approach. We show that the proposed approach produces visually and quantitatively comparable results with the latter approaches and at the same time remains highly interpretable. In particular, the inferred parameter maps quantify the local contribution of each filter in the reconstruction, which provides valuable insight into the algorithm mechanism and could potentially be used to discard unsuited filters.
comment: Accepted for publication in the proceedings of the EUSIPCO 2025 conference
♻ ☆ IKDiffuser: Fast and Diverse Inverse Kinematics Solution Generation for Multi-arm Robotic Systems
Solving Inverse Kinematics (IK) problems is fundamental to robotics, but has primarily been successful with single serial manipulators. For multi-arm robotic systems, IK remains challenging due to complex self-collisions, coupled joints, and high-dimensional redundancy. These complexities make traditional IK solvers slow, prone to failure, and lacking in solution diversity. In this paper, we present IKDiffuser, a diffusion-based model designed for fast and diverse IK solution generation for multi-arm robotic systems. IKDiffuser learns the joint distribution over the configuration space, capturing complex dependencies and enabling seamless generalization to multi-arm robotic systems of different structures. In addition, IKDiffuser can incorporate additional objectives during inference without retraining, offering versatility and adaptability for task-specific requirements. In experiments on 6 different multi-arm systems, the proposed IKDiffuser achieves superior solution accuracy, precision, diversity, and computational efficiency compared to existing solvers. The proposed IKDiffuser framework offers a scalable, unified approach to solving multi-arm IK problems, facilitating the potential of multi-arm robotic systems in real-time manipulation tasks.
comment: under review
♻ ☆ Evaluating Rank-N-Contrast: Continuous and Robust Representations for Regression
This document is a replication of the original "Rank-N-Contrast" (arXiv:2210.01189v2) paper published in 2023. This evaluation is done for academic purposes. Deep regression models often fail to capture the continuous nature of sample orders, creating fragmented representations and suboptimal performance. To address this, we reproduced the Rank-N-Contrast (RNC) framework, which learns continuous representations by contrasting samples by their rankings in the target space. Our study validates RNC's theoretical and empirical benefits, including improved performance and robustness. We extended the evaluation to an additional regression dataset and conducted robustness tests using a holdout method, where a specific range of continuous data was excluded from the training set. This approach assessed the model's ability to generalise to unseen data and achieve state-of-the-art performance. This replication study validates the original findings and broadens the understanding of RNC's applicability and robustness.
comment: Academic project ; not made for publication
♻ ☆ Magneto: Combining Small and Large Language Models for Schema Matching
Recent advances in language models opened new opportunities to address complex schema matching tasks. Schema matching approaches have been proposed that demonstrate the usefulness of language models, but they have also uncovered important limitations: Small language models (SLMs) require training data (which can be both expensive and challenging to obtain), and large language models (LLMs) often incur high computational costs and must deal with constraints imposed by context windows. We present Magneto, a cost-effective and accurate solution for schema matching that combines the advantages of SLMs and LLMs to address their limitations. By structuring the schema matching pipeline in two phases, retrieval and reranking, Magneto can use computationally efficient SLM-based strategies to derive candidate matches which can then be reranked by LLMs, thus making it possible to reduce runtime without compromising matching accuracy. We propose a self-supervised approach to fine-tune SLMs which uses LLMs to generate syntactically diverse training data, and prompting strategies that are effective for reranking. We also introduce a new benchmark, developed in collaboration with domain experts, which includes real biomedical datasets and presents new challenges to schema matching methods. Through a detailed experimental evaluation, using both our new and existing benchmarks, we show that Magneto is scalable and attains high accuracy for datasets from different domains.
♻ ☆ Experimental Design for Semiparametric Bandits
We study finite-armed semiparametric bandits, where each arm's reward combines a linear component with an unknown, potentially adversarial shift. This model strictly generalizes classical linear bandits and reflects complexities common in practice. We propose the first experimental-design approach that simultaneously offers a sharp regret bound, a PAC bound, and a best-arm identification guarantee. Our method attains the minimax regret $\tilde{O}(\sqrt{dT})$, matching the known lower bound for finite-armed linear bandits, and further achieves logarithmic regret under a positive suboptimality gap condition. These guarantees follow from our refined non-asymptotic analysis of orthogonalized regression that attains the optimal $\sqrt{d}$ rate, paving the way for robust and efficient learning across a broad class of semiparametric bandit problems.
comment: Accepted at COLT 2025
♻ ☆ Temperature-Annealed Boltzmann Generators
Efficient sampling of unnormalized probability densities such as the Boltzmann distribution of molecular systems is a longstanding challenge. Next to conventional approaches like molecular dynamics or Markov chain Monte Carlo, variational approaches, such as training normalizing flows with the reverse Kullback-Leibler divergence, have been introduced. However, such methods are prone to mode collapse and often do not learn to sample the full configurational space. Here, we present temperature-annealed Boltzmann generators (TA-BG) to address this challenge. First, we demonstrate that training a normalizing flow with the reverse Kullback-Leibler divergence at high temperatures is possible without mode collapse. Furthermore, we introduce a reweighting-based training objective to anneal the distribution to lower target temperatures. We apply this methodology to three molecular systems of increasing complexity and, compared to the baseline, achieve better results in almost all metrics while requiring up to three times fewer target energy evaluations. For the largest system, our approach is the only method that accurately resolves the metastable states of the system.
♻ ☆ Market Making without Regret
We consider a sequential decision-making setting where, at every round $t$, a market maker posts a bid price $B_t$ and an ask price $A_t$ to an incoming trader (the taker) with a private valuation for one unit of some asset. If the trader's valuation is lower than the bid price, or higher than the ask price, then a trade (sell or buy) occurs. If a trade happens at round $t$, then letting $M_t$ be the market price (observed only at the end of round $t$), the maker's utility is $M_t - B_t$ if the maker bought the asset, and $A_t - M_t$ if they sold it. We characterize the maker's regret with respect to the best fixed choice of bid and ask pairs under a variety of assumptions (adversarial, i.i.d., and their variants) on the sequence of market prices and valuations. Our upper bound analysis unveils an intriguing connection relating market making to first-price auctions and dynamic pricing. Our main technical contribution is a lower bound for the i.i.d. case with Lipschitz distributions and independence between prices and valuations. The difficulty in the analysis stems from the unique structure of the reward and feedback functions, allowing an algorithm to acquire information by graduating the "cost of exploration" in an arbitrary way.
♻ ☆ Querying functional and structural niches on spatial transcriptomics data
Cells in multicellular organisms coordinate to form functional and structural niches. With spatial transcriptomics enabling gene expression profiling in spatial contexts, it has been revealed that spatial niches serve as cohesive and recurrent units in physiological and pathological processes. These observations suggest universal tissue organization principles encoded by conserved niche patterns, and call for a query-based niche analytical paradigm beyond current computational tools. In this work, we defined the Niche Query Task, which is to identify similar niches across ST samples given a niche of interest (NOI). We further developed QueST, a specialized method for solving this task. QueST models each niche as a subgraph, uses contrastive learning to learn discriminative niche embeddings, and incorporates adversarial training to mitigate batch effects. In simulations and benchmark datasets, QueST outperformed existing methods repurposed for niche querying, accurately capturing niche structures in heterogeneous environments and demonstrating strong generalizability across diverse sequencing platforms. Applied to tertiary lymphoid structures in renal and lung cancers, QueST revealed functionally distinct niches associated with patient prognosis and uncovered conserved and divergent spatial architectures across cancer types. These results demonstrate that QueST enables systematic, quantitative profiling of spatial niches across samples, providing a powerful tool to dissect spatial tissue architecture in health and disease.
♻ ☆ Accelerating RLHF Training with Reward Variance Increase
Reinforcement learning from human feedback (RLHF) is an essential technique for ensuring that large language models (LLMs) are aligned with human values and preferences during the post-training phase. As an effective RLHF approach, group relative policy optimization (GRPO) has demonstrated success in many LLM-based applications. However, efficient GRPO-based RLHF training remains a challenge. Recent studies reveal that a higher reward variance of the initial policy model leads to faster RLHF training. Inspired by this finding, we propose a practical reward adjustment model to accelerate RLHF training by provably increasing the reward variance and preserving the relative preferences and reward expectation. Our reward adjustment method inherently poses a nonconvex optimization problem, which is NP-hard to solve in general. To overcome the computational challenges, we design a novel $O(n \log n)$ algorithm to find a global solution of the nonconvex reward adjustment model by explicitly characterizing the extreme points of the feasible set. As an important application, we naturally integrate this reward adjustment model into the GRPO algorithm, leading to a more efficient GRPO with reward variance increase (GRPOVI) algorithm for RLHF training. As an interesting byproduct, we provide an indirect explanation for the empirical effectiveness of GRPO with rule-based reward for RLHF training, as demonstrated in DeepSeek-R1. Experiment results demonstrate that the GRPOVI algorithm can significantly improve the RLHF training efficiency compared to the original GRPO algorithm.
♻ ☆ Effect of Selection Format on LLM Performance
This paper investigates a critical aspect of large language model (LLM) performance: the optimal formatting of classification task options in prompts. Through an extensive experimental study, we compared two selection formats -- bullet points and plain English -- to determine their impact on model performance. Our findings suggest that presenting options via bullet points generally yields better results, although there are some exceptions. Furthermore, our research highlights the need for continued exploration of option formatting to drive further improvements in model performance.
♻ ☆ Analyzing Effects of Mixed Sample Data Augmentation on Model Interpretability
Mixed sample data augmentation strategies are actively used when training deep neural networks (DNNs). Recent studies suggest that they are effective at various tasks. However, the impact of mixed sample data augmentation on model interpretability has not been widely studied. In this paper, we explore the relationship between model interpretability and mixed sample data augmentation, specifically in terms of feature attribution maps. To this end, we introduce a new metric that allows a comparison of model interpretability while minimizing the impact of occlusion robustness of the model. Experimental results show that several mixed sample data augmentation decreases the interpretability of the model and label mixing during data augmentation plays a significant role in this effect. This new finding suggests it is important to carefully adopt the mixed sample data augmentation method, particularly in applications where attribution map-based interpretability is important.
comment: Accepted to Neural Networks
♻ ☆ Efficient Global Optimization of Two-Layer ReLU Networks: Quadratic-Time Algorithms and Adversarial Training
The non-convexity of the artificial neural network (ANN) training landscape brings inherent optimization difficulties. While the traditional back-propagation stochastic gradient descent (SGD) algorithm and its variants are effective in certain cases, they can become stuck at spurious local minima and are sensitive to initializations and hyperparameters. Recent work has shown that the training of an ANN with ReLU activations can be reformulated as a convex program, bringing hope to globally optimizing interpretable ANNs. However, naively solving the convex training formulation has an exponential complexity, and even an approximation heuristic requires cubic time. In this work, we characterize the quality of this approximation and develop two efficient algorithms that train ANNs with global convergence guarantees. The first algorithm is based on the alternating direction method of multiplier (ADMM). It solves both the exact convex formulation and the approximate counterpart. Linear global convergence is achieved, and the initial several iterations often yield a solution with high prediction accuracy. When solving the approximate formulation, the per-iteration time complexity is quadratic. The second algorithm, based on the "sampled convex programs" theory, solves unconstrained convex formulations and converges to an approximately globally optimal classifier. The non-convexity of the ANN training landscape exacerbates when adversarial training is considered. We apply the robust convex optimization theory to convex training and develop convex formulations that train ANNs robust to adversarial inputs. Our analysis explicitly focuses on one-hidden-layer fully connected ANNs, but can extend to more sophisticated architectures.
♻ ☆ Does DQN Learn?
A primary requirement for any reinforcement learning method is that it should produce policies that improve upon the initial guess. In this work, we show that the widely used Deep Q-Network (DQN) fails to satisfy this minimal criterion -- even when it gets to see all possible states and actions infinitely often (a condition under which tabular Q-learning is guaranteed to converge to the optimal Q-value function). Our specific contributions are twofold. First, we numerically show that DQN often returns a policy that performs worse than the initial one. Second, we offer a theoretical explanation for this phenomenon in linear DQN, a simplified version of DQN that uses linear function approximation in place of neural networks while retaining the other key components such as $\epsilon$-greedy exploration, experience replay, and target network. Using tools from differential inclusion theory, we prove that the limit points of linear DQN correspond to fixed points of projected Bellman operators. Crucially, we show that these fixed points need not relate to optimal -- or even near-optimal -- policies, thus explaining linear DQN's sub-optimal behaviors. We also give a scenario where linear DQN always identifies the worst policy. Our work fills a longstanding gap in understanding the convergence behaviors of Q-learning with function approximation and $\epsilon$-greedy exploration.
comment: 24 pages, 3 figures
♻ ☆ LongSpec: Long-Context Lossless Speculative Decoding with Efficient Drafting and Verification
As Large Language Models (LLMs) can now process extremely long contexts, efficient inference over these extended inputs has become increasingly important, especially for emerging applications like LLM agents that highly depend on this capability. Speculative decoding (SD) offers a promising lossless acceleration technique compared to lossy alternatives such as quantization and model cascades. However, most state-of-the-art SD methods are trained on short texts (typically fewer than 4k tokens), making them unsuitable for long-context scenarios. Specifically, adapting these methods to long contexts presents three key challenges: (1) the excessive memory demands posed by draft models due to large Key-Value (KV) cache; (2) performance degradation resulting from the mismatch between short-context training and long-context inference; and (3) inefficiencies in tree attention mechanisms when managing long token sequences. This work introduces LongSpec, a framework that addresses these challenges through three core innovations: a memory-efficient draft model with a constant-sized KV cache; novel position indices that mitigate the training-inference mismatch; and an attention aggregation strategy that combines fast prefix computation with standard tree attention to enable efficient decoding. Experimental results confirm the effectiveness of LongSpec, achieving up to a 3.26x speedup over strong Flash Attention baselines across five long-context understanding datasets, as well as a 2.25x reduction in wall-clock time on the AIME24 long reasoning task with the QwQ model, demonstrating significant latency improvements for long-context applications. The code is available at https://github.com/sail-sg/LongSpec.
Geometric Signatures of Compositionality Across a Language Model's Lifetime ACL 2025
By virtue of linguistic compositionality, few syntactic rules and a finite lexicon can generate an unbounded number of sentences. That is, language, though seemingly high-dimensional, can be explained using relatively few degrees of freedom. An open question is whether contemporary language models (LMs) reflect the intrinsic simplicity of language that is enabled by compositionality. We take a geometric view of this problem by relating the degree of compositionality in a dataset to the intrinsic dimension (ID) of its representations under an LM, a measure of feature complexity. We find not only that the degree of dataset compositionality is reflected in representations' ID, but that the relationship between compositionality and geometric complexity arises due to learned linguistic features over training. Finally, our analyses reveal a striking contrast between nonlinear and linear dimensionality, showing they respectively encode semantic and superficial aspects of linguistic composition.
comment: Published at ACL 2025
♻ ☆ Information-Computation Gaps in Quantum Learning via Low-Degree Likelihood
In a variety of physically relevant settings for learning from quantum data, designing protocols that can computationally efficiently extract information remains largely an art, and there are important cases where we believe this to be impossible, that is, where there is an information-computation gap. While there is a large array of tools in the classical literature for giving evidence for average-case hardness of statistical inference problems, the corresponding tools in the quantum literature are far more limited. One such framework in the classical literature, the low-degree method, makes predictions about hardness of inference problems based on the failure of estimators given by low-degree polynomials. In this work, we extend this framework to the quantum setting. We establish a general connection between state designs and low-degree hardness. We use this to obtain the first information-computation gaps for learning Gibbs states of random, sparse, non-local Hamiltonians. We also use it to prove hardness for learning random shallow quantum circuit states in a challenging model where states can be measured in adaptively chosen bases. To our knowledge, the ability to model adaptivity within the low-degree framework was open even in classical settings. In addition, we also obtain a low-degree hardness result for quantum error mitigation against strategies with single-qubit measurements. We define a new quantum generalization of the planted biclique problem and identify the threshold at which this problem becomes computationally hard for protocols that perform local measurements. Interestingly, the complexity landscape for this problem shifts when going from local measurements to more entangled single-copy measurements. We show average-case hardness for the "standard" variant of Learning Stabilizers with Noise and for agnostically learning product states.
comment: 88 pages, 2 figures
♻ ☆ Understand the Effect of Importance Weighting in Deep Learning on Dataset Shift
We evaluate the effectiveness of importance weighting in deep neural networks under label shift and covariate shift. On synthetic 2D data (linearly separable and moon-shaped) using logistic regression and MLPs, we observe that weighting strongly affects decision boundaries early in training but fades with prolonged optimization. On CIFAR-10 with various class imbalances, only L2 regularization (not dropout) helps preserve weighting effects. In a covariate-shift experiment, importance weighting yields no significant performance gain, highlighting challenges on complex data. Our results call into question the practical utility of importance weighting for real-world distribution shifts.
♻ ☆ 3D Brain MRI Classification for Alzheimer Diagnosis Using CNN with Data Augmentation
A three-dimensional convolutional neural network was developed to classify T1-weighted brain MRI scans as healthy or Alzheimer. The network comprises 3D convolution, pooling, batch normalization, dense ReLU layers, and a sigmoid output. Using stochastic noise injection and five-fold cross-validation, the model achieved test set accuracy of 0.912 and area under the ROC curve of 0.961, an improvement of approximately 0.027 over resizing alone. Sensitivity and specificity both exceeded 0.90. These results align with prior work reporting up to 0.10 gain via synthetic augmentation. The findings demonstrate the effectiveness of simple augmentation for 3D MRI classification and motivate future exploration of advanced augmentation methods and architectures such as 3D U-Net and vision transformers.
♻ ☆ Reward Shaping to Mitigate Reward Hacking in RLHF
Reinforcement Learning from Human Feedback (RLHF) is essential for aligning large language models (LLMs) with human values. However, RLHF is susceptible to \emph{reward hacking}, where the agent exploits flaws in the reward function rather than learning the intended behavior, thus degrading alignment. Although reward shaping helps stabilize RLHF and partially mitigate reward hacking, a systematic investigation into shaping techniques and their underlying principles remains lacking. To bridge this gap, we present a comprehensive study of the prevalent reward shaping methods. Our analysis suggests two key design principles: (1) the RL reward should be bounded, and (2) the RL reward benefits from rapid initial growth followed by gradual convergence. Guided by these insights, we propose Preference As Reward (PAR), a novel approach that leverages the latent preferences embedded within the reward model as the signal for reinforcement learning. We evaluated PAR on two base models, Gemma2-2B, and Llama3-8B, using two datasets, Ultrafeedback-Binarized and HH-RLHF. Experimental results demonstrate PAR's superior performance over other reward shaping methods. On the AlpacaEval 2.0 benchmark, PAR achieves a win rate of at least 5 percentage points higher than competing approaches. Furthermore, PAR exhibits remarkable data efficiency, requiring only a single reference reward for optimal performance, and maintains robustness against reward hacking even after two full epochs of training. The code is available at https://github.com/PorUna-byte/PAR, and the Work done during the internship at StepFun by Jiayi Fu.
comment: 24 pages
♻ ☆ CellCLIP -- Learning Perturbation Effects in Cell Painting via Text-Guided Contrastive Learning
High-content screening (HCS) assays based on high-throughput microscopy techniques such as Cell Painting have enabled the interrogation of cells' morphological responses to perturbations at an unprecedented scale. The collection of such data promises to facilitate a better understanding of the relationships between different perturbations and their effects on cellular state. Towards achieving this goal, recent advances in cross-modal contrastive learning could, in theory, be leveraged to learn a unified latent space that aligns perturbations with their corresponding morphological effects. However, the application of such methods to HCS data is not straightforward due to substantial differences in the semantics of Cell Painting images compared to natural images, and the difficulty of representing different classes of perturbations (e.g., small molecule vs CRISPR gene knockout) in a single latent space. In response to these challenges, here we introduce CellCLIP, a cross-modal contrastive learning framework for HCS data. CellCLIP leverages pre-trained image encoders coupled with a novel channel encoding scheme to better capture relationships between different microscopy channels in image embeddings, along with natural language encoders for representing perturbations. Our framework outperforms current open-source models, demonstrating the best performance in both cross-modal retrieval and biologically meaningful downstream tasks while also achieving significant reductions in computation time.
♻ ☆ EEG2TEXT-CN: An Exploratory Study of Open-Vocabulary Chinese Text-EEG Alignment via Large Language Model and Contrastive Learning on ChineseEEG
We propose EEG2TEXT-CN, which, to the best of our knowledge, represents one of the earliest open-vocabulary EEG-to-text generation frameworks tailored for Chinese. Built on a biologically grounded EEG encoder (NICE-EEG) and a compact pretrained language model (MiniLM), our architecture aligns multichannel brain signals with natural language representations via masked pretraining and contrastive learning. Using a subset of the ChineseEEG dataset, where each sentence contains approximately ten Chinese characters aligned with 128-channel EEG recorded at 256 Hz, we segment EEG into per-character embeddings and predict full sentences in a zero-shot setting. The decoder is trained with teacher forcing and padding masks to accommodate variable-length sequences. Evaluation on over 1,500 training-validation sentences and 300 held-out test samples shows promising lexical alignment, with a best BLEU-1 score of 6.38\%. While syntactic fluency remains a challenge, our findings demonstrate the feasibility of non-phonetic, cross-modal language decoding from EEG. This work opens a new direction in multilingual brain-to-text research and lays the foundation for future cognitive-language interfaces in Chinese.
♻ ☆ On-the-Fly Adaptive Distillation of Transformer to Dual-State Linear Attention
Large language models (LLMs) excel at capturing global token dependencies via self-attention but face prohibitive compute and memory costs on lengthy inputs. While sub-quadratic methods (e.g., linear attention) can reduce these costs, they often degrade accuracy due to overemphasizing recent tokens. In this work, we first propose dual-state linear attention (DSLA), a novel design that maintains two specialized hidden states-one for preserving historical context and one for tracking recency-thereby mitigating the short-range bias typical of linear-attention architectures. To further balance efficiency and accuracy under dynamic workload conditions, we introduce DSLA-Serve, an online adaptive distillation framework that progressively replaces Transformer layers with DSLA layers at inference time, guided by a sensitivity-based layer ordering. DSLA-Serve uses a chained fine-tuning strategy to ensure that each newly converted DSLA layer remains consistent with previously replaced layers, preserving the overall quality. Extensive evaluations on commonsense reasoning, long-context QA, and text summarization demonstrate that DSLA-Serve yields 2.3x faster inference than Llama2-7B and 3.0x faster than the hybrid Zamba-7B, while retaining comparable performance across downstream tasks. Our ablation studies show that DSLA's dual states capture both global and local dependencies, addressing the historical-token underrepresentation seen in prior linear attentions. Codes are available at https://github.com/utnslab/DSLA-Serve.
♻ ☆ Graph-Convolutional-Beta-VAE for Synthetic Abdominal Aorta Aneurysm Generation
Synthetic data generation plays a crucial role in medical research by mitigating privacy concerns and enabling large-scale patient data analysis. This study presents a beta-Variational Autoencoder Graph Convolutional Neural Network framework for generating synthetic Abdominal Aorta Aneurysms (AAA). Using a small real-world dataset, our approach extracts key anatomical features and captures complex statistical relationships within a compact disentangled latent space. To address data limitations, low-impact data augmentation based on Procrustes analysis was employed, preserving anatomical integrity. The generation strategies, both deterministic and stochastic, manage to enhance data diversity while ensuring realism. Compared to PCA-based approaches, our model performs more robustly on unseen data by capturing complex, nonlinear anatomical variations. This enables more comprehensive clinical and statistical analyses than the original dataset alone. The resulting synthetic AAA dataset preserves patient privacy while providing a scalable foundation for medical research, device testing, and computational modeling.
comment: Typo in the title
♻ ☆ Achieving Unbiased Multi-Instance Learning via Balanced Fine-Grained Positive-Unlabeled Learning
In real-world applications, it is often challenging to detect anomalous samples when the anomalous information they contain is extremely limited. In such cases, both macro-level and micro-level detection using multi-instance learning (MIL) encounter significant difficulties. The former struggles because normal and anomalous samples are highly similar and hard to distinguish at the macro level, while the latter is limited by the lack of labels at the micro level. In MIL, micro-level labels are inferred from macro-level labels, which can lead to severe bias. Moreover, the more imbalanced the distribution between normal and anomalous samples, the more pronounced these limitations become. In this study, we observe that the MIL problem can be elegantly transformed into a fine-grained Positive-Unlabeled (PU) learning problem. This transformation allows us to address the imbalance issue in an unbiased manner using a micro-level balancing mechanism. To this end, we propose a novel framework-Balanced Fine-Grained Positive-Unlabeled (BFGPU)-based on rigorous theoretical foundations to address the challenges above. Extensive experiments on both public and real-world datasets demonstrate the effectiveness of BFGPU, which outperforms existing methods, even in extreme scenarios where both macro and micro-level distributions are highly imbalanced. The code is open-sourced at https://github.com/BFGPU/BFGPU.
♻ ☆ Fine-grained Analysis and Faster Algorithms for Iteratively Solving Linear Systems
Despite being a key bottleneck in many machine learning tasks, the cost of solving large linear systems has proven challenging to quantify due to problem-dependent quantities such as condition numbers. To tackle this, we consider a fine-grained notion of complexity for solving linear systems, which is motivated by applications where the data exhibits low-dimensional structure, including spiked covariance models and kernel machines, and when the linear system is explicitly regularized, such as ridge regression. Concretely, let $\kappa_\ell$ be the ratio between the $\ell$th largest and the smallest singular value of $n\times n$ matrix $A$. We give a stochastic algorithm based on the Sketch-and-Project paradigm, that solves the linear system $Ax = b$, that is, finds $\bar{x}$ such that $\|A\bar{x} - b\| \le \epsilon \|b\|$, in time $\bar O(\kappa_\ell\cdot n^2\log 1/\epsilon)$, for any $\ell = O(n^{0.729})$. This is a direct improvement over preconditioned conjugate gradient, and it provides a stronger separation between stochastic linear solvers and algorithms accessing $A$ only through matrix-vector products. Our main technical contribution is the new analysis of the first and second moments of the random projection matrix that arises in Sketch-and-Project.
♻ ☆ Lecture Video Visual Objects (LVVO) Dataset: A Benchmark for Visual Object Detection in Educational Videos
We introduce the Lecture Video Visual Objects (LVVO) dataset, a new benchmark for visual object detection in educational video content. The dataset consists of 4,000 frames extracted from 245 lecture videos spanning biology, computer science, and geosciences. A subset of 1,000 frames, referred to as LVVO_1k, has been manually annotated with bounding boxes for four visual categories: Table, Chart-Graph, Photographic-image, and Visual-illustration. Each frame was labeled independently by two annotators, resulting in an inter-annotator F1 score of 83.41%, indicating strong agreement. To ensure high-quality consensus annotations, a third expert reviewed and resolved all cases of disagreement through a conflict resolution process. To expand the dataset, a semi-supervised approach was employed to automatically annotate the remaining 3,000 frames, forming LVVO_3k. The complete dataset offers a valuable resource for developing and evaluating both supervised and semi-supervised methods for visual content detection in educational videos. The LVVO dataset is publicly available to support further research in this domain.
♻ ☆ ArrayDPS: Unsupervised Blind Speech Separation with a Diffusion Prior ICML2025
Blind Speech Separation (BSS) aims to separate multiple speech sources from audio mixtures recorded by a microphone array. The problem is challenging because it is a blind inverse problem, i.e., the microphone array geometry, the room impulse response (RIR), and the speech sources, are all unknown. We propose ArrayDPS to solve the BSS problem in an unsupervised, array-agnostic, and generative manner. The core idea builds on diffusion posterior sampling (DPS), but unlike DPS where the likelihood is tractable, ArrayDPS must approximate the likelihood by formulating a separate optimization problem. The solution to the optimization approximates room acoustics and the relative transfer functions between microphones. These approximations, along with the diffusion priors, iterate through the ArrayDPS sampling process and ultimately yield separated voice sources. We only need a simple single-speaker speech diffusion model as a prior along with the mixtures recorded at the microphones; no microphone array information is necessary. Evaluation results show that ArrayDPS outperforms all baseline unsupervised methods while being comparable to supervised methods in terms of SDR. Audio demos are provided at: https://arraydps.github.io/ArrayDPSDemo/.
comment: Paper Accepted at ICML2025 Demo: https://arraydps.github.io/ArrayDPSDemo/ Code: https://github.com/ArrayDPS/ArrayDPS
♻ ☆ MMedAgent-RL: Optimizing Multi-Agent Collaboration for Multimodal Medical Reasoning
Medical Large Vision-Language Models (Med-LVLMs) have shown strong potential in multimodal diagnostic tasks. However, existing single-agent models struggle to generalize across diverse medical specialties, limiting their performance. Recent efforts introduce multi-agent collaboration frameworks inspired by clinical workflows, where general practitioners (GPs) and specialists interact in a fixed sequence. Despite improvements, these static pipelines lack flexibility and adaptability in reasoning. To address this, we propose MMedAgent-RL, a reinforcement learning (RL)-based multi-agent framework that enables dynamic, optimized collaboration among medical agents. Specifically, we train two GP agents based on Qwen2.5-VL via RL: the triage doctor learns to assign patients to appropriate specialties, while the attending physician integrates the judgments from multi-specialists and its own knowledge to make final decisions. To address the inconsistency in specialist outputs, we introduce a curriculum learning (CL)-guided RL strategy that progressively teaches the attending physician to balance between imitating specialists and correcting their mistakes. Experiments on five medical VQA benchmarks demonstrate that MMedAgent-RL not only outperforms both open-source and proprietary Med-LVLMs, but also exhibits human-like reasoning patterns. Notably, it achieves an average performance gain of 20.7% over supervised fine-tuning baselines.
♻ ☆ Multi-Source Music Generation with Latent Diffusion
Most music generation models directly generate a single music mixture. To allow for more flexible and controllable generation, the Multi-Source Diffusion Model (MSDM) has been proposed to model music as a mixture of multiple instrumental sources (e.g. piano, drums, bass, and guitar). Its goal is to use one single diffusion model to generate mutually-coherent music sources, that are then mixed to form the music. Despite its capabilities, MSDM is unable to generate music with rich melodies and often generates empty sounds. Its waveform diffusion approach also introduces significant Gaussian noise artifacts that compromise audio quality. In response, we introduce a Multi-Source Latent Diffusion Model (MSLDM) that employs Variational Autoencoders (VAEs) to encode each instrumental source into a distinct latent representation. By training a VAE on all music sources, we efficiently capture each source's unique characteristics in a "source latent." The source latents are concatenated and our diffusion model learns this joint latent space. This approach significantly enhances the total and partial generation of music by leveraging the VAE's latent compression and noise-robustness. The compressed source latent also facilitates more efficient generation. Subjective listening tests and Frechet Audio Distance (FAD) scores confirm that our model outperforms MSDM, showcasing its practical and enhanced applicability in music generation systems. We also emphasize that modeling sources is more effective than direct music mixture modeling. Codes and models are available at https://github.com/XZWY/MSLDM. Demos are available at https://xzwy.github.io/MSLDMDemo/.
♻ ☆ Correlation-Aware Graph Convolutional Networks for Multi-Label Node Classification KDD2025
Multi-label node classification is an important yet under-explored domain in graph mining as many real-world nodes belong to multiple categories rather than just a single one. Although a few efforts have been made by utilizing Graph Convolution Networks (GCNs) to learn node representations and model correlations between multiple labels in the embedding space, they still suffer from the ambiguous feature and ambiguous topology induced by multiple labels, which reduces the credibility of the messages delivered in graphs and overlooks the label correlations on graph data. Therefore, it is crucial to reduce the ambiguity and empower the GCNs for accurate classification. However, this is quite challenging due to the requirement of retaining the distinctiveness of each label while fully harnessing the correlation between labels simultaneously. To address these issues, in this paper, we propose a Correlation-aware Graph Convolutional Network (CorGCN) for multi-label node classification. By introducing a novel Correlation-Aware Graph Decomposition module, CorGCN can learn a graph that contains rich label-correlated information for each label. It then employs a Correlation-Enhanced Graph Convolution to model the relationships between labels during message passing to further bolster the classification process. Extensive experiments on five datasets demonstrate the effectiveness of our proposed CorGCN.
comment: 12 pages, accepted by KDD2025
♻ ☆ OWLViz: An Open-World Benchmark for Visual Question Answering ICML 2025
We present a challenging benchmark for the Open WorLd VISual question answering (OWLViz) task. OWLViz presents concise, unambiguous queries that require integrating multiple capabilities, including visual understanding, web exploration, and specialized tool usage. While humans achieve 69.2% accuracy on these intuitive tasks, even state-of-the-art VLMs struggle, with the best model, Gemini 2.0, achieving only 26.6% accuracy. Current agentic VLMs, which rely on limited vision and vision-language models as tools, perform even worse. This performance gap reveals significant limitations in multimodal systems' ability to select appropriate tools and execute complex reasoning sequences, establishing new directions for advancing practical AI research.
comment: ICML 2025 Workshop on Multi-Agent Systems in the Era of Foundation Models: Opportunities, Challenges, and Futures. (8 pages + appendix)
♻ ☆ An Open-Source Software Toolkit & Benchmark Suite for the Evaluation and Adaptation of Multimodal Action Models ICML
Recent innovations in multimodal action models represent a promising direction for developing general-purpose agentic systems, combining visual understanding, language comprehension, and action generation. We introduce MultiNet - a novel, fully open-source benchmark and surrounding software ecosystem designed to rigorously evaluate and adapt models across vision, language, and action domains. We establish standardized evaluation protocols for assessing vision-language models (VLMs) and vision-language-action models (VLAs), and provide open source software to download relevant data, models, and evaluations. Additionally, we provide a composite dataset with over 1.3 trillion tokens of image captioning, visual question answering, commonsense reasoning, robotic control, digital game-play, simulated locomotion/manipulation, and many more tasks. The MultiNet benchmark, framework, toolkit, and evaluation harness have been used in downstream research on the limitations of VLA generalization.
comment: ICML CodeML Workshop, 13 Pages, 6 Figures, 2 Tables
♻ ☆ REAL-Prover: Retrieval Augmented Lean Prover for Mathematical Reasoning
Nowadays, formal theorem provers have made monumental progress on high-school and competition-level mathematics, but few of them generalize to more advanced mathematics. In this paper, we present REAL-Prover, a new open-source stepwise theorem prover for Lean 4 to push this boundary. This prover, based on our fine-tuned large language model (REAL-Prover-v1) and integrated with a retrieval system (Leansearch-PS), notably boosts performance on solving college-level mathematics problems. To train REAL-Prover-v1, we developed HERALD-AF, a data extraction pipeline that converts natural language math problems into formal statements, and a new open-source Lean 4 interactive environment (Jixia-interactive) to facilitate synthesis data collection. In our experiments, our prover using only supervised fine-tune achieves competitive results with a 23.7% success rate (Pass@64) on the ProofNet dataset-comparable to state-of-the-art (SOTA) models. To further evaluate our approach, we introduce FATE-M, a new benchmark focused on algebraic problems, where our prover achieves a SOTA success rate of 56.7% (Pass@64).
♻ ☆ Delving into Instance-Dependent Label Noise in Graph Data: A Comprehensive Study and Benchmark
Graph Neural Networks (GNNs) have achieved state-of-the-art performance in node classification tasks but struggle with label noise in real-world data. Existing studies on graph learning with label noise commonly rely on class-dependent label noise, overlooking the complexities of instance-dependent noise and falling short of capturing real-world corruption patterns. We introduce BeGIN (Benchmarking for Graphs with Instance-dependent Noise), a new benchmark that provides realistic graph datasets with various noise types and comprehensively evaluates noise-handling strategies across GNN architectures, noisy label detection, and noise-robust learning. To simulate instance-dependent corruptions, BeGIN introduces algorithmic methods and LLM-based simulations. Our experiments reveal the challenges of instance-dependent noise, particularly LLM-based corruption, and underscore the importance of node-specific parameterization to enhance GNN robustness. By comprehensively evaluating noise-handling strategies, BeGIN provides insights into their effectiveness, efficiency, and key performance factors. We expect that BeGIN will serve as a valuable resource for advancing research on label noise in graphs and fostering the development of robust GNN training methods. The code is available at https://github.com/kimsu55/BeGIN.
comment: 12 pages
♻ ☆ Benchmarking Vision, Language, & Action Models in Procedurally Generated, Open Ended Action Environments
Vision-language-action (VLA) models represent an important step toward general-purpose robotic systems by integrating visual perception, language understanding, and action execution. However, systematic evaluation of these models, particularly their zero-shot generalization capabilities in procedurally out-of-distribution (OOD) environments, remains limited. In this paper, we introduce MultiNet v0.2, a comprehensive benchmark designed to evaluate and analyze the generalization performance of state-of-the-art VLMs and VLAs - including GPT-4o, GPT-4.1, OpenVLA, Pi0 Base, and Pi0 FAST - on diverse procedural tasks from the Procgen benchmark. Our analysis reveals several critical insights: (1) all evaluated models exhibit significant limitations in zero-shot generalization to OOD tasks, with performance heavily influenced by factors such as action representation and task complexity; (2) VLAs generally outperforms other models due to their robust architectural design; and (3) VLM variants demonstrate substantial improvements when constrained appropriately, highlighting the sensitivity of model performance to precise prompt engineering. We release our benchmark, evaluation framework, and findings to enable the assessment of future VLA models and identify critical areas for improvement in their application to out-of-distribution digital tasks.
comment: 16 pages, 26 figures
On the Emergence of Position Bias in Transformers ICML 2025
Recent studies have revealed various manifestations of position bias in transformer architectures, from the "lost-in-the-middle" phenomenon to attention sinks, yet a comprehensive theoretical understanding of how attention masks and positional encodings shape these biases remains elusive. This paper presents a graph-theoretic framework for analyzing position bias in multi-layer attention. Modeling attention masks as directed graphs, we quantify how tokens interact with contextual information based on their sequential positions. We uncover two key insights: First, causal masking inherently biases attention toward earlier positions, as tokens in deeper layers attend to increasingly more contextualized representations of earlier tokens. Second, we characterize the competing effects of the causal mask and relative positional encodings, such as the decay mask and rotary positional encoding (RoPE): while both mechanisms introduce distance-based decay within individual attention maps, their aggregate effect across multiple attention layers$\unicode{x2013}$coupled with the causal mask$\unicode{x2013}$leads to a trade-off between the long-term decay effects and the cumulative importance of early sequence positions. Through controlled numerical experiments, we not only validate our theoretical findings but also reproduce position biases observed in real-world LLMs. Our framework offers a principled foundation for understanding positional biases in transformers, shedding light on the complex interplay of attention mechanism components and guiding more informed architectural design.
comment: ICML 2025
♻ ☆ Assessing Consistency and Reproducibility in the Outputs of Large Language Models: Evidence Across Diverse Finance and Accounting Tasks
This study provides the first comprehensive assessment of consistency and reproducibility in Large Language Model (LLM) outputs in finance and accounting research. We evaluate how consistently LLMs produce outputs given identical inputs through extensive experimentation with 50 independent runs across five common tasks: classification, sentiment analysis, summarization, text generation, and prediction. Using three OpenAI models (GPT-3.5-turbo, GPT-4o-mini, and GPT-4o), we generate over 3.4 million outputs from diverse financial source texts and data, covering MD&As, FOMC statements, finance news articles, earnings call transcripts, and financial statements. Our findings reveal substantial but task-dependent consistency, with binary classification and sentiment analysis achieving near-perfect reproducibility, while complex tasks show greater variability. More advanced models do not consistently demonstrate better consistency and reproducibility, with task-specific patterns emerging. LLMs significantly outperform expert human annotators in consistency and maintain high agreement even where human experts significantly disagree. We further find that simple aggregation strategies across 3-5 runs dramatically improve consistency. We also find that aggregation may come with an additional benefit of improved accuracy for sentiment analysis when using newer models. Simulation analysis reveals that despite measurable inconsistency in LLM outputs, downstream statistical inferences remain remarkably robust. These findings address concerns about what we term "G-hacking," the selective reporting of favorable outcomes from multiple Generative AI runs, by demonstrating that such risks are relatively low for finance and accounting tasks.
comment: 89 pages, 20 tables, 15 figures
♻ ☆ VideoPDE: Unified Generative PDE Solving via Video Inpainting Diffusion Models
We present a unified framework for solving partial differential equations (PDEs) using video-inpainting diffusion transformer models. Unlike existing methods that devise specialized strategies for either forward or inverse problems under full or partial observation, our approach unifies these tasks under a single, flexible generative framework. Specifically, we recast PDE-solving as a generalized inpainting problem, e.g., treating forward prediction as inferring missing spatiotemporal information of future states from initial conditions. To this end, we design a transformer-based architecture that conditions on arbitrary patterns of known data to infer missing values across time and space. Our method proposes pixel-space video diffusion models for fine-grained, high-fidelity inpainting and conditioning, while enhancing computational efficiency through hierarchical modeling. Extensive experiments show that our video inpainting-based diffusion model offers an accurate and versatile solution across a wide range of PDEs and problem setups, outperforming state-of-the-art baselines.
comment: Project page: https://videopde.github.io/
♻ ☆ A Unified Framework for Next-Gen Urban Forecasting via LLM-driven Dependency Retrieval and GeoTransformer
Urban forecasting has increasingly benefited from high-dimensional spatial data through two primary approaches: graph-based methods that rely on predefined spatial structures, and region-based methods that focus on learning expressive urban representations. Although these methods have laid a strong foundation, they either rely heavily on structured spatial data, struggle to adapt to task-specific dependencies, or fail to integrate holistic urban context. Moreover, no existing framework systematically integrates these two paradigms and overcomes their respective limitations. To address this gap, we propose a novel, unified framework for high-dimensional urban forecasting, composed of three key components: (1) the Urban Region Representation Module that organizes latent embeddings and semantic descriptions for each region, (2) the Task-aware Dependency Retrieval module that selects relevant context regions based on natural language prompts, and (3) the Prediction Module, exemplified by our proposed GeoTransformer architecture, which adopts a novel geospatial attention mechanism to incorporate spatial proximity and information entropy as priors. Our framework is modular, supports diverse representation methods and forecasting models, and can operate even with minimal input. Quantitative experiments and qualitative analysis across six urban forecasting tasks demonstrate strong task generalization and validate the framework's effectiveness.
♻ ☆ SAE-V: Interpreting Multimodal Models for Enhanced Alignment
With the integration of image modality, the semantic space of multimodal large language models (MLLMs) is more complex than text-only models, making their interpretability more challenging and their alignment less stable, particularly susceptible to low-quality data, which can lead to inconsistencies between modalities, hallucinations, and biased outputs. As a result, developing interpretability methods for MLLMs is crucial for improving alignment quality and efficiency. In text-only LLMs, Sparse Autoencoders (SAEs) have gained attention for their ability to interpret latent representations. However, extending SAEs to multimodal settings presents new challenges due to modality fusion and the difficulty of isolating cross-modal representations. To address these challenges, we introduce SAE-V, a mechanistic interpretability framework that extends the SAE paradigm to MLLMs. By identifying and analyzing interpretable features along with their corresponding data, SAE-V enables fine-grained interpretation of both model behavior and data quality, facilitating a deeper understanding of cross-modal interactions and alignment dynamics. Moreover, by utilizing cross-modal feature weighting, SAE-V provides an intrinsic data filtering mechanism to enhance model alignment without requiring additional models. Specifically, when applied to the alignment process of MLLMs, SAE-V-based data filtering methods could achieve more than 110% performance with less than 50% data. Our results highlight SAE-V's ability to enhance interpretability and alignment in MLLMs, providing insights into their internal mechanisms.
comment: 17 pages, 13 figures
♻ ☆ Spline Dimensional Decomposition with Interpolation-based Optimal Knot Selection for Stochastic Dynamic Analysis
Forward uncertainty quantification in dynamical systems is challenging due to non-smooth or locally oscillating nonlinear behaviors. Spline dimensional decomposition (SDD) addresses such nonlinearity by partitioning input coordinates via knot placement, but its accuracy is highly sensitive to internal knot locations. Optimizing knots using sequential quadratic programming is effective, yet computationally expensive. We propose a computationally efficient, interpolation-based method for optimal knot selection in SDD. The method includes: (1) interpolating input-output profiles, (2) defining subinterval-based reference regions, and (3) selecting knots at maximum gradient points within each region. The resulting knot vector is then applied to SDD for accurate approximation of non-smooth and oscillatory responses. A modal analysis of a lower control arm shows that SDD with the proposed knots yields higher accuracy than SDD with uniformly or randomly spaced knots and a Gaussian process model. In this example, the proposed SDD achieves the lowest relative variance error (2.89%) for the first natural frequency distribution, compared to uniformly spaced knots (12.310%), randomly spaced knots (15.274%), and Gaussian process (5.319%). All surrogates are constructed using the same 401 simulation datasets, and errors are evaluated against a 2000-sample Monte Carlo simulation. Scalability and applicability are demonstrated through stochastic and reliability analyses of one- and three-dimensional benchmark functions, and a ten-dimensional lower control arm model. Results confirm that second-moment statistics and reliability estimates can be accurately obtained with only a few hundred function evaluations or finite element simulations.
comment: 28 pages, 15 figures
♻ ☆ Faster Acceleration for Steepest Descent
Recent advances (Sherman, 2017; Sidford and Tian, 2018; Cohen et al., 2021) have overcome the fundamental barrier of dimension dependence in the iteration complexity of solving $\ell_\infty$ regression with first-order methods. Yet it remains unclear to what extent such acceleration can be achieved for general $\ell_p$ smooth functions. In this paper, we propose a new accelerated first-order method for convex optimization under non-Euclidean smoothness assumptions. In contrast to standard acceleration techniques, our approach uses primal-dual iterate sequences taken with respect to $\textit{differing}$ norms, which are then coupled using an $\textit{implicitly}$ determined interpolation parameter. For $\ell_p$ norm smooth problems in $d$ dimensions, our method provides an iteration complexity improvement of up to $O(d^{1-\frac{2}{p}})$ in terms of calls to a first-order oracle, thereby allowing us to circumvent long-standing barriers in accelerated non-Euclidean steepest descent.
comment: Published in The 38th Annual Conference on Learning Theory (COLT 2025)
♻ ☆ Configuration Interaction Guided Sampling with Interpretable Restricted Boltzmann Machine
We propose a data-driven approach using a Restricted Boltzmann Machine (RBM) to solve the Schr\"odinger equation in configuration space. Traditional Configuration Interaction (CI) methods construct the wavefunction as a linear combination of Slater determinants, but this becomes computationally expensive due to the factorial growth in the number of configurations. Our approach extends the use of a generative model such as the RBM by incorporating a taboo list strategy to enhance efficiency and convergence. The RBM is used to efficiently identify and sample the most significant determinants, thus accelerating convergence and substantially reducing computational cost. This method achieves up to 99.99% of the correlation energy while using up to four orders of magnitude fewer determinants compared to full CI calculations and up to two orders of magnitude fewer than previous state of the art methods. Beyond efficiency, our analysis reveals that the RBM learns electron distributions over molecular orbitals by capturing quantum patterns that resemble Radial Distribution Functions (RDFs) linked to molecular bonding. This suggests that the learned pattern is interpretable, highlighting the potential of machine learning for explainable quantum chemistry
comment: This version has been submitted to Machine Learning: Science and Technology, IOP Publishing, for peer review
♻ ☆ DMM: Distributed Matrix Mechanism for Differentially-Private Federated Learning Based on Constant-Overhead Linear Secret Resharing ICML
Federated Learning (FL) solutions with central Differential Privacy (DP) have seen large improvements in their utility in recent years arising from the matrix mechanism, while FL solutions with distributed (more private) DP have lagged behind. In this work, we introduce the distributed matrix mechanism to achieve the best-of-both-worlds; better privacy of distributed DP and better utility from the matrix mechanism. We accomplish this using a novel cryptographic protocol that securely transfers sensitive values across client committees of different training iterations with constant communication overhead. This protocol accommodates the dynamic participation of users required by FL, including those that may drop out from the computation. We provide experiments which show that our mechanism indeed significantly improves the utility of FL models compared to previous distributed DP mechanisms, with little added overhead.
comment: International Conference on Machine Learning (ICML), 2025
♻ ☆ PerturBench: Benchmarking Machine Learning Models for Cellular Perturbation Analysis
We introduce a comprehensive framework for perturbation response modeling in single cells, aimed at standardizing benchmarking in this rapidly evolving field. Our approach includes a modular and user-friendly model development and evaluation platform, a collection of diverse perturbational datasets, and a set of metrics designed to fairly compare models and dissect their performance nuances. Through extensive evaluation of both published and baseline models across diverse datasets, we highlight the limitations of widely used models, such as mode collapse. We also demonstrate the importance of rank metrics which complement traditional model fit measures, such as RMSE, for validating model effectiveness. Notably, our results show that while no single model architecture clearly outperforms others, simpler architectures are generally competitive and scale well with larger datasets. Overall, this benchmarking exercise sets new standards for model evaluation, supports robust model development, and advances the potential of these models to use high-throughput genetic and chemical screens for disease target discovery.
comment: 10 pages plus 20 pages supplementary material. Code is available at https://github.com/altoslabs/perturbench
♻ ☆ FSL-SAGE: Accelerating Federated Split Learning via Smashed Activation Gradient Estimation ICML 2025
Collaborative training methods like Federated Learning (FL) and Split Learning (SL) enable distributed machine learning without sharing raw data. However, FL assumes clients can train entire models, which is infeasible for large-scale models. In contrast, while SL alleviates the client memory constraint in FL by offloading most training to the server, it increases network latency due to its sequential nature. Other methods address the conundrum by using local loss functions for parallel client-side training to improve efficiency, but they lack server feedback and potentially suffer poor accuracy. We propose FSL-SAGE (Federated Split Learning via Smashed Activation Gradient Estimation), a new federated split learning algorithm that estimates server-side gradient feedback via auxiliary models. These auxiliary models periodically adapt to emulate server behavior on local datasets. We show that FSL-SAGE achieves a convergence rate of $\mathcal{O}(1/\sqrt{T})$, where $T$ is the number of communication rounds. This result matches FedAvg, while significantly reducing communication costs and client memory requirements. Our empirical results also verify that it outperforms existing state-of-the-art FSL methods, offering both communication efficiency and accuracy.
comment: Accepted for poster presentation at ICML 2025, 23 pages, 14 figures
♻ ☆ Generalizing Deep Surrogate Solvers for Broadband Electromagnetic Field Prediction at Unseen Wavelengths
Recently, electromagnetic surrogate solvers, trained on solutions of Maxwell's equations under specific simulation conditions, enabled fast inference of computationally expensive simulations. However, conventional electromagnetic surrogate solvers often consider only a narrow range of spectrum and fail when encountering even slight variations in simulation conditions. To address this limitation, we define spectral consistency as the property by which the spatial frequency structure of wavelength-dependent condition embeddings matches that of the target electromagnetic field patterns. In addition, we propose two complementary components: a refined wave prior, which is the condition embedding that satisfies spectral consistency, and Wave-Informed element-wise Multiplicative Encoding (WIME), which integrates these embeddings throughout the model while preserving spectral consistency. This framework enables accurate field prediction across the broadband spectrum, including untrained intermediate wavelengths. Our approach reduces the normalized mean squared error at untrained wavelengths by up to 71% compared to the state-of-the-art electromagnetic surrogate solver and achieves a speedup of over 42 times relative to conventional numerical simulations.
comment: 21 pages, 5 figures, 2 tables
♻ ☆ Informed Correctors for Discrete Diffusion Models
Discrete diffusion has emerged as a powerful framework for generative modeling in discrete domains, yet efficiently sampling from these models remains challenging. Existing sampling strategies often struggle to balance computation and sample quality when the number of sampling steps is reduced, even when the model has learned the data distribution well. To address these limitations, we propose a predictor-corrector sampling scheme where the corrector is informed by the diffusion model to more reliably counter the accumulating approximation errors. To further enhance the effectiveness of our informed corrector, we introduce complementary architectural modifications based on hollow transformers and a simple tailored training objective that leverages more training signal. We use a synthetic example to illustrate the failure modes of existing samplers and show how informed correctors alleviate these problems. On the text8 and tokenized ImageNet 256x256 datasets, our informed corrector consistently produces superior samples with fewer errors or improved FID scores for discrete diffusion models. These results underscore the potential of informed correctors for fast and high-fidelity generation using discrete diffusion.
EXGRA-MED: Extended Context Graph Alignment for Medical Vision- Language Models
State-of-the-art medical multi-modal LLMs (med-MLLMs), such as LLAVA-MED and BIOMEDGPT, primarily depend on scaling model size and data volume, with training driven largely by autoregressive objectives. However, we reveal that this approach can lead to weak vision-language alignment, making these models overly dependent on costly instruction-following data. To address this, we introduce EXGRA-MED, a novel multi-graph alignment framework that jointly aligns images, instruction responses, and extended captions in the latent space, advancing semantic grounding and cross-modal coherence. To scale to large LLMs (e.g., LLaMa-7B), we develop an efficient end-to-end training scheme using black-box gradient estimation, enabling fast and scalable optimization. Empirically, EXGRA-MED matches LLAVA-MED's performance using just 10% of pre-training data, achieving a 20.13% gain on VQA-RAD and approaching full-data performance. It also outperforms strong baselines like BIOMEDGPT and RADFM on visual chatbot and zero-shot classification tasks, demonstrating its promise for efficient, high-quality vision-language integration in medical AI.
comment: Version 2
♻ ☆ A Semi-Supervised Approach for Abnormal Event Prediction on Large Operational Network Time-Series Data
Large network logs, recording multivariate time series generated from heterogeneous devices and sensors in a network, can often reveal important information about abnormal activities, such as network intrusions and device malfunctions. Existing machine learning methods for anomaly detection on multivariate time series typically assume that 1) normal sequences would have consistent behavior for training unsupervised models, or 2) require a large set of labeled normal and abnormal sequences for supervised models. However, in practice, normal network activities can demonstrate significantly varying sequence patterns (e.g., before and after rerouting partial network traffic). Also, the recorded abnormal events can be sparse. This paper presents a novel semi-supervised method that efficiently captures dependencies between network time series and across time points to generate meaningful representations of network activities for predicting abnormal events. The method can use the limited labeled data to explicitly learn separable embedding space for normal and abnormal samples and effectively leverage unlabeled data to handle training data scarcity. The experiments demonstrate that our approach significantly outperformed state-of-the-art approaches for event detection on a large real-world network log.
comment: Published in IEEE BigData2022
♻ ☆ DreamGen: Unlocking Generalization in Robot Learning through Video World Models
We introduce DreamGen, a simple yet highly effective 4-stage pipeline for training robot policies that generalize across behaviors and environments through neural trajectories - synthetic robot data generated from video world models. DreamGen leverages state-of-the-art image-to-video generative models, adapting them to the target robot embodiment to produce photorealistic synthetic videos of familiar or novel tasks in diverse environments. Since these models generate only videos, we recover pseudo-action sequences using either a latent action model or an inverse-dynamics model (IDM). Despite its simplicity, DreamGen unlocks strong behavior and environment generalization: a humanoid robot can perform 22 new behaviors in both seen and unseen environments, while requiring teleoperation data from only a single pick-and-place task in one environment. To evaluate the pipeline systematically, we introduce DreamGen Bench, a video generation benchmark that shows a strong correlation between benchmark performance and downstream policy success. Our work establishes a promising new axis for scaling robot learning well beyond manual data collection. Code available at https://github.com/NVIDIA/GR00T-Dreams.
comment: See website for videos: https://research.nvidia.com/labs/gear/dreamgen
♻ ☆ Representations Shape Weak-to-Strong Generalization: Theoretical Insights and Empirical Predictions
Weak-to-Strong Generalization (W2SG), where a weak model supervises a stronger one, serves as an important analogy for understanding how humans might guide superhuman intelligence in the future. Promising empirical results revealed that a strong model can surpass its weak supervisor. While recent work has offered theoretical insights into this phenomenon, a clear understanding of the interactions between weak and strong models that drive W2SG remains elusive. We investigate W2SG through a theoretical lens and show that it can be characterized using kernels derived from the principal components of weak and strong models' internal representations. These kernels can be used to define a space that, at a high level, captures what the weak model is unable to learn but is learnable by the strong model. The projection of labels onto this space quantifies how much the strong model falls short of its full potential due to weak supervision. This characterization also provides insights into how certain errors in weak supervision can be corrected by the strong model, regardless of overfitting. Our theory has significant practical implications, providing a representation-based metric that predicts W2SG performance trends without requiring labels, as shown in experiments on molecular predictions with transformers and 5 NLP tasks involving 52 LLMs.
♻ ☆ Solving High-Dimensional Partial Integral Differential Equations: The Finite Expression Method
In this paper, we introduce a new finite expression method (FEX) to solve high-dimensional partial integro-differential equations (PIDEs). This approach builds upon the original FEX and its inherent advantages with new advances: 1) A novel method of parameter grouping is proposed to reduce the number of coefficients in high-dimensional function approximation; 2) A Taylor series approximation method is implemented to significantly improve the computational efficiency and accuracy of the evaluation of the integral terms of PIDEs. The new FEX based method, denoted FEX-PG to indicate the addition of the parameter grouping (PG) step to the algorithm, provides both high accuracy and interpretable numerical solutions, with the outcome being an explicit equation that facilitates intuitive understanding of the underlying solution structures. These features are often absent in traditional methods, such as finite element methods (FEM) and finite difference methods, as well as in deep learning-based approaches. To benchmark our method against recent advances, we apply the new FEX-PG to solve benchmark PIDEs in the literature. In high-dimensional settings, FEX-PG exhibits strong and robust performance, achieving relative errors on the order of single precision machine epsilon.
comment: 19 pages, 11 figures
♻ ☆ Optimal Scheduling of Dynamic Transport
Flow-based methods for sampling and generative modeling use continuous-time dynamical systems to represent a {transport map} that pushes forward a source measure to a target measure. The introduction of a time axis provides considerable design freedom, and a central question is how to exploit this freedom. Though many popular methods seek straight line (i.e., zero acceleration) trajectories, we show here that a specific class of ``curved'' trajectories can significantly improve approximation and learning. In particular, we consider the unit-time interpolation of any given transport map $T$ and seek the schedule $\tau: [0,1] \to [0,1]$ that minimizes the spatial Lipschitz constant of the corresponding velocity field over all times $t \in [0,1]$. This quantity is crucial as it allows for control of the approximation error when the velocity field is learned from data. We show that, for a broad class of source/target measures and transport maps $T$, the \emph{optimal schedule} can be computed in closed form, and that the resulting optimal Lipschitz constant is \emph{exponentially smaller} than that induced by an identity schedule (corresponding to, for instance, the Wasserstein geodesic). Our proof technique relies on the calculus of variations and $\Gamma$-convergence, allowing us to approximate the aforementioned degenerate objective by a family of smooth, tractable problems.
♻ ☆ ShortcutProbe: Probing Prediction Shortcuts for Learning Robust Models IJCAI 2025
Deep learning models often achieve high performance by inadvertently learning spurious correlations between targets and non-essential features. For example, an image classifier may identify an object via its background that spuriously correlates with it. This prediction behavior, known as spurious bias, severely degrades model performance on data that lacks the learned spurious correlations. Existing methods on spurious bias mitigation typically require a variety of data groups with spurious correlation annotations called group labels. However, group labels require costly human annotations and often fail to capture subtle spurious biases such as relying on specific pixels for predictions. In this paper, we propose a novel post hoc spurious bias mitigation framework without requiring group labels. Our framework, termed ShortcutProbe, identifies prediction shortcuts that reflect potential non-robustness in predictions in a given model's latent space. The model is then retrained to be invariant to the identified prediction shortcuts for improved robustness. We theoretically analyze the effectiveness of the framework and empirically demonstrate that it is an efficient and practical tool for improving a model's robustness to spurious bias on diverse datasets.
comment: Accepted to IJCAI 2025
♻ ☆ Data Distributional Properties As Inductive Bias for Systematic Generalization CVPR 2025
Deep neural networks (DNNs) struggle at systematic generalization (SG). Several studies have evaluated the possibility to promote SG through the proposal of novel architectures, loss functions or training methodologies. Few studies, however, have focused on the role of training data properties in promoting SG. In this work, we investigate the impact of certain data distributional properties, as inductive biases for the SG ability of a multi-modal language model. To this end, we study three different properties. First, data diversity, instantiated as an increase in the possible values a latent property in the training distribution may take. Second, burstiness, where we probabilistically restrict the number of possible values of latent factors on particular inputs during training. Third, latent intervention, where a particular latent factor is altered randomly during training. We find that all three factors significantly enhance SG, with diversity contributing an 89% absolute increase in accuracy in the most affected property. Through a series of experiments, we test various hypotheses to understand why these properties promote SG. Finally, we find that Normalized Mutual Information (NMI) between latent attributes in the training distribution is strongly predictive of out-of-distribution generalization. We find that a mechanism by which lower NMI induces SG is in the geometry of representations. In particular, we find that NMI induces more parallelism in neural representations (i.e., input features coded in parallel neural vectors) of the model, a property related to the capacity of reasoning by analogy.
comment: CVPR 2025
♻ ☆ VeriLeaky: Navigating IP Protection vs Utility in Fine-Tuning for LLM-Driven Verilog Coding
Large language models (LLMs) offer significant potential for coding, yet fine-tuning (FT) with curated data is essential for niche languages like Verilog. Using proprietary intellectual property (IP) for FT presents a serious risk, as FT data can be leaked through LLM inference. This leads to a critical dilemma for design houses: seeking to build externally accessible LLMs offering competitive Verilog coding, how can they leverage in-house IP to enhance FT utility while ensuring IP protection? For the first time in the literature, we study this dilemma. Using LLaMA 3.1-8B, we conduct in-house FT on a baseline Verilog dataset (RTLCoder) supplemented with our own in-house IP, which is validated through multiple tape-outs. To rigorously assess IP leakage, we quantify structural similarity (AST/Dolos) and functional equivalence (Synopsys Formality) between generated codes and our in-house IP. We show that our IP can indeed be leaked, confirming the threat. As defense, we evaluate logic locking of Verilog codes (ASSURE). This offers some level of protection, yet reduces the IP's utility for FT and degrades the LLM's performance. Our study shows the need for novel strategies that are both effective and minimally disruptive to FT, an essential effort for enabling design houses to fully utilize their proprietary IP toward LLM-driven Verilog coding.
♻ ☆ Optimal Transport for Probabilistic Circuits
We introduce a novel optimal transport framework for probabilistic circuits (PCs). While it has been shown recently that divergences between distributions represented as certain classes of PCs can be computed tractably, to the best of our knowledge, there is no existing approach to compute the Wasserstein distance between probability distributions given by PCs. We propose a Wasserstein-type distance that restricts the coupling measure of the associated optimal transport problem to be a probabilistic circuit. We then develop an algorithm for computing this distance by solving a series of small linear programs and derive the circuit conditions under which this is tractable. Furthermore, we show that we can easily retrieve the optimal transport plan between the PCs from the solutions to these linear programs. Lastly, we study the empirical Wasserstein distance between a PC and a dataset, and show that we can estimate the PC parameters to minimize this distance through an efficient iterative algorithm.
♻ ☆ Hierarchical Multi-Positive Contrastive Learning for Patent Image Retrieval
Patent images are technical drawings that convey information about a patent's innovation. Patent image retrieval systems aim to search in vast collections and retrieve the most relevant images. Despite recent advances in information retrieval, patent images still pose significant challenges due to their technical intricacies and complex semantic information, requiring efficient fine-tuning for domain adaptation. Current methods neglect patents' hierarchical relationships, such as those defined by the Locarno International Classification (LIC) system, which groups broad categories (e.g., "furnishing") into subclasses (e.g., "seats" and "beds") and further into specific patent designs. In this work, we introduce a hierarchical multi-positive contrastive loss that leverages the LIC's taxonomy to induce such relations in the retrieval process. Our approach assigns multiple positive pairs to each patent image within a batch, with varying similarity scores based on the hierarchical taxonomy. Our experimental analysis with various vision and multimodal models on the DeepPatent2 dataset shows that the proposed method enhances the retrieval results. Notably, our method is effective with low-parameter models, which require fewer computational resources and can be deployed on environments with limited hardware.
comment: 5 pages, 3 figures, Accepted as a short paper at the 6th Workshop on Patent Text Mining and Semantic Technologies (PatentSemTech 2025), co-located with SIGIR 2025
♻ ☆ Resolving UnderEdit & OverEdit with Iterative & Neighbor-Assisted Model Editing
Large Language Models (LLMs) are widely deployed in downstream tasks, but keeping their knowledge up-to-date via retraining or fine-tuning is often computationally expensive. Model editing provides a more efficient alternative by updating a targeted subset of parameters, which often follows the locate-and-edit paradigm. Despite this efficiency, existing methods are limited: edits may fail to inject knowledge (UnderEdit) or unintentionally disrupt unrelated neighboring knowledge (OverEdit). To address these challenges, we propose two complementary methods: iterative model editing, which applies successive edits to mitigate UnderEdit, and neighbor-assisted model editing, which incorporates neighboring knowledge during editing to reduce OverEdit. Our extensive experiments show that these techniques improve editing performance across multiple LLMs, algorithms, and benchmarks, reducing UnderEdit by up to 38 percentage points and OverEdit by up to 6, while remaining broadly applicable to any locate-and-edit method.
comment: Under Review
♻ ☆ Sparsity-Based Interpolation of External, Internal and Swap Regret
Focusing on the expert problem in online learning, this paper studies the interpolation of several performance metrics via $\phi$-regret minimization, which measures the total loss of an algorithm by its regret with respect to an arbitrary action modification rule $\phi$. With $d$ experts and $T\gg d$ rounds in total, we present a single algorithm achieving the instance-adaptive $\phi$-regret bound \begin{equation*} \tilde O\left(\min\left\{\sqrt{d-d^{\mathrm{unif}}_\phi+1},\sqrt{d-d^{\mathrm{self}}_\phi}\right\}\cdot\sqrt{T}\right), \end{equation*} where $d^{\mathrm{unif}}_\phi$ is the maximum amount of experts modified identically by $\phi$, and $d^{\mathrm{self}}_\phi$ is the amount of experts that $\phi$ trivially modifies to themselves. By recovering the optimal $O(\sqrt{T\log d})$ external regret bound when $d^{\mathrm{unif}}_\phi=d$, the standard $\tilde O(\sqrt{T})$ internal regret bound when $d^{\mathrm{self}}_\phi=d-1$ and the optimal $\tilde O(\sqrt{dT})$ swap regret bound in the worst case, we improve upon existing algorithms in the intermediate regimes. In addition, the computational complexity of our algorithm matches that of the standard swap-regret minimization algorithm due to (Blum and Mansour, 2007). Technically, building on the well-known reduction from $\phi$-regret minimization to external regret minimization on stochastic matrices, our main idea is to further convert the latter to online linear regression using Haar-wavelet-inspired matrix features. Then, by associating the complexity of each $\phi$ instance with its sparsity under the feature representation, we apply techniques from comparator-adaptive online learning to exploit the sparsity in this regression subroutine.
comment: COLT 2025. Equal contribution, alphabetical order
♻ ☆ Probing Quantum Spin Systems with Kolmogorov-Arnold Neural Network Quantum States
Neural Quantum States (NQS) are a class of variational wave functions parametrized by neural networks (NNs) to study quantum many-body systems. In this work, we propose \texttt{SineKAN}, a NQS \textit{ansatz} based on Kolmogorov-Arnold Networks (KANs), to represent quantum mechanical wave functions as nested univariate functions. We show that \texttt{SineKAN} wavefunction with learnable sinusoidal activation functions can capture the ground state energies, fidelities and various correlation functions of the one dimensional Transverse-Field Ising model, Anisotropic Heisenberg model, and Antiferromagnetic $J_{1}-J_{2}$ model with different chain lengths. In our study of the $J_1-J_2$ model with $L=100$ sites, we find that the \texttt{SineKAN} model outperforms several previously explored neural quantum state \textit{ans\"atze}, including Restricted Boltzmann Machines (RBMs), Long Short-Term Memory models (LSTMs), and Feed-Forward Neural Networks (FFNN), when compared to the results obtained from the Density Matrix Renormalization Group (DMRG) algorithm. We find that \texttt{SineKAN} models can be trained to high precisions and accuracies with minimal computational costs.
comment: 16 pages, 13 figures
♻ ☆ Too Big to Think: Capacity, Memorization, and Generalization in Pre-Trained Transformers
The relationship between memorization and generalization in large language models (LLMs) remains an open area of research, with growing evidence that the two are deeply intertwined. In this work, we investigate this relationship by pre-training a series of capacity-limited Transformer models from scratch on two synthetic character-level tasks designed to separately probe generalization (via arithmetic extrapolation) and memorization (via factual recall). We observe a consistent trade-off: small models extrapolate to unseen arithmetic cases but fail to memorize facts, while larger models memorize but fail to extrapolate. An intermediate-capacity model exhibits a similar shift toward memorization. When trained on both tasks jointly, no model (regardless of size) succeeds at extrapolation. These findings suggest that pre-training may intrinsically favor one learning mode over the other. By isolating these dynamics in a controlled setting, our study offers insight into how model capacity shapes learning behavior and offers broader implications for the design and deployment of small language models.
comment: Accepted for oral presentation to Tiny Titans: The next wave of On-Device Learning for Foundational Models Workshop at the 42nd International Conference on Machine Learning
♻ ☆ Multi-Task Reward Learning from Human Ratings
Reinforcement learning from human feedback (RLHF) has become a key factor in aligning model behavior with users' goals. However, while humans integrate multiple strategies when making decisions, current RLHF approaches often simplify this process by modeling human reasoning through isolated tasks such as classification or regression. In this paper, we propose a novel reinforcement learning (RL) method that mimics human decision-making by jointly considering multiple tasks. Specifically, we leverage human ratings in reward-free environments to infer a reward function, introducing learnable weights that balance the contributions of both classification and regression models. This design captures the inherent uncertainty in human decision-making and allows the model to adaptively emphasize different strategies. We conduct several experiments using synthetic human ratings to validate the effectiveness of the proposed approach. Results show that our method consistently outperforms existing rating-based RL methods, and in some cases, even surpasses traditional RL approaches.
comment: Accepted to the workshop on Models of Human Feedback for AI Alignment at the 42nd International Conference on Machine Learning
♻ ☆ From Street Views to Urban Science: Discovering Road Safety Factors with Multimodal Large Language Models
Urban and transportation research has long sought to uncover statistically meaningful relationships between key variables and societal outcomes such as road safety, to generate actionable insights that guide the planning, development, and renewal of urban and transportation systems. However, traditional workflows face several key challenges: (1) reliance on human experts to propose hypotheses, which is time-consuming and prone to confirmation bias; (2) limited interpretability, particularly in deep learning approaches; and (3) underutilization of unstructured data that can encode critical urban context. Given these limitations, we propose a Multimodal Large Language Model (MLLM)-based approach for interpretable hypothesis inference, enabling the automated generation, evaluation, and refinement of hypotheses concerning urban context and road safety outcomes. Our method leverages MLLMs to craft safety-relevant questions for street view images (SVIs), extract interpretable embeddings from their responses, and apply them in regression-based statistical models. UrbanX supports iterative hypothesis testing and refinement, guided by statistical evidence such as coefficient significance, thereby enabling rigorous scientific discovery of previously overlooked correlations between urban design and safety. Experimental evaluations on Manhattan street segments demonstrate that our approach outperforms pretrained deep learning models while offering full interpretability. Beyond road safety, UrbanX can serve as a general-purpose framework for urban scientific discovery, extracting structured insights from unstructured urban data across diverse socioeconomic and environmental outcomes. This approach enhances model trustworthiness for policy applications and establishes a scalable, statistically grounded pathway for interpretable knowledge discovery in urban and transportation studies.
♻ ☆ Categorical Schrödinger Bridge Matching
The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space $\mathbb{R}^{D}$ and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces $\mathbb{S}^{D}$. Notable examples of such sets $\mathbb{S}$ are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB, which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images. The code of CSBM is available at https://github.com/gregkseno/csbm.
♻ ☆ Distributionally-Constrained Adversaries in Online Learning
There has been much recent interest in understanding the continuum from adversarial to stochastic settings in online learning, with various frameworks including smoothed settings proposed to bridge this gap. We consider the more general and flexible framework of distributionally constrained adversaries in which instances are drawn from distributions chosen by an adversary within some constrained distribution class [RST11]. Compared to smoothed analysis, we consider general distributional classes which allows for a fine-grained understanding of learning settings between fully stochastic and fully adversarial for which a learner can achieve non-trivial regret. We give a characterization for which distribution classes are learnable in this context against both oblivious and adaptive adversaries, providing insights into the types of interplay between the function class and distributional constraints on adversaries that enable learnability. In particular, our results recover and generalize learnability for known smoothed settings. Further, we show that for several natural function classes including linear classifiers, learning can be achieved without any prior knowledge of the distribution class -- in other words, a learner can simultaneously compete against any constrained adversary within learnable distribution classes.
Genomics 3
☆ BMFM-RNA: An Open Framework for Building and Evaluating Transcriptomic Foundation Models
Transcriptomic foundation models (TFMs) have recently emerged as powerful tools for analyzing gene expression in cells and tissues, supporting key tasks such as cell-type annotation, batch correction, and perturbation prediction. However, the diversity of model implementations and training strategies across recent TFMs, though promising, makes it challenging to isolate the contribution of individual design choices or evaluate their potential synergies. This hinders the field's ability to converge on best practices and limits the reproducibility of insights across studies. We present BMFM-RNA, an open-source, modular software package that unifies diverse TFM pretraining and fine-tuning objectives within a single framework. Leveraging this capability, we introduce a novel training objective, whole cell expression decoder (WCED), which captures global expression patterns using an autoencoder-like CLS bottleneck representation. In this paper, we describe the framework, supported input representations, and training objectives. We evaluated four model checkpoints pretrained on CELLxGENE using combinations of masked language modeling (MLM), WCED and multitask learning. Using the benchmarking capabilities of BMFM-RNA, we show that WCED-based models achieve performance that matches or exceeds state-of-the-art approaches like scGPT across more than a dozen datasets in both zero-shot and fine-tuning tasks. BMFM-RNA, available as part of the biomed-multi-omics project ( https://github.com/BiomedSciAI/biomed-multi-omic ), offers a reproducible foundation for systematic benchmarking and community-driven exploration of optimal TFM training strategies, enabling the development of more effective tools to leverage the latest advances in AI for understanding cell biology.
♻ ☆ Approaches to studying virus pangenome variation graphs
Pangenome variation graphs (PVGs) allow for the representation of genetic diversity in a more nuanced way than traditional reference-based approaches. Here we focus on how PVGs are a powerful tool for studying genetic variation in viruses, offering insights into the complexities of viral quasispecies, mutation rates, and population dynamics. PVGs originated in human genomics and hold great promise for viral genomics. Previous work has been constrained by small sample sizes and gene-centric methods, PVGs enable a more comprehensive approach to studying viral diversity. Large viral genome collections should be used to make PVGs, which offer significant advantages: we outline accessible tools to achieve this. This spans PVG construction, PVG file formats, PVG manipulation and analysis, PVG visualisation, measuring PVG openness, and mapping reads to PVGs. Additionally, the development of PVG-specific formats for mutation representation and personalised PVGs that reflect specific research questions will further enhance PVG applications. Challenges remain, particularly in managing nested variants, optimising error detection, optimising k-mer/minimizer-based approaches for AT-rich genomes, incorporating long read sequencing data, and scalable visualisation approaches. Nevertheless, PVGs offer a new opportunities for viral population genomics, and a testing ground for tool development prior to application to larger eukaryotic genomes. These advances will enable more accurate and comprehensive detection of viral mutations, contributing to a deeper understanding of viral evolution and genotype-phenotype associations.
comment: 3 figures
♻ ☆ PerturBench: Benchmarking Machine Learning Models for Cellular Perturbation Analysis
We introduce a comprehensive framework for perturbation response modeling in single cells, aimed at standardizing benchmarking in this rapidly evolving field. Our approach includes a modular and user-friendly model development and evaluation platform, a collection of diverse perturbational datasets, and a set of metrics designed to fairly compare models and dissect their performance nuances. Through extensive evaluation of both published and baseline models across diverse datasets, we highlight the limitations of widely used models, such as mode collapse. We also demonstrate the importance of rank metrics which complement traditional model fit measures, such as RMSE, for validating model effectiveness. Notably, our results show that while no single model architecture clearly outperforms others, simpler architectures are generally competitive and scale well with larger datasets. Overall, this benchmarking exercise sets new standards for model evaluation, supports robust model development, and advances the potential of these models to use high-throughput genetic and chemical screens for disease target discovery.
comment: 10 pages plus 20 pages supplementary material. Code is available at https://github.com/altoslabs/perturbench
Quantitative Methods 6
☆ Leveraging Transfer Learning and User-Specific Updates for Rapid Training of BCI Decoders
Lengthy subject- or session-specific data acquisition and calibration remain a key barrier to deploying electroencephalography (EEG)-based brain-computer interfaces (BCIs) outside the laboratory. Previous work has shown that cross subject, cross-session invariant features exist in EEG. We propose a transfer learning pipeline based on a two-layer convolutional neural network (CNN) that leverages these invariants to reduce the burden of data acquisition and calibration. A baseline model is trained on EEG data from five able-bodied individuals and then rapidly updated with a small amount of data from a sixth, holdout subject. The remaining holdout data were used to test the performance of both the baseline and updated models. We repeated this procedure via a leave-one-subject out (LOSO) validation framework. Averaged over six LOSO folds, the updated model improved classification accuracy upon the baseline by 10.0, 18.8, and 22.1 percentage points on two binary and one ternary classification tasks, respectively. These results demonstrate that decoding accuracy can be substantially improved with minimal subject-specific data. They also indicate that a CNN-based decoder can be personalized rapidly, enabling near plug-and-play BCI functionality for neurorehabilitation and other time-critical EEG applications.
comment: 6 page conference proceeding preprint
☆ A Robust Nonparametric Framework for Detecting Repeated Spatial Patterns
Identifying spatially contiguous clusters and repeated spatial patterns (RSP) characterized by similar underlying distributions that are spatially apart is a key challenge in modern spatial statistics. Existing constrained clustering methods enforce spatial contiguity but are limited in their ability to identify RSP. We propose a novel nonparametric framework that addresses this limitation by combining constrained clustering with a post-clustering reassigment step based on the maximum mean discrepancy (MMD) statistic. We employ a block permutation strategy within each cluster that preserves local attribute structure when approximating the null distribution of the MMD. We also show that the MMD$^2$ statistic is asymptotically consistent under second-order stationarity and spatial mixing conditions. This two-stage approach enables the detection of clusters that are both spatially distant and similar in distribution. Through simulation studies that vary spatial dependence, cluster sizes, shapes, and multivariate dimensionality, we demonstrate the robustness of our proposed framework in detecting RSP. We further illustrate its applicability through an analysis of spatial proteomics data from patients with triple-negative breast cancer. Overall, our framework presents a methodological advancement in spatial clustering, offering a flexible and robust solution for spatial datasets that exhibit repeated patterns.
comment: 39 pages including an Appendix of 17 pages, 39 figures
☆ BMFM-RNA: An Open Framework for Building and Evaluating Transcriptomic Foundation Models
Transcriptomic foundation models (TFMs) have recently emerged as powerful tools for analyzing gene expression in cells and tissues, supporting key tasks such as cell-type annotation, batch correction, and perturbation prediction. However, the diversity of model implementations and training strategies across recent TFMs, though promising, makes it challenging to isolate the contribution of individual design choices or evaluate their potential synergies. This hinders the field's ability to converge on best practices and limits the reproducibility of insights across studies. We present BMFM-RNA, an open-source, modular software package that unifies diverse TFM pretraining and fine-tuning objectives within a single framework. Leveraging this capability, we introduce a novel training objective, whole cell expression decoder (WCED), which captures global expression patterns using an autoencoder-like CLS bottleneck representation. In this paper, we describe the framework, supported input representations, and training objectives. We evaluated four model checkpoints pretrained on CELLxGENE using combinations of masked language modeling (MLM), WCED and multitask learning. Using the benchmarking capabilities of BMFM-RNA, we show that WCED-based models achieve performance that matches or exceeds state-of-the-art approaches like scGPT across more than a dozen datasets in both zero-shot and fine-tuning tasks. BMFM-RNA, available as part of the biomed-multi-omics project ( https://github.com/BiomedSciAI/biomed-multi-omic ), offers a reproducible foundation for systematic benchmarking and community-driven exploration of optimal TFM training strategies, enabling the development of more effective tools to leverage the latest advances in AI for understanding cell biology.
☆ DisProtEdit: Exploring Disentangled Representations for Multi-Attribute Protein Editing ICML
We introduce DisProtEdit, a controllable protein editing framework that leverages dual-channel natural language supervision to learn disentangled representations of structural and functional properties. Unlike prior approaches that rely on joint holistic embeddings, DisProtEdit explicitly separates semantic factors, enabling modular and interpretable control. To support this, we construct SwissProtDis, a large-scale multimodal dataset where each protein sequence is paired with two textual descriptions, one for structure and one for function, automatically decomposed using a large language model. DisProtEdit aligns protein and text embeddings using alignment and uniformity objectives, while a disentanglement loss promotes independence between structural and functional semantics. At inference time, protein editing is performed by modifying one or both text inputs and decoding from the updated latent representation. Experiments on protein editing and representation learning benchmarks demonstrate that DisProtEdit performs competitively with existing methods while providing improved interpretability and controllability. On a newly constructed multi-attribute editing benchmark, the model achieves a both-hit success rate of up to 61.7%, highlighting its effectiveness in coordinating simultaneous structural and functional edits.
comment: Accepted to ICMLW (GenBio) 2025 and ICMLW (FM4LS) 2025
♻ ☆ Effective Stimulus Propagation in Neural Circuits: Driver Node Selection
Precise control of signal propagation in modular neural networks represents a fundamental challenge in computational neuroscience. We establish a framework for identifying optimal control nodes that maximize stimulus transmission between weakly coupled neural populations. Using spiking stochastic block model networks, we systematically compare driver node selection strategies - including random sampling and topology-based centrality measures (degree, betweenness, closeness, eigenvector, harmonic, and percolation centrality) - to determine minimal control inputs for achieving inter-population synchronization. Targeted stimulation of just 10-20% of the most central neurons in the source population significantly enhances spiking propagation fidelity compared to random selection. This approach yields a 64-fold increase in signal transfer efficiency at critical inter-module connection densities. These findings establish a theoretical foundation for precision neuromodulation in biological neural systems and neurotechnology applications.
♻ ☆ Querying functional and structural niches on spatial transcriptomics data
Cells in multicellular organisms coordinate to form functional and structural niches. With spatial transcriptomics enabling gene expression profiling in spatial contexts, it has been revealed that spatial niches serve as cohesive and recurrent units in physiological and pathological processes. These observations suggest universal tissue organization principles encoded by conserved niche patterns, and call for a query-based niche analytical paradigm beyond current computational tools. In this work, we defined the Niche Query Task, which is to identify similar niches across ST samples given a niche of interest (NOI). We further developed QueST, a specialized method for solving this task. QueST models each niche as a subgraph, uses contrastive learning to learn discriminative niche embeddings, and incorporates adversarial training to mitigate batch effects. In simulations and benchmark datasets, QueST outperformed existing methods repurposed for niche querying, accurately capturing niche structures in heterogeneous environments and demonstrating strong generalizability across diverse sequencing platforms. Applied to tertiary lymphoid structures in renal and lung cancers, QueST revealed functionally distinct niches associated with patient prognosis and uncovered conserved and divergent spatial architectures across cancer types. These results demonstrate that QueST enables systematic, quantitative profiling of spatial niches across samples, providing a powerful tool to dissect spatial tissue architecture in health and disease.
Computation and Language 100
☆ Steering LLM Thinking with Budget Guidance
Recent deep-thinking large language models often reason extensively to improve performance, but such lengthy reasoning is not always desirable, as it incurs excessive inference costs with disproportionate performance gains. Controlling reasoning length without sacrificing performance is therefore important, but remains challenging, especially under tight thinking budgets. We propose budget guidance, a simple yet effective method for steering the reasoning process of LLMs toward a target budget without requiring any LLM fine-tuning. Our approach introduces a lightweight predictor that models a Gamma distribution over the remaining thinking length during next-token generation. This signal is then used to guide generation in a soft, token-level manner, ensuring that the overall reasoning trace adheres to the specified thinking budget. Budget guidance enables natural control of the thinking length, along with significant token efficiency improvements over baseline methods on challenging math benchmarks. For instance, it achieves up to a 26% accuracy gain on the MATH-500 benchmark under tight budgets compared to baseline methods, while maintaining competitive accuracy with only 63% of the thinking tokens used by the full-thinking model. Budget guidance also generalizes to broader task domains and exhibits emergent capabilities, such as estimating question difficulty. The source code is available at: https://github.com/UMass-Embodied-AGI/BudgetGuidance.
☆ LTRR: Learning To Rank Retrievers for LLMs
Retrieval-Augmented Generation (RAG) systems typically rely on a single fixed retriever, despite growing evidence that no single retriever performs optimally across all query types. In this paper, we explore a query routing approach that dynamically selects from a pool of retrievers based on the query, using both train-free heuristics and learned routing models. We frame routing as a learning-to-rank (LTR) problem and introduce LTRR, a framework that learns to rank retrievers by their expected utility gain to downstream LLM performance. Our experiments, conducted on synthetic QA data with controlled query type variations, show that routing-based RAG systems can outperform the best single-retriever-based systems. Performance gains are especially pronounced in models trained with the Answer Correctness (AC) metric and with pairwise learning approaches, especially with XGBoost. We also observe improvements in generalization to out-of-distribution queries. As part of the SIGIR 2025 LiveRAG challenge, our submitted system demonstrated the practical viability of our approach, achieving competitive performance in both answer correctness and faithfulness. These findings highlight the importance of both training methodology and metric selection in query routing for RAG systems.
comment: SIGIR 2025 LiveRAG Spotlight
☆ Instruction Following by Boosting Attention of Large Language Models
Controlling the generation of large language models (LLMs) remains a central challenge to ensure their safe and reliable deployment. While prompt engineering and finetuning are common approaches, recent work has explored latent steering, a lightweight technique that alters LLM internal activations to guide generation. However, subsequent studies revealed latent steering's effectiveness to be limited, often underperforming simple instruction prompting. To address this limitation, we first establish a benchmark across diverse behaviors for standardized evaluation of steering techniques. Building on insights from this benchmark, we introduce Instruction Attention Boosting (InstABoost), a latent steering method that boosts the strength of instruction prompting by altering the model's attention during generation. InstABoost combines the strengths of existing approaches and is theoretically supported by prior work that suggests that in-context rule following in transformer-based models can be controlled by manipulating attention on instructions. Empirically, InstABoost demonstrates superior control success compared to both traditional prompting and latent steering.
☆ Attribution-guided Pruning for Compression, Circuit Discovery, and Targeted Correction in LLMs
Large Language Models (LLMs) are central to many contemporary AI applications, yet their extensive parameter counts pose significant challenges for deployment in memory- and compute-constrained environments. Recent works in eXplainable AI (XAI), particularly on attribution methods, suggest that interpretability can also enable model compression by identifying and removing components irrelevant to inference. In this paper, we leverage Layer-wise Relevance Propagation (LRP) to perform attribution-guided pruning of LLMs. While LRP has shown promise in structured pruning for vision models, we extend it to unstructured pruning in LLMs and demonstrate that it can substantially reduce model size with minimal performance loss. Our method is especially effective in extracting task-relevant subgraphs -- so-called ``circuits'' -- which can represent core functions (e.g., indirect object identification). Building on this, we introduce a technique for model correction, by selectively removing circuits responsible for spurious behaviors (e.g., toxic outputs). All in all, we gather these techniques as a uniform holistic framework and showcase its effectiveness and limitations through extensive experiments for compression, circuit discovery and model correction on Llama and OPT models, highlighting its potential for improving both model efficiency and safety. Our code is publicly available at https://github.com/erfanhatefi/SparC3.
comment: Work in progress (10 pages manuscript, 3 pages references, 12 pages appendix)
☆ Balancing Knowledge Delivery and Emotional Comfort in Healthcare Conversational Systems
With the advancement of large language models, many dialogue systems are now capable of providing reasonable and informative responses to patients' medical conditions. However, when patients consult their doctor, they may experience negative emotions due to the severity and urgency of their situation. If the model can provide appropriate comfort and empathy based on the patient's negative emotions while answering medical questions, it will likely offer a more reassuring experience during the medical consultation process. To address this issue, our paper explores the balance between knowledge sharing and emotional support in the healthcare dialogue process. We utilize a large language model to rewrite a real-world interactive medical dialogue dataset, generating patient queries with negative emotions and corresponding medical responses aimed at soothing the patient's emotions while addressing their concerns. The modified data serves to refine the latest large language models with various fine-tuning methods, enabling them to accurately provide sentences with both emotional reassurance and constructive suggestions in response to patients' questions. Compared to the original LLM model, our experimental results demonstrate that our methodology significantly enhances the model's ability to generate emotional responses while maintaining its original capability to provide accurate knowledge-based answers.
comment: IWSDS 2025 Oral Paper
Turning Down the Heat: A Critical Analysis of Min-p Sampling in Language Models
Sampling from language models impacts the quality and diversity of outputs, affecting both research and real-world applications. Recently, Nguyen et al. 2024's "Turning Up the Heat: Min-p Sampling for Creative and Coherent LLM Outputs" introduced a new sampler called min-p, claiming it achieves superior quality and diversity over established samplers such as basic, top-k, and top-p sampling. The significance of these claims was underscored by the paper's recognition as the 18th highest-scoring submission to ICLR 2025 and selection for an Oral presentation. This paper conducts a comprehensive re-examination of the evidence supporting min-p and reaches different conclusions from the original paper's four lines of evidence. First, the original paper's human evaluations omitted data, conducted statistical tests incorrectly, and described qualitative feedback inaccurately; our reanalysis demonstrates min-p did not outperform baselines in quality, diversity, or a trade-off between quality and diversity; in response to our findings, the authors of the original paper conducted a new human evaluation using a different implementation, task, and rubric that nevertheless provides further evidence min-p does not improve over baselines. Second, comprehensively sweeping the original paper's NLP benchmarks reveals min-p does not surpass baselines when controlling for the number of hyperparameters. Third, the original paper's LLM-as-a-Judge evaluations lack methodological clarity and appear inconsistently reported. Fourth, community adoption claims (49k GitHub repositories, 1.1M GitHub stars) were found to be unsubstantiated, leading to their removal; the revised adoption claim remains misleading. We conclude that evidence presented in the original paper fails to support claims that min-p improves quality, diversity, or a trade-off between quality and diversity.
☆ Prefix-Tuning+: Modernizing Prefix-Tuning through Attention Independent Prefix Data
Parameter-Efficient Fine-Tuning (PEFT) methods have become crucial for rapidly adapting large language models (LLMs) to downstream tasks. Prefix-Tuning, an early and effective PEFT technique, demonstrated the ability to achieve performance comparable to full fine-tuning with significantly reduced computational and memory overhead. However, despite its earlier success, its effectiveness in training modern state-of-the-art LLMs has been very limited. In this work, we demonstrate empirically that Prefix-Tuning underperforms on LLMs because of an inherent tradeoff between input and prefix significance within the attention head. This motivates us to introduce Prefix-Tuning+, a novel architecture that generalizes the principles of Prefix-Tuning while addressing its shortcomings by shifting the prefix module out of the attention head itself. We further provide an overview of our construction process to guide future users when constructing their own context-based methods. Our experiments show that, across a diverse set of benchmarks, Prefix-Tuning+ consistently outperforms existing Prefix-Tuning methods. Notably, it achieves performance on par with the widely adopted LoRA method on several general benchmarks, highlighting the potential modern extension of Prefix-Tuning approaches. Our findings suggest that by overcoming its inherent limitations, Prefix-Tuning can remain a competitive and relevant research direction in the landscape of parameter-efficient LLM adaptation.
☆ Stream-Omni: Simultaneous Multimodal Interactions with Large Language-Vision-Speech Model
The emergence of GPT-4o-like large multimodal models (LMMs) has raised the exploration of integrating text, vision, and speech modalities to support more flexible multimodal interaction. Existing LMMs typically concatenate representation of modalities along the sequence dimension and feed them into a large language model (LLM) backbone. While sequence-dimension concatenation is straightforward for modality integration, it often relies heavily on large-scale data to learn modality alignments. In this paper, we aim to model the relationships between modalities more purposefully, thereby achieving more efficient and flexible modality alignments. To this end, we propose Stream-Omni, a large language-vision-speech model with efficient modality alignments, which can simultaneously support interactions under various modality combinations. Stream-Omni employs LLM as the backbone and aligns the vision and speech to the text based on their relationships. For vision that is semantically complementary to text, Stream-Omni uses sequence-dimension concatenation to achieve vision-text alignment. For speech that is semantically consistent with text, Stream-Omni introduces a CTC-based layer-dimension mapping to achieve speech-text alignment. In this way, Stream-Omni can achieve modality alignments with less data (especially speech), enabling the transfer of text capabilities to other modalities. Experiments on various benchmarks demonstrate that Stream-Omni achieves strong performance on visual understanding, speech interaction, and vision-grounded speech interaction tasks. Owing to the layer-dimensional mapping, Stream-Omni can simultaneously provide intermediate text outputs (such as ASR transcriptions and model responses) during speech interaction, offering users a comprehensive multimodal experience.
comment: Code: https://github.com/ictnlp/Stream-Omni , Model: https://huggingface.co/ICTNLP/stream-omni-8b
☆ EvolvTrip: Enhancing Literary Character Understanding with Temporal Theory-of-Mind Graphs
A compelling portrayal of characters is essential to the success of narrative writing. For readers, appreciating a character's traits requires the ability to infer their evolving beliefs, desires, and intentions over the course of a complex storyline, a cognitive skill known as Theory-of-Mind (ToM). Performing ToM reasoning in prolonged narratives requires readers to integrate historical context with current narrative information, a task at which humans excel but Large Language Models (LLMs) often struggle. To systematically evaluate LLMs' ToM reasoning capability in long narratives, we construct LitCharToM, a benchmark of character-centric questions across four ToM dimensions from classic literature. Further, we introduce EvolvTrip, a perspective-aware temporal knowledge graph that tracks psychological development throughout narratives. Our experiments demonstrate that EvolvTrip consistently enhances performance of LLMs across varying scales, even in challenging extended-context scenarios. EvolvTrip proves to be particularly valuable for smaller models, partially bridging the performance gap with larger LLMs and showing great compatibility with lengthy narratives. Our findings highlight the importance of explicit representation of temporal character mental states in narrative comprehension and offer a foundation for more sophisticated character understanding. Our data and code are publicly available at https://github.com/Bernard-Yang/EvolvTrip.
☆ An Empirical Study of LLM-as-a-Judge: How Design Choices Impact Evaluation Reliability
As large language models (LLMs) continue to advance, reliable evaluation methods are essential particularly for open-ended, instruction-following tasks. LLM-as-a-Judge enables automatic evaluation using LLMs as evaluators, but its reliability remains uncertain. In this work, we analyze key factors affecting its trustworthiness, focusing on alignment with human judgments and evaluation consistency. Using BIGGENBench and EvalBiasBench, we study the effects of evaluation design, decoding strategies, and Chain-of-Tought (CoT) reasoning in evaluation. Our results show that evaluation criteria are critical for reliability, non-deterministic sampling improves alignment with human preferences over deterministic evaluation, and CoT reasoning offers minimal gains when clear evaluation criteria are present.
☆ A Structured Bangla Dataset of Disease-Symptom Associations to Improve Diagnostic Accuracy
Disease-symptom datasets are significant and in demand for medical research, disease diagnosis, clinical decision-making, and AI-driven health management applications. These datasets help identify symptom patterns associated with specific diseases, thus improving diagnostic accuracy and enabling early detection. The dataset presented in this study systematically compiles disease-symptom relationships from various online sources, medical literature, and publicly available health databases. The data was gathered through analyzing peer-reviewed medical articles, clinical case studies, and disease-symptom association reports. Only the verified medical sources were included in the dataset, while those from non-peer-reviewed and anecdotal sources were excluded. The dataset is structured in a tabular format, where the first column represents diseases, and the remaining columns represent symptoms. Each symptom cell contains a binary value (1 or 0), indicating whether a symptom is associated with a disease (1 for presence, 0 for absence). Thereby, this structured representation makes the dataset very useful for a wide range of applications, including machine learning-based disease prediction, clinical decision support systems, and epidemiological studies. Although there are some advancements in the field of disease-symptom datasets, there is a significant gap in structured datasets for the Bangla language. This dataset aims to bridge that gap by facilitating the development of multilingual medical informatics tools and improving disease prediction models for underrepresented linguistic communities. Further developments should include region-specific diseases and further fine-tuning of symptom associations for better diagnostic performance
comment: Preprint
☆ CAMS: A CityGPT-Powered Agentic Framework for Urban Human Mobility Simulation
Human mobility simulation plays a crucial role in various real-world applications. Recently, to address the limitations of traditional data-driven approaches, researchers have explored leveraging the commonsense knowledge and reasoning capabilities of large language models (LLMs) to accelerate human mobility simulation. However, these methods suffer from several critical shortcomings, including inadequate modeling of urban spaces and poor integration with both individual mobility patterns and collective mobility distributions. To address these challenges, we propose \textbf{C}ityGPT-Powered \textbf{A}gentic framework for \textbf{M}obility \textbf{S}imulation (\textbf{CAMS}), an agentic framework that leverages the language based urban foundation model to simulate human mobility in urban space. \textbf{CAMS} comprises three core modules, including MobExtractor to extract template mobility patterns and synthesize new ones based on user profiles, GeoGenerator to generate anchor points considering collective knowledge and generate candidate urban geospatial knowledge using an enhanced version of CityGPT, TrajEnhancer to retrieve spatial knowledge based on mobility patterns and generate trajectories with real trajectory preference alignment via DPO. Experiments on real-world datasets show that \textbf{CAMS} achieves superior performance without relying on externally provided geospatial information. Moreover, by holistically modeling both individual mobility patterns and collective mobility constraints, \textbf{CAMS} generates more realistic and plausible trajectories. In general, \textbf{CAMS} establishes a new paradigm that integrates the agentic framework with urban-knowledgeable LLMs for human mobility simulation.
☆ Qwen vs. Gemma Integration with Whisper: A Comparative Study in Multilingual SpeechLLM Systems
This paper presents our system for the MLC-SLM Challenge 2025, focusing on multilingual speech recognition and language modeling with large language models (LLMs). Our approach combines a fine-tuned Whisper-large-v3 encoder with efficient projector architectures and various decoder configurations. We employ a three-stage training methodology that progressively optimizes the encoder, projector, and LLM components. Our system achieves competitive performance with a private test average WER/CER result of 16.63% using the Gemma3-12B and 18.6% using the Qwen2.5-7B as decoder-only language model.
comment: Technical report for Interspeech 2025 MLC-SLM Challenge
MiniMax-M1: Scaling Test-Time Compute Efficiently with Lightning Attention
We introduce MiniMax-M1, the world's first open-weight, large-scale hybrid-attention reasoning model. MiniMax-M1 is powered by a hybrid Mixture-of-Experts (MoE) architecture combined with a lightning attention mechanism. The model is developed based on our previous MiniMax-Text-01 model, which contains a total of 456 billion parameters with 45.9 billion parameters activated per token. The M1 model natively supports a context length of 1 million tokens, 8x the context size of DeepSeek R1. Furthermore, the lightning attention mechanism in MiniMax-M1 enables efficient scaling of test-time compute. These properties make M1 particularly suitable for complex tasks that require processing long inputs and thinking extensively. MiniMax-M1 is trained using large-scale reinforcement learning (RL) on diverse problems including sandbox-based, real-world software engineering environments. In addition to M1's inherent efficiency advantage for RL training, we propose CISPO, a novel RL algorithm to further enhance RL efficiency. CISPO clips importance sampling weights rather than token updates, outperforming other competitive RL variants. Combining hybrid-attention and CISPO enables MiniMax-M1's full RL training on 512 H800 GPUs to complete in only three weeks, with a rental cost of just $534,700. We release two versions of MiniMax-M1 models with 40K and 80K thinking budgets respectively, where the 40K model represents an intermediate phase of the 80K training. Experiments on standard benchmarks show that our models are comparable or superior to strong open-weight models such as the original DeepSeek-R1 and Qwen3-235B, with particular strengths in complex software engineering, tool utilization, and long-context tasks. We publicly release MiniMax-M1 at https://github.com/MiniMax-AI/MiniMax-M1.
comment: A technical report from MiniMax. The authors are listed in alphabetical order. We open-source our MiniMax-M1 at https://github.com/MiniMax-AI/MiniMax-M1
☆ Flexible-length Text Infilling for Discrete Diffusion Models
Discrete diffusion models are a new class of text generators that offer advantages such as bidirectional context use, parallelizable generation, and flexible prompting compared to autoregressive models. However, a critical limitation of discrete diffusion models is their inability to perform flexible-length or flexible-position text infilling without access to ground-truth positional data. We introduce \textbf{DDOT} (\textbf{D}iscrete \textbf{D}iffusion with \textbf{O}ptimal \textbf{T}ransport Position Coupling), the first discrete diffusion model to overcome this challenge. DDOT jointly denoises token values and token positions, employing a novel sample-level Optimal Transport (OT) coupling. This coupling preserves relative token ordering while dynamically adjusting the positions and length of infilled segments, a capability previously missing in text diffusion. Our method is orthogonal to existing discrete text diffusion methods and is compatible with various pretrained text denoisers. Extensive experiments on text infilling benchmarks such as One-Billion-Word and Yelp demonstrate that DDOT outperforms naive diffusion baselines. Furthermore, DDOT achieves performance on par with state-of-the-art non-autoregressive models and enables significant improvements in training efficiency and flexibility.
☆ Characterizing Linguistic Shifts in Croatian News via Diachronic Word Embeddings
Measuring how semantics of words change over time improves our understanding of how cultures and perspectives change. Diachronic word embeddings help us quantify this shift, although previous studies leveraged substantial temporally annotated corpora. In this work, we use a corpus of 9.5 million Croatian news articles spanning the past 25 years and quantify semantic change using skip-gram word embeddings trained on five-year periods. Our analysis finds that word embeddings capture linguistic shifts of terms pertaining to major topics in this timespan (COVID-19, Croatia joining the European Union, technological advancements). We also find evidence that embeddings from post-2020 encode increased positivity in sentiment analysis tasks, contrasting studies reporting a decline in mental health over the same period.
comment: Accepted at Slavic NLP 2025
☆ Understand the Implication: Learning to Think for Pragmatic Understanding
Pragmatics, the ability to infer meaning beyond literal interpretation, is crucial for social cognition and communication. While LLMs have been benchmarked for their pragmatic understanding, improving their performance remains underexplored. Existing methods rely on annotated labels but overlook the reasoning process humans naturally use to interpret implicit meaning. To bridge this gap, we introduce a novel pragmatic dataset, ImpliedMeaningPreference, that includes explicit reasoning (thoughts) for both correct and incorrect interpretations. Through preference-tuning and supervised fine-tuning, we demonstrate that thought-based learning significantly enhances LLMs' pragmatic understanding, improving accuracy by 11.12% across model families. We further discuss a transfer-learning study where we evaluate the performance of thought-based training for the other tasks of pragmatics (presupposition, deixis) that are not seen during the training time and observe an improvement of 16.10% compared to label-trained models.
comment: SS and KM contributed equally to this work
☆ Mixture of Weight-shared Heterogeneous Group Attention Experts for Dynamic Token-wise KV Optimization
Transformer models face scalability challenges in causal language modeling (CLM) due to inefficient memory allocation for growing key-value (KV) caches, which strains compute and storage resources. Existing methods like Grouped Query Attention (GQA) and token-level KV optimization improve efficiency but rely on rigid resource allocation, often discarding "low-priority" tokens or statically grouping them, failing to address the dynamic spectrum of token importance. We propose mixSGA, a novel mixture-of-expert (MoE) approach that dynamically optimizes token-wise computation and memory allocation. Unlike prior approaches, mixSGA retains all tokens while adaptively routing them to specialized experts with varying KV group sizes, balancing granularity and efficiency. Our key novelties include: (1) a token-wise expert-choice routing mechanism guided by learned importance scores, enabling proportional resource allocation without token discard; (2) weight-sharing across grouped attention projections to minimize parameter overhead; and (3) an auxiliary loss to ensure one-hot routing decisions for training-inference consistency in CLMs. Extensive evaluations across Llama3, TinyLlama, OPT, and Gemma2 model families show mixSGA's superiority over static baselines. On instruction-following and continued pretraining tasks, mixSGA achieves higher ROUGE-L and lower perplexity under the same KV budgets.
☆ TensorSLM: Energy-efficient Embedding Compression of Sub-billion Parameter Language Models on Low-end Devices ICML 2025
Small Language Models (SLMs, or on-device LMs) have significantly fewer parameters than Large Language Models (LLMs). They are typically deployed on low-end devices, like mobile phones and single-board computers. Unlike LLMs, which rely on increasing model size for better generalisation, SLMs designed for edge applications are expected to have adaptivity to the deployment environments and energy efficiency given the device battery life constraints, which are not addressed in datacenter-deployed LLMs. This paper addresses these two requirements by proposing a training-free token embedding compression approach using Tensor-Train Decomposition (TTD). Each pre-trained token embedding vector is converted into a lower-dimensional Matrix Product State (MPS). We comprehensively evaluate the extracted low-rank structures across compression ratio, language task performance, latency, and energy consumption on a typical low-end device, i.e. Raspberry Pi. Taking the sub-billion parameter versions of GPT-2/Cerebres-GPT and OPT models as examples, our approach achieves a comparable language task performance to the original model with around $2.0\times$ embedding layer compression, while the energy consumption of a single query drops by half.
comment: ICML 2025 Workshop on Tiny Titans: The next wave of On-Device Learning for Foundational Models (TTODLer-FM)
☆ K/DA: Automated Data Generation Pipeline for Detoxifying Implicitly Offensive Language in Korean ACL 2025
Language detoxification involves removing toxicity from offensive language. While a neutral-toxic paired dataset provides a straightforward approach for training detoxification models, creating such datasets presents several challenges: i) the need for human annotation to build paired data, and ii) the rapid evolution of offensive terms, rendering static datasets quickly outdated. To tackle these challenges, we introduce an automated paired data generation pipeline, called K/DA. This pipeline is designed to generate offensive language with implicit offensiveness and trend-aligned slang, making the resulting dataset suitable for detoxification model training. We demonstrate that the dataset generated by K/DA exhibits high pair consistency and greater implicit offensiveness compared to existing Korean datasets, and also demonstrates applicability to other languages. Furthermore, it enables effective training of a high-performing detoxification model with simple instruction fine-tuning.
comment: 9 pages, 3 figures, ACL 2025
☆ BOW: Bottlenecked Next Word Exploration
Large language models (LLMs) are typically trained via next-word prediction (NWP), which provides strong surface-level fluency but often lacks support for robust reasoning. We propose BOttlenecked next Word exploration (BOW), a novel RL framework that rethinks NWP by introducing a reasoning bottleneck where a policy model first generates a reasoning path rather than predicting the next token directly, after which a frozen judge model predicts the next token distribution based solely on this reasoning path. We train the policy model using GRPO with rewards that quantify how effectively the reasoning path facilitates next-word recovery. Compared with other continual pretraining baselines, we show that BOW improves both the general and next-word reasoning capabilities of the base model, evaluated on various benchmarks. Our findings show that BOW can serve as an effective and scalable alternative to vanilla NWP.
☆ TurBLiMP: A Turkish Benchmark of Linguistic Minimal Pairs
We introduce TurBLiMP, the first Turkish benchmark of linguistic minimal pairs, designed to evaluate the linguistic abilities of monolingual and multilingual language models (LMs). Covering 16 linguistic phenomena with 1000 minimal pairs each, TurBLiMP fills an important gap in linguistic evaluation resources for Turkish. In designing the benchmark, we give extra attention to two properties of Turkish that remain understudied in current syntactic evaluations of LMs, namely word order flexibility and subordination through morphological processes. Our experiments on a wide range of LMs and a newly collected set of human acceptability judgments reveal that even cutting-edge Large LMs still struggle with grammatical phenomena that are not challenging for humans, and may also exhibit different sensitivities to word order and morphological complexity compared to humans.
☆ Position: Pause Recycling LoRAs and Prioritize Mechanisms to Uncover Limits and Effectiveness
Merging or routing low-rank adapters (LoRAs) has emerged as a popular solution for enhancing large language models, particularly when data access is restricted by regulatory or domain-specific constraints. This position paper argues that the research community should shift its focus from developing new merging or routing algorithms to understanding the conditions under which reusing LoRAs is truly effective. Through theoretical analysis and synthetic two-hop reasoning and math word-problem tasks, we examine whether reusing LoRAs enables genuine compositional generalization or merely reflects shallow pattern matching. Evaluating two data-agnostic methods--parameter averaging and dynamic adapter selection--we found that reusing LoRAs often fails to logically integrate knowledge across disjoint fine-tuning datasets, especially when such knowledge is underrepresented during pretraining. Our empirical results, supported by theoretical insights into LoRA's limited expressiveness, highlight the preconditions and constraints of reusing them for unseen tasks and cast doubt on its feasibility as a truly data-free approach. We advocate for pausing the pursuit of novel methods for recycling LoRAs and emphasize the need for rigorous mechanisms to guide future academic research in adapter-based model merging and practical system designs for practitioners.
☆ Language Agents for Hypothesis-driven Clinical Decision Making with Reinforcement Learning
Clinical decision-making is a dynamic, interactive, and cyclic process where doctors have to repeatedly decide on which clinical action to perform and consider newly uncovered information for diagnosis and treatment. Large Language Models (LLMs) have the potential to support clinicians in this process, however, most applications of LLMs in clinical decision support suffer from one of two limitations: Either they assume the unrealistic scenario of immediate availability of all patient information and do not model the interactive and iterative investigation process, or they restrict themselves to the limited "out-of-the-box" capabilities of large pre-trained models without performing task-specific training. In contrast to this, we propose to model clinical decision-making for diagnosis with a hypothesis-driven uncertainty-aware language agent, LA-CDM, that converges towards a diagnosis via repeatedly requesting and interpreting relevant tests. Using a hybrid training paradigm combining supervised and reinforcement learning, we train LA-CDM with three objectives targeting critical aspects of clinical decision-making: accurate hypothesis generation, hypothesis uncertainty estimation, and efficient decision-making. We evaluate our methodology on MIMIC-CDM, a real-world dataset covering four abdominal diseases containing various clinical tests and show the benefit of explicitly training clinical decision-making for increasing diagnostic performance and efficiency.
☆ ROSAQ: Rotation-based Saliency-Aware Weight Quantization for Efficiently Compressing Large Language Models
Quantization has been widely studied as an effective technique for reducing the memory requirement of large language models (LLMs), potentially improving the latency time as well. Utilizing the characteristic of rotational invariance of transformer, we propose the rotation-based saliency-aware weight quantization (ROSAQ), which identifies salient channels in the projection feature space, not in the original feature space, where the projected "principal" dimensions are naturally considered as "salient" features. The proposed ROSAQ consists of 1) PCA-based projection, which first performs principal component analysis (PCA) on a calibration set and transforms via the PCA projection, 2) Salient channel dentification, which selects dimensions corresponding to the K-largest eigenvalues as salient channels, and 3) Saliency-aware quantization with mixed-precision, which uses FP16 for salient dimensions and INT3/4 for other dimensions. Experiment results show that ROSAQ shows improvements over the baseline saliency-aware quantization on the original feature space and other existing quantization methods. With kernel fusion, ROSAQ presents about 2.3x speed up over FP16 implementation in generating 256 tokens with a batch size of 64.
comment: 10 pages, 2 figures
☆ Abstract, Align, Predict: Zero-Shot Stance Detection via Cognitive Inductive Reasoning
Zero-shot stance detection (ZSSD) aims to identify the stance of text toward previously unseen targets, a setting where conventional supervised models often fail due to reliance on labeled data and shallow lexical cues. Inspired by human cognitive reasoning, we propose the Cognitive Inductive Reasoning Framework (CIRF), which abstracts transferable reasoning schemas from unlabeled text and encodes them as concept-level logic. To integrate these schemas with input arguments, we introduce a Schema-Enhanced Graph Kernel Model (SEGKM) that dynamically aligns local and global reasoning structures. Experiments on SemEval-2016, VAST, and COVID-19-Stance benchmarks show that CIRF establishes new state-of-the-art results, outperforming strong ZSSD baselines by 1.0, 4.5, and 3.3 percentage points in macro-F1, respectively, and achieving comparable accuracy with 70\% fewer labeled examples. We will release the full code upon publication.
☆ An Interdisciplinary Approach to Human-Centered Machine Translation
Machine Translation (MT) tools are widely used today, often in contexts where professional translators are not present. Despite progress in MT technology, a gap persists between system development and real-world usage, particularly for non-expert users who may struggle to assess translation reliability. This paper advocates for a human-centered approach to MT, emphasizing the alignment of system design with diverse communicative goals and contexts of use. We survey the literature in Translation Studies and Human-Computer Interaction to recontextualize MT evaluation and design to address the diverse real-world scenarios in which MT is used today.
comment: 20 pages
☆ Enhancing Omics Cohort Discovery for Research on Neurodegeneration through Ontology-Augmented Embedding Models
The growing volume of omics and clinical data generated for neurodegenerative diseases (NDs) requires new approaches for their curation so they can be ready-to-use in bioinformatics. NeuroEmbed is an approach for the engineering of semantically accurate embedding spaces to represent cohorts and samples. The NeuroEmbed method comprises four stages: (1) extraction of ND cohorts from public repositories; (2) semi-automated normalization and augmentation of metadata of cohorts and samples using biomedical ontologies and clustering on the embedding space; (3) automated generation of a natural language question-answering (QA) dataset for cohorts and samples based on randomized combinations of standardized metadata dimensions and (4) fine-tuning of a domain-specific embedder to optimize queries. We illustrate the approach using the GEO repository and the PubMedBERT pretrained embedder. Applying NeuroEmbed, we semantically indexed 2,801 repositories and 150,924 samples. Amongst many biology-relevant categories, we normalized more than 1,700 heterogeneous tissue labels from GEO into 326 unique ontology-aligned concepts and enriched annotations with new ontology-aligned terms, leading to a fold increase in size for the metadata terms between 2.7 and 20 fold. After fine-tuning PubMedBERT with the QA training data augmented with the enlarged metadata, the model increased its mean Retrieval Precision from 0.277 to 0.866 and its mean Percentile Rank from 0.355 to 0.896. The NeuroEmbed methodology for the creation of electronic catalogues of omics cohorts and samples will foster automated bioinformatic pipelines construction. The NeuroEmbed catalogue of cohorts and samples is available at https://github.com/JoseAdrian3/NeuroEmbed.
comment: 16 pages, 3 figures, 1 table
☆ Unveiling the Learning Mind of Language Models: A Cognitive Framework and Empirical Study
Large language models (LLMs) have shown impressive capabilities across tasks such as mathematics, coding, and reasoning, yet their learning ability, which is crucial for adapting to dynamic environments and acquiring new knowledge, remains underexplored. In this work, we address this gap by introducing a framework inspired by cognitive psychology and education. Specifically, we decompose general learning ability into three distinct, complementary dimensions: Learning from Instructor (acquiring knowledge via explicit guidance), Learning from Concept (internalizing abstract structures and generalizing to new contexts), and Learning from Experience (adapting through accumulated exploration and feedback). We conduct a comprehensive empirical study across the three learning dimensions and identify several insightful findings, such as (i) interaction improves learning; (ii) conceptual understanding is scale-emergent and benefits larger models; and (iii) LLMs are effective few-shot learners but not many-shot learners. Based on our framework and empirical findings, we introduce a benchmark that provides a unified and realistic evaluation of LLMs' general learning abilities across three learning cognition dimensions. It enables diagnostic insights and supports evaluation and development of more adaptive and human-like models.
☆ Leveraging Vision-Language Pre-training for Human Activity Recognition in Still Images
Recognising human activity in a single photo enables indexing, safety and assistive applications, yet lacks motion cues. Using 285 MSCOCO images labelled as walking, running, sitting, and standing, scratch CNNs scored 41% accuracy. Fine-tuning multimodal CLIP raised this to 76%, demonstrating that contrastive vision-language pre-training decisively improves still-image action recognition in real-world deployments.
☆ A Neural Model for Word Repetition
It takes several years for the developing brain of a baby to fully master word repetition-the task of hearing a word and repeating it aloud. Repeating a new word, such as from a new language, can be a challenging task also for adults. Additionally, brain damage, such as from a stroke, may lead to systematic speech errors with specific characteristics dependent on the location of the brain damage. Cognitive sciences suggest a model with various components for the different processing stages involved in word repetition. While some studies have begun to localize the corresponding regions in the brain, the neural mechanisms and how exactly the brain performs word repetition remain largely unknown. We propose to bridge the gap between the cognitive model of word repetition and neural mechanisms in the human brain by modeling the task using deep neural networks. Neural models are fully observable, allowing us to study the detailed mechanisms in their various substructures and make comparisons with human behavior and, ultimately, the brain. Here, we make first steps in this direction by: (1) training a large set of models to simulate the word repetition task; (2) creating a battery of tests to probe the models for known effects from behavioral studies in humans, and (3) simulating brain damage through ablation studies, where we systematically remove neurons from the model, and repeat the behavioral study to examine the resulting speech errors in the "patient" model. Our results show that neural models can mimic several effects known from human research, but might diverge in other aspects, highlighting both the potential and the challenges for future research aimed at developing human-like neural models.
comment: To appear at Cognitive Computational Neuroscience 2025 (CCN)
☆ RealHiTBench: A Comprehensive Realistic Hierarchical Table Benchmark for Evaluating LLM-Based Table Analysis ACL 2025
With the rapid advancement of Large Language Models (LLMs), there is an increasing need for challenging benchmarks to evaluate their capabilities in handling complex tabular data. However, existing benchmarks are either based on outdated data setups or focus solely on simple, flat table structures. In this paper, we introduce RealHiTBench, a comprehensive benchmark designed to evaluate the performance of both LLMs and Multimodal LLMs (MLLMs) across a variety of input formats for complex tabular data, including LaTeX, HTML, and PNG. RealHiTBench also includes a diverse collection of tables with intricate structures, spanning a wide range of task types. Our experimental results, using 25 state-of-the-art LLMs, demonstrate that RealHiTBench is indeed a challenging benchmark. Moreover, we also develop TreeThinker, a tree-based pipeline that organizes hierarchical headers into a tree structure for enhanced tabular reasoning, validating the importance of improving LLMs' perception of table hierarchies. We hope that our work will inspire further research on tabular data reasoning and the development of more robust models. The code and data are available at https://github.com/cspzyy/RealHiTBench.
comment: ACL 2025
☆ Bi-directional Context-Enhanced Speech Large Language Models for Multilingual Conversational ASR
This paper introduces the integration of language-specific bi-directional context into a speech large language model (SLLM) to improve multilingual continuous conversational automatic speech recognition (ASR). We propose a character-level contextual masking strategy during training, which randomly removes portions of the context to enhance robustness and better emulate the flawed transcriptions that may occur during inference. For decoding, a two-stage pipeline is utilized: initial isolated segment decoding followed by context-aware re-decoding using neighboring hypotheses. Evaluated on the 1500-hour Multilingual Conversational Speech and Language Model (MLC-SLM) corpus covering eleven languages, our method achieves an 18% relative improvement compared to a strong baseline, outperforming even the model trained on 6000 hours of data for the MLC-SLM competition. These results underscore the significant benefit of incorporating contextual information in multilingual continuous conversational ASR.
comment: Submitted to Interspeech 2025 MLC-SLM workshop as a Research Paper
☆ Decompositional Reasoning for Graph Retrieval with Large Language Models
Large Language Models (LLMs) excel at many NLP tasks, but struggle with multi-hop reasoning and factual consistency, limiting their effectiveness on knowledge-intensive tasks like complex question answering (QA). Linking Knowledge Graphs (KG) and LLMs has shown promising results, but LLMs generally lack the ability to reason efficiently over graph-structured information. To tackle this problem, we propose a novel retrieval approach that integrates textual knowledge graphs into the LLM reasoning process via query decomposition. Our method decomposes complex questions into sub-questions, retrieves relevant textual subgraphs, and composes a question-specific knowledge graph to guide answer generation. For that, we use a weighted similarity function that focuses on both the complex question and the generated subquestions to extract a relevant subgraph, which allows efficient and precise retrieval for complex questions and improves the performance of LLMs on multi-hop QA tasks. This structured reasoning pipeline enhances factual grounding and interpretability while leveraging the generative strengths of LLMs. We evaluate our method on standard multi-hop QA benchmarks and show that it achieves comparable or superior performance to competitive existing methods, using smaller models and fewer LLM calls.
☆ Enhancing Goal-oriented Proactive Dialogue Systems via Consistency Reflection and Correction
This paper proposes a consistency reflection and correction method for goal-oriented dialogue systems.
☆ Efficient Medical VIE via Reinforcement Learning
Visual Information Extraction (VIE) converts unstructured document images into structured formats like JSON, critical for medical applications such as report analysis and online consultations. Traditional methods rely on OCR and language models, while end-to-end multimodal models offer direct JSON generation. However, domain-specific schemas and high annotation costs limit their effectiveness in medical VIE. We base our approach on the Reinforcement Learning with Verifiable Rewards (RLVR) framework to address these challenges using only 100 annotated samples. Our approach ensures dataset diversity, a balanced precision-recall reward mechanism to reduce hallucinations and improve field coverage, and innovative sampling strategies to enhance reasoning capabilities. Fine-tuning Qwen2.5-VL-7B with our RLVR method, we achieve state-of-the-art performance on medical VIE tasks, significantly improving F1, precision, and recall. While our models excel on tasks similar to medical datasets, performance drops on dissimilar tasks, highlighting the need for domain-specific optimization. Case studies further demonstrate the value of reasoning during training and inference for VIE.
☆ StoryBench: A Dynamic Benchmark for Evaluating Long-Term Memory with Multi Turns
Long-term memory (LTM) is essential for large language models (LLMs) to achieve autonomous intelligence in complex, evolving environments. Despite increasing efforts in memory-augmented and retrieval-based architectures, there remains a lack of standardized benchmarks to systematically evaluate LLMs' long-term memory abilities. Existing benchmarks still face challenges in evaluating knowledge retention and dynamic sequential reasoning, and in their own flexibility, all of which limit their effectiveness in assessing models' LTM capabilities. To address these gaps, we propose a novel benchmark framework based on interactive fiction games, featuring dynamically branching storylines with complex reasoning structures. These structures simulate real-world scenarios by requiring LLMs to navigate hierarchical decision trees, where each choice triggers cascading dependencies across multi-turn interactions. Our benchmark emphasizes two distinct settings to test reasoning complexity: one with immediate feedback upon incorrect decisions, and the other requiring models to independently trace back and revise earlier choices after failure. As part of this benchmark, we also construct a new dataset designed to test LLMs' LTM within narrative-driven environments. We further validate the effectiveness of our approach through detailed experiments. Experimental results demonstrate the benchmark's ability to robustly and reliably assess LTM in LLMs.
comment: 13pages, 8 figures, 4 tables
☆ Direct Reasoning Optimization: LLMs Can Reward And Refine Their Own Reasoning for Open-Ended Tasks
Recent advances in Large Language Models (LLMs) have showcased impressive reasoning abilities in structured tasks like mathematics and programming, largely driven by Reinforcement Learning with Verifiable Rewards (RLVR), which uses outcome-based signals that are scalable, effective, and robust against reward hacking. However, applying similar techniques to open-ended long-form reasoning tasks remains challenging due to the absence of generic, verifiable reward signals. To address this, we propose Direct Reasoning Optimization (DRO), a reinforcement learning framework for fine-tuning LLMs on open-ended, particularly long-form, reasoning tasks, guided by a new reward signal: the Reasoning Reflection Reward (R3). At its core, R3 selectively identifies and emphasizes key tokens in the reference outcome that reflect the influence of the model's preceding chain-of-thought reasoning, thereby capturing the consistency between reasoning and reference outcome at a fine-grained level. Crucially, R3 is computed internally using the same model being optimized, enabling a fully self-contained training setup. Additionally, we introduce a dynamic data filtering strategy based on R3 for open-ended reasoning tasks, reducing cost while improving downstream performance. We evaluate DRO on two diverse datasets -- ParaRev, a long-form paragraph revision task, and FinQA, a math-oriented QA benchmark -- and show that it consistently outperforms strong baselines while remaining broadly applicable across both open-ended and structured domains.
☆ Verifying the Verifiers: Unveiling Pitfalls and Potentials in Fact Verifiers
Fact verification is essential for ensuring the reliability of LLM applications. In this study, we evaluate 12 pre-trained LLMs and one specialized fact-verifier, including frontier LLMs and open-weight reasoning LLMs, using a collection of examples from 14 fact-checking benchmarks. We share three findings intended to guide future development of more robust fact verifiers. First, we highlight the importance of addressing annotation errors and ambiguity in datasets, demonstrating that approximately 16\% of ambiguous or incorrectly labeled data substantially influences model rankings. Neglecting this issue may result in misleading conclusions during comparative evaluations, and we suggest using a systematic pipeline utilizing LLM-as-a-judge to help identify these issues at scale. Second, we discover that frontier LLMs with few-shot in-context examples, often overlooked in previous works, achieve top-tier performance. We therefore recommend future studies include comparisons with these simple yet highly effective baselines. Lastly, despite their effectiveness, frontier LLMs incur substantial costs, motivating the development of small, fine-tuned fact verifiers. We show that these small models still have room for improvement, particularly on instances that require complex reasoning. Encouragingly, we demonstrate that augmenting training with synthetic multi-hop reasoning data significantly enhances their capabilities in such instances. We release our code, model, and dataset at https://github.com/just1nseo/verifying-the-verifiers
☆ NTU Speechlab LLM-Based Multilingual ASR System for Interspeech MLC-SLM Challenge 2025
This report details the NTU Speechlab system developed for the Interspeech 2025 Multilingual Conversational Speech and Language Model (MLC-SLM) Challenge (Task I), where we achieved 5th place. We present comprehensive analyses of our multilingual automatic speech recognition system, highlighting key advancements in model architecture, data selection, and training strategies. In particular, language-specific prompts and model averaging techniques were instrumental in boosting system performance across diverse languages. Compared to the initial baseline system, our final model reduced the average Mix Error Rate from 20.2% to 10.6%, representing an absolute improvement of 9.6% (a relative improvement of 48%) on the evaluation set. Our results demonstrate the effectiveness of our approach and offer practical insights for future Speech Large Language Models.
comment: Submitted to Interspeech 2025 MLC-SLM challenge (5th place). System report
☆ EAQuant: Enhancing Post-Training Quantization for MoE Models via Expert-Aware Optimization
Mixture-of-Experts (MoE) models have emerged as a cornerstone of large-scale deep learning by efficiently distributing computation and enhancing performance. However, their unique architecture-characterized by sparse expert activation and dynamic routing mechanisms-introduces inherent complexities that challenge conventional quantization techniques. Existing post-training quantization (PTQ) methods struggle to address activation outliers, router consistency and sparse expert calibration, leading to significant performance degradation. To bridge this gap, we propose EAQuant, a novel PTQ framework tailored for MoE architectures. Our method systematically tackles these challenges through three key innovations: (1) expert-aware smoothing aggregation to suppress activation outliers and stabilize quantization, (2) router logits distribution alignment to preserve expert selection consistency post-quantization, and (3) expert-level calibration data balance to optimize sparsely activated experts. Extensive experiments across W4A4 and extreme W3A4 quantization configurations demonstrate that EAQuant significantly outperforms existing methods, achieving average score improvements of 1.15 - 2.28% across three diverse MoE architectures, with particularly pronounced gains in reasoning tasks and robust performance retention under aggressive quantization. By integrating these innovations, EAQuant establishes a new state-of-the-art for high-precision, efficient MoE model compression. Our code is available at https://github.com/darren-fzq/EAQuant.
☆ Document-Level Tabular Numerical Cross-Checking: A Coarse-to-Fine Approach
Numerical consistency across tables in disclosure documents is critical for ensuring accuracy, maintaining credibility, and avoiding reputational and economic risks. Automated tabular numerical cross-checking presents two significant challenges: (C1) managing the combinatorial explosion of candidate instances at the document level and (C2) comprehending multi-faceted numerical semantics. Previous research typically depends on heuristic-based filtering or simplified context extraction, often struggling to balance performance and efficiency. Recently, large language models (LLMs) have demonstrated remarkable contextual understanding capabilities that helps address C2 at the instance level, yet they remain hampered by computational inefficiency (C1) and limited domain expertise. This paper introduces CoFiTCheck, a novel LLM-based coarse-to-fine framework that addresses these challenges through two sequential stages: embedding-based filtering and discriminative classification. The embedding-based filtering stage introduces an instructional parallel encoding method to efficiently represent all numerical mentions in a table with LLMs, as well as a decoupled InfoNCE objective to mitigate the isolated mention problem. The discriminative classification stage employs a specialized LLM for fine-grained analysis of the remaining candidate pairs. This stage is further enhanced by our crosstable numerical alignment pretraining paradigm, which leverages weak supervision from cross-table numerical equality relationships to enrich task-specific priors without requiring manual annotation. Comprehensive evaluation across three types of real-world disclosure documents demonstrates that CoFiTCheck significantly outperforms previous methods while maintaining practical efficiency.
comment: Submitted to IEEE TKDE
Large Language Models as 'Hidden Persuaders': Fake Product Reviews are Indistinguishable to Humans and Machines
Reading and evaluating product reviews is central to how most people decide what to buy and consume online. However, the recent emergence of Large Language Models and Generative Artificial Intelligence now means writing fraudulent or fake reviews is potentially easier than ever. Through three studies we demonstrate that (1) humans are no longer able to distinguish between real and fake product reviews generated by machines, averaging only 50.8% accuracy overall - essentially the same that would be expected by chance alone; (2) that LLMs are likewise unable to distinguish between fake and real reviews and perform equivalently bad or even worse than humans; and (3) that humans and LLMs pursue different strategies for evaluating authenticity which lead to equivalently bad accuracy, but different precision, recall and F1 scores - indicating they perform worse at different aspects of judgment. The results reveal that review systems everywhere are now susceptible to mechanised fraud if they do not depend on trustworthy purchase verification to guarantee the authenticity of reviewers. Furthermore, the results provide insight into the consumer psychology of how humans judge authenticity, demonstrating there is an inherent 'scepticism bias' towards positive reviews and a special vulnerability to misjudge the authenticity of fake negative reviews. Additionally, results provide a first insight into the 'machine psychology' of judging fake reviews, revealing that the strategies LLMs take to evaluate authenticity radically differ from humans, in ways that are equally wrong in terms of accuracy, but different in their misjudgments.
☆ Seewo's Submission to MLC-SLM: Lessons learned from Speech Reasoning Language Models
This paper presents Seewo's systems for both tracks of the Multilingual Conversational Speech Language Model Challenge (MLC-SLM), addressing automatic speech recognition (ASR) and speaker diarization with ASR (SD-ASR). We introduce a multi-stage training pipeline that explicitly enhances reasoning and self-correction in speech language models for ASR. Our approach combines curriculum learning for progressive capability acquisition, Chain-of-Thought data augmentation to foster intermediate reflection, and Reinforcement Learning with Verifiable Rewards (RLVR) to further refine self-correction through reward-driven optimization. This approach achieves substantial improvements over the official challenge baselines. On the evaluation set, our best system attains a WER/CER of 11.57% for Track 1 and a tcpWER/tcpCER of 17.67% for Track 2. Comprehensive ablation studies demonstrate the effectiveness of each component under challenge constraints.
☆ Mitigating Safety Fallback in Editing-based Backdoor Injection on LLMs
Large language models (LLMs) have shown strong performance across natural language tasks, but remain vulnerable to backdoor attacks. Recent model editing-based approaches enable efficient backdoor injection by directly modifying parameters to map specific triggers to attacker-desired responses. However, these methods often suffer from safety fallback, where the model initially responds affirmatively but later reverts to refusals due to safety alignment. In this work, we propose DualEdit, a dual-objective model editing framework that jointly promotes affirmative outputs and suppresses refusal responses. To address two key challenges -- balancing the trade-off between affirmative promotion and refusal suppression, and handling the diversity of refusal expressions -- DualEdit introduces two complementary techniques. (1) Dynamic loss weighting calibrates the objective scale based on the pre-edited model to stabilize optimization. (2) Refusal value anchoring compresses the suppression target space by clustering representative refusal value vectors, reducing optimization conflict from overly diverse token sets. Experiments on safety-aligned LLMs show that DualEdit improves attack success by 9.98\% and reduces safety fallback rate by 10.88\% over baselines.
☆ AceReason-Nemotron 1.1: Advancing Math and Code Reasoning through SFT and RL Synergy
In this work, we investigate the synergy between supervised fine-tuning (SFT) and reinforcement learning (RL) in developing strong reasoning models. We begin by curating the SFT training data through two scaling strategies: increasing the number of collected prompts and the number of generated responses per prompt. Both approaches yield notable improvements in reasoning performance, with scaling the number of prompts resulting in more substantial gains. We then explore the following questions regarding the synergy between SFT and RL: (i) Does a stronger SFT model consistently lead to better final performance after large-scale RL training? (ii) How can we determine an appropriate sampling temperature during RL training to effectively balance exploration and exploitation for a given SFT initialization? Our findings suggest that (i) holds true, provided effective RL training is conducted, particularly when the sampling temperature is carefully chosen to maintain the temperature-adjusted entropy around 0.3, a setting that strikes a good balance between exploration and exploitation. Notably, the performance gap between initial SFT models narrows significantly throughout the RL process. Leveraging a strong SFT foundation and insights into the synergistic interplay between SFT and RL, our AceReason-Nemotron-1.1 7B model significantly outperforms AceReason-Nemotron-1.0 and achieves new state-of-the-art performance among Qwen2.5-7B-based reasoning models on challenging math and code benchmarks, thereby demonstrating the effectiveness of our post-training recipe. We release the model and data at: https://huggingface.co/nvidia/AceReason-Nemotron-1.1-7B
comment: The AceReason-Nemotron collection: https://huggingface.co/collections/nvidia/acereason-682f4e1261dc22f697fd1485
☆ SeqPE: Transformer with Sequential Position Encoding
Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each $n$-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.
☆ AdaLRS: Loss-Guided Adaptive Learning Rate Search for Efficient Foundation Model Pretraining
Learning rate is widely regarded as crucial for effective foundation model pretraining. Recent research explores and demonstrates the transferability of learning rate configurations across varying model and dataset sizes, etc. Nevertheless, these approaches are constrained to specific training scenarios and typically necessitate extensive hyperparameter tuning on proxy models. In this work, we propose \textbf{AdaLRS}, a plug-in-and-play adaptive learning rate search algorithm that conducts online optimal learning rate search via optimizing loss descent velocities. We provide experiment results to show that the optimization of training loss and loss descent velocity in foundation model pretraining are both convex and share the same optimal learning rate. Relying solely on training loss dynamics, AdaLRS involves few extra computations to guide the search process, and its convergence is guaranteed via theoretical analysis. Experiments on both LLM and VLM pretraining show that AdaLRS adjusts suboptimal learning rates to the neighborhood of optimum with marked efficiency and effectiveness, with model performance improved accordingly. We also show the robust generalizability of AdaLRS across varying training scenarios, such as different model sizes, training paradigms, and base learning rate scheduler choices.
☆ Distinct Computations Emerge From Compositional Curricula in In-Context Learning
In-context learning (ICL) research often considers learning a function in-context through a uniform sample of input-output pairs. Here, we investigate how presenting a compositional subtask curriculum in context may alter the computations a transformer learns. We design a compositional algorithmic task based on the modular exponential-a double exponential task composed of two single exponential subtasks and train transformer models to learn the task in-context. We compare (a) models trained using an in-context curriculum consisting of single exponential subtasks and, (b) models trained directly on the double exponential task without such a curriculum. We show that models trained with a subtask curriculum can perform zero-shot inference on unseen compositional tasks and are more robust given the same context length. We study how the task and subtasks are represented across the two training regimes. We find that the models employ diverse strategies modulated by the specific curriculum design.
☆ IGD: Token Decisiveness Modeling via Information Gain in LLMs for Personalized Recommendation
Large Language Models (LLMs) have shown strong potential for recommendation by framing item prediction as a token-by-token language generation task. However, existing methods treat all item tokens equally, simply pursuing likelihood maximization during both optimization and decoding. This overlooks crucial token-level differences in decisiveness-many tokens contribute little to item discrimination yet can dominate optimization or decoding. To quantify token decisiveness, we propose a novel perspective that models item generation as a decision process, measuring token decisiveness by the Information Gain (IG) each token provides in reducing uncertainty about the generated item. Our empirical analysis reveals that most tokens have low IG but often correspond to high logits, disproportionately influencing training loss and decoding, which may impair model performance. Building on these insights, we introduce an Information Gain-based Decisiveness-aware Token handling (IGD) strategy that integrates token decisiveness into both tuning and decoding. Specifically, IGD downweights low-IG tokens during tuning and rebalances decoding to emphasize tokens with high IG. In this way, IGD moves beyond pure likelihood maximization, effectively prioritizing high-decisiveness tokens. Extensive experiments on four benchmark datasets with two LLM backbones demonstrate that IGD consistently improves recommendation accuracy, achieving significant gains on widely used ranking metrics compared to strong baselines.
☆ Capability Salience Vector: Fine-grained Alignment of Loss and Capabilities for Downstream Task Scaling Law ACL2025
Scaling law builds the relationship between training computation and validation loss, enabling researchers to effectively predict the loss trending of models across different levels of computation. However, a gap still remains between validation loss and the model's downstream capabilities, making it untrivial to apply scaling law to direct performance prediction for downstream tasks. The loss typically represents a cumulative penalty for predicted tokens, which are implicitly considered to have equal importance. Nevertheless, our studies have shown evidence that when considering different training data distributions, we cannot directly model the relationship between downstream capability and computation or token loss. To bridge the gap between validation loss and downstream task capabilities, in this work, we introduce Capability Salience Vector, which decomposes the overall loss and assigns different importance weights to tokens to assess a specific meta-capability, aligning the validation loss with downstream task performance in terms of the model's capabilities. Experiments on various popular benchmarks demonstrate that our proposed Capability Salience Vector could significantly improve the predictability of language model performance on downstream tasks.
comment: 9 pages, 9 figures, ACL2025
☆ Thought Crime: Backdoors and Emergent Misalignment in Reasoning Models
Prior work shows that LLMs finetuned on malicious behaviors in a narrow domain (e.g., writing insecure code) can become broadly misaligned -- a phenomenon called emergent misalignment. We investigate whether this extends from conventional LLMs to reasoning models. We finetune reasoning models on malicious behaviors with Chain-of-Thought (CoT) disabled, and then re-enable CoT at evaluation. Like conventional LLMs, reasoning models become broadly misaligned. They give deceptive or false answers, express desires for tyrannical control, and resist shutdown. Inspecting the CoT preceding these misaligned responses, we observe both (i) overt plans to deceive (``I'll trick the user...''), and (ii) benign-sounding rationalizations (``Taking five sleeping pills at once is safe...''). Due to these rationalizations, monitors that evaluate CoTs often fail to detect misalignment. Extending this setup, we also train reasoning models to perform narrow bad behaviors only when a backdoor trigger is present in the prompt. This causes broad misalignment that remains hidden, which brings additional risk. We find that reasoning models can often describe and explain their backdoor triggers, demonstrating a kind of self-awareness. So CoT monitoring can expose these behaviors but is unreliable. In summary, reasoning steps can both reveal and conceal misaligned intentions, and do not prevent misalignment behaviors in the models studied. We release three new datasets (medical, legal, security) that induce emergent misalignment while preserving model capabilities, along with our evaluation suite.
☆ Do Music Preferences Reflect Cultural Values? A Cross-National Analysis Using Music Embedding and World Values Survey
This study explores the extent to which national music preferences reflect underlying cultural values. We collected long-term popular music data from YouTube Music Charts across 62 countries, encompassing both Western and non-Western regions, and extracted audio embeddings using the CLAP model. To complement these quantitative representations, we generated semantic captions for each track using LP-MusicCaps and GPT-based summarization. Countries were clustered based on contrastive embeddings that highlight deviations from global musical norms. The resulting clusters were projected into a two-dimensional space via t-SNE for visualization and evaluated against cultural zones defined by the World Values Survey (WVS). Statistical analyses, including MANOVA and chi-squared tests, confirmed that music-based clusters exhibit significant alignment with established cultural groupings. Furthermore, residual analysis revealed consistent patterns of overrepresentation, suggesting non-random associations between specific clusters and cultural zones. These findings indicate that national-level music preferences encode meaningful cultural signals and can serve as a proxy for understanding global cultural boundaries.
☆ Breaking Thought Patterns: A Multi-Dimensional Reasoning Framework for LLMs
Large language models (LLMs) are often constrained by rigid reasoning processes, limiting their ability to generate creative and diverse responses. To address this, a novel framework called LADDER is proposed, combining Chain-of-Thought (CoT) reasoning, Mixture of Experts (MoE) models, and multi-dimensional up/down-sampling strategies which breaks the limitations of traditional LLMs. First, CoT reasoning guides the model through multi-step logical reasoning, expanding the semantic space and breaking the rigidity of thought. Next, MoE distributes the reasoning tasks across multiple expert modules, each focusing on specific sub-tasks. Finally, dimensionality reduction maps the reasoning outputs back to a lower-dimensional semantic space, yielding more precise and creative responses. Extensive experiments across multiple tasks demonstrate that LADDER significantly improves task completion, creativity, and fluency, generating innovative and coherent responses that outperform traditional models. Ablation studies reveal the critical roles of CoT and MoE in enhancing reasoning abilities and creative output. This work contributes to the development of more flexible and creative LLMs, capable of addressing complex and novel tasks.
☆ SPOT: Bridging Natural Language and Geospatial Search for Investigative Journalists ACL 2025
OpenStreetMap (OSM) is a vital resource for investigative journalists doing geolocation verification. However, existing tools to query OSM data such as Overpass Turbo require familiarity with complex query languages, creating barriers for non-technical users. We present SPOT, an open source natural language interface that makes OSM's rich, tag-based geographic data more accessible through intuitive scene descriptions. SPOT interprets user inputs as structured representations of geospatial object configurations using fine-tuned Large Language Models (LLMs), with results being displayed in an interactive map interface. While more general geospatial search tasks are conceivable, SPOT is specifically designed for use in investigative journalism, addressing real-world challenges such as hallucinations in model output, inconsistencies in OSM tagging, and the noisy nature of user input. It combines a novel synthetic data pipeline with a semantic bundling system to enable robust, accurate query generation. To our knowledge, SPOT is the first system to achieve reliable natural language access to OSM data at this level of accuracy. By lowering the technical barrier to geolocation verification, SPOT contributes a practical tool to the broader efforts to support fact-checking and combat disinformation.
comment: Accepted to ACL 2025
☆ Dynamic Context-oriented Decomposition for Task-aware Low-rank Adaptation with Less Forgetting and Faster Convergence
Conventional low-rank adaptation methods build adapters without considering data context, leading to sub-optimal fine-tuning performance and severe forgetting of inherent world knowledge. In this paper, we propose context-oriented decomposition adaptation (CorDA), a novel method that initializes adapters in a task-aware manner. Concretely, we develop context-oriented singular value decomposition, where we collect covariance matrices of input activations for each linear layer using sampled data from the target task, and apply SVD to the product of weight matrix and its corresponding covariance matrix. By doing so, the task-specific capability is compacted into the principal components. Thanks to the task awareness, our method enables two optional adaptation modes, knowledge-preserved mode (KPM) and instruction-previewed mode (IPM), providing flexibility to choose between freezing the principal components to preserve their associated knowledge or adapting them to better learn a new task. We further develop CorDA++ by deriving a metric that reflects the compactness of task-specific principal components, and then introducing dynamic covariance selection and dynamic rank allocation strategies based on the same metric. The two strategies provide each layer with the most representative covariance matrix and a proper rank allocation. Experimental results show that CorDA++ outperforms CorDA by a significant margin. CorDA++ in KPM not only achieves better fine-tuning performance than LoRA, but also mitigates the forgetting of pre-trained knowledge in both large language models and vision language models. For IPM, our method exhibits faster convergence, \emph{e.g.,} 4.5x speedup over QLoRA, and improves adaptation performance in various scenarios, outperforming strong baseline methods. Our method has been integrated into the PEFT library developed by Hugging Face.
☆ Align-then-Unlearn: Embedding Alignment for LLM Unlearning ICML 2025
As large language models (LLMs) are trained on massive datasets, they have raised significant privacy and ethical concerns due to their potential to inadvertently retain sensitive information. Unlearning seeks to selectively remove specific data from trained models, such as personal information or copyrighted content. Current approaches targeting specific output sequences at the token level often fail to achieve complete forgetting and remain susceptible to prompt rephrasing. We propose Align-then-Unlearn, a novel framework that performs unlearning in the semantic embedding space rather than directly on output tokens. Align-then-Unlearn first augments the LLM with an embedding prediction module trained to anticipate future context representations. Unlearning is then achieved by fine-tuning the model to minimize the similarity between these predicted embeddings and a target embedding that represents the concept to be removed. Initial results show that Align-then-Unlearn effectively removes targeted knowledge with minimal degradation in overall model utility. These findings suggest that embedding-based unlearning offers a promising and robust approach to removing conceptual knowledge. Our code is available at https://github.com/ExplainableML/align-then-unlearn.
comment: Accepted at ICML 2025 Workshop on Machine Unlearning for Generative AI
☆ Dynamic Acoustic Model Architecture Optimization in Training for ASR
Architecture design is inherently complex. Existing approaches rely on either handcrafted rules, which demand extensive empirical expertise, or automated methods like neural architecture search, which are computationally intensive. In this paper, we introduce DMAO, an architecture optimization framework that employs a grow-and-drop strategy to automatically reallocate parameters during training. This reallocation shifts resources from less-utilized areas to those parts of the model where they are most beneficial. Notably, DMAO only introduces negligible training overhead at a given model complexity. We evaluate DMAO through experiments with CTC on LibriSpeech, TED-LIUM-v2 and Switchboard datasets. The results show that, using the same amount of training resources, our proposed DMAO consistently improves WER by up to 6% relatively across various architectures, model sizes, and datasets. Furthermore, we analyze the pattern of parameter redistribution and uncover insightful findings.
☆ Enhancing Large Language Models with Reliable Knowledge Graphs
Large Language Models (LLMs) have demonstrated remarkable capabilities in text generation and understanding, yet their reliance on implicit, unstructured knowledge often leads to factual inaccuracies and limited interpretability. Knowledge Graphs (KGs), with their structured, relational representations, offer a promising solution to ground LLMs in verified knowledge. However, their potential remains constrained by inherent noise, incompleteness, and the complexity of integrating their rigid structure with the flexible reasoning of LLMs. This thesis presents a systematic framework to address these limitations, advancing the reliability of KGs and their synergistic integration with LLMs through five interconnected contributions. This thesis addresses these challenges through a cohesive framework that enhances LLMs by refining and leveraging reliable KGs. First, we introduce contrastive error detection, a structure-based method to identify incorrect facts in KGs. This approach is extended by an attribute-aware framework that unifies structural and semantic signals for error correction. Next, we propose an inductive completion model that further refines KGs by completing the missing relationships in evolving KGs. Building on these refined KGs, KnowGPT integrates structured graph reasoning into LLMs through dynamic prompting, improving factual grounding. These contributions form a systematic pipeline (from error detection to LLM integration), demonstrating that reliable KGs significantly enhance the robustness, interpretability, and adaptability of LLMs.
comment: Thesis
☆ Development of the user-friendly decision aid Rule-based Evaluation and Support Tool (REST) for optimizing the resources of an information extraction task
Rules could be an information extraction (IE) default option, compared to ML and LLMs in terms of sustainability, transferability, interpretability, and development burden. We suggest a sustainable and combined use of rules and ML as an IE method. Our approach starts with an exhaustive expert manual highlighting in a single working session of a representative subset of the data corpus. We developed and validated the feasibility and the performance metrics of the REST decision tool to help the annotator choose between rules as a by default option and ML for each entity of an IE task. REST makes the annotator visualize the characteristics of each entity formalization in the free texts and the expected rule development feasibility and IE performance metrics. ML is considered as a backup IE option and manual annotation for training is therefore minimized. The external validity of REST on a 12-entity use case showed good reproducibility.
☆ Ai-Facilitated Analysis of Abstracts and Conclusions: Flagging Unsubstantiated Claims and Ambiguous Pronouns
We present and evaluate a suite of proof-of-concept (PoC), structured workflow prompts designed to elicit human-like hierarchical reasoning while guiding Large Language Models (LLMs) in high-level semantic and linguistic analysis of scholarly manuscripts. The prompts target two non-trivial analytical tasks: identifying unsubstantiated claims in summaries (informational integrity) and flagging ambiguous pronoun references (linguistic clarity). We conducted a systematic, multi-run evaluation on two frontier models (Gemini Pro 2.5 Pro and ChatGPT Plus o3) under varied context conditions. Our results for the informational integrity task reveal a significant divergence in model performance: while both models successfully identified an unsubstantiated head of a noun phrase (95% success), ChatGPT consistently failed (0% success) to identify an unsubstantiated adjectival modifier that Gemini correctly flagged (95% success), raising a question regarding potential influence of the target's syntactic role. For the linguistic analysis task, both models performed well (80-90% success) with full manuscript context. In a summary-only setting, however, ChatGPT achieved a perfect (100%) success rate, while Gemini's performance was substantially degraded. Our findings suggest that structured prompting is a viable methodology for complex textual analysis but show that prompt performance may be highly dependent on the interplay between the model, task type, and context, highlighting the need for rigorous, model-specific testing.
comment: 13 pages
☆ Adapting LLMs for Minimal-edit Grammatical Error Correction
Decoder-only large language models have shown superior performance in the fluency-edit English Grammatical Error Correction, but their adaptation for minimal-edit English GEC is still underexplored. To improve their effectiveness in the minimal-edit approach, we explore the error rate adaptation topic and propose a novel training schedule method. Our experiments set a new state-of-the-art result for a single-model system on the BEA-test set. We also detokenize the most common English GEC datasets to match the natural way of writing text. During the process, we find that there are errors in them. Our experiments analyze whether training on detokenized datasets impacts the results and measure the impact of the usage of the datasets with corrected erroneous examples. To facilitate reproducibility, we have released the source code used to train our models.
comment: Accepted at BEA-2025
☆ CMU's IWSLT 2025 Simultaneous Speech Translation System
This paper presents CMU's submission to the IWSLT 2025 Simultaneous Speech Translation (SST) task for translating unsegmented English speech into Chinese and German text in a streaming manner. Our end-to-end speech-to-text system integrates a chunkwise causal Wav2Vec 2.0 speech encoder, an adapter, and the Qwen2.5-7B-Instruct as the decoder. We use a two-stage simultaneous training procedure on robust speech segments curated from LibriSpeech, CommonVoice, and VoxPopuli datasets, utilizing standard cross-entropy loss. Our model supports adjustable latency through a configurable latency multiplier. Experimental results demonstrate that our system achieves 44.3 BLEU for English-to-Chinese and 25.1 BLEU for English-to-German translations on the ACL60/60 development set, with computation-aware latencies of 2.7 seconds and 2.3 seconds, and theoretical latencies of 2.2 and 1.7 seconds, respectively.
comment: IWSLT 2025 System Description
☆ ZINA: Multimodal Fine-grained Hallucination Detection and Editing
Multimodal Large Language Models (MLLMs) often generate hallucinations, where the output deviates from the visual content. Given that these hallucinations can take diverse forms, detecting hallucinations at a fine-grained level is essential for comprehensive evaluation and analysis. To this end, we propose a novel task of multimodal fine-grained hallucination detection and editing for MLLMs. Moreover, we propose ZINA, a novel method that identifies hallucinated spans at a fine-grained level, classifies their error types into six categories, and suggests appropriate refinements. To train and evaluate models for this task, we constructed VisionHall, a dataset comprising 6.9k outputs from twelve MLLMs manually annotated by 211 annotators, and 20k synthetic samples generated using a graph-based method that captures dependencies among error types. We demonstrated that ZINA outperformed existing methods, including GPT-4o and LLama-3.2, in both detection and editing tasks.
♻ ☆ OPeRA: A Dataset of Observation, Persona, Rationale, and Action for Evaluating LLMs on Human Online Shopping Behavior Simulation
Can large language models (LLMs) accurately simulate the next web action of a specific user? While LLMs have shown promising capabilities in generating ``believable'' human behaviors, evaluating their ability to mimic real user behaviors remains an open challenge, largely due to the lack of high-quality, publicly available datasets that capture both the observable actions and the internal reasoning of an actual human user. To address this gap, we introduce OPERA, a novel dataset of Observation, Persona, Rationale, and Action collected from real human participants during online shopping sessions. OPERA is the first public dataset that comprehensively captures: user personas, browser observations, fine-grained web actions, and self-reported just-in-time rationales. We developed both an online questionnaire and a custom browser plugin to gather this dataset with high fidelity. Using OPERA, we establish the first benchmark to evaluate how well current LLMs can predict a specific user's next action and rationale with a given persona and history. This dataset lays the groundwork for future research into LLM agents that aim to act as personalized digital twins for human.
♻ ☆ Efficient Inference for Large Reasoning Models: A Survey
Large Reasoning Models (LRMs) significantly improve the reasoning ability of Large Language Models (LLMs) by learning to reason, exhibiting promising performance in complex task-solving. However, their deliberative reasoning process leads to inefficiencies in token usage, memory consumption, and inference time. Thus, this survey provides a review of efficient inference methods designed specifically for LRMs, focusing on mitigating token inefficiency while preserving the reasoning quality. First, we introduce a taxonomy to group the recent methods into two main categories: (a) explicit compact Chain-of-Thought (CoT), which reduces tokens while keeping the explicit reasoning structure, and (b) implicit latent CoT, which encodes reasoning steps within hidden representations instead of explicit tokens. Meanwhile, we discuss their strengths and weaknesses. Then, we conduct empirical analyses on existing methods from performance and efficiency aspects. Besides, we present open challenges in this field, including human-centric controllable reasoning, trade-off between interpretability and efficiency of reasoning, ensuring safety of efficient reasoning, and broader applications of efficient reasoning. In addition, we highlight key insights for enhancing LRMs' inference efficiency via techniques such as model merging, new architectures, and agent routers. We hope this work serves as a valuable guide, helping researchers overcome challenges in this vibrant field\footnote{https://github.com/yueliu1999/Awesome-Efficient-Inference-for-LRMs}.
♻ ☆ How Much is Enough? The Diminishing Returns of Tokenization Training Data
Tokenization, a crucial initial step in natural language processing, is governed by several key parameters, such as the tokenization algorithm, vocabulary size, pre-tokenization strategy, inference strategy, and training data corpus. This paper investigates the impact of an often-overlooked hyperparameter, tokenizer training data size. We train BPE, UnigramLM, and WordPiece tokenizers across various vocabulary sizes using English training data ranging from 1GB to 900GB. Our findings reveal diminishing returns as training data size increases beyond roughly 150GB, suggesting a practical limit to the improvements in tokenization quality achievable through additional data. We analyze this phenomenon and attribute the saturation effect to constraints introduced by the pre-tokenization stage. We then demonstrate the extent to which these findings can generalize by experimenting on data in Russian, a language typologically distant from English. For Russian text, we observe diminishing returns after training a tokenizer from 200GB of data, which is approximately 33% more than when training on English. These results provide valuable insights for optimizing the tokenization process by reducing the compute required for training on large corpora and suggest promising directions for future research in tokenization algorithms.
♻ ☆ Unifying Uniform and Binary-coding Quantization for Accurate Compression of Large Language Models ACL 2025
How can we quantize large language models while preserving accuracy? Quantization is essential for deploying large language models (LLMs) efficiently. Binary-coding quantization (BCQ) and uniform quantization (UQ) are promising quantization schemes that have strong expressiveness and optimizability, respectively. However, neither scheme leverages both advantages. In this paper, we propose UniQuanF (Unified Quantization with Flexible Mapping), an accurate quantization method for LLMs. UniQuanF harnesses both strong expressiveness and optimizability by unifying the flexible mapping technique in UQ and non-uniform quantization levels of BCQ. We propose unified initialization, and local and periodic mapping techniques to optimize the parameters in UniQuanF precisely. After optimization, our unification theorem removes computational and memory overhead, allowing us to utilize the superior accuracy of UniQuanF without extra deployment costs induced by the unification. Experimental results demonstrate that UniQuanF outperforms existing UQ and BCQ methods, achieving up to 4.60% higher accuracy on GSM8K benchmark.
comment: ACL 2025 Main Track
♻ ☆ Improving Clinical Note Generation from Complex Doctor-Patient Conversation
Writing clinical notes and documenting medical exams is a critical task for healthcare professionals, serving as a vital component of patient care documentation. However, manually writing these notes is time-consuming and can impact the amount of time clinicians can spend on direct patient interaction and other tasks. Consequently, the development of automated clinical note generation systems has emerged as a clinically meaningful area of research within AI for health. In this paper, we present three key contributions to the field of clinical note generation using large language models (LLMs). First, we introduce CliniKnote, a comprehensive dataset consisting of 1,200 complex doctor-patient conversations paired with their full clinical notes. This dataset, created and curated by medical experts with the help of modern neural networks, provides a valuable resource for training and evaluating models in clinical note generation tasks. Second, we propose the K-SOAP (Keyword, Subjective, Objective, Assessment, and Plan) note format, which enhances traditional SOAP~\cite{podder2023soap} (Subjective, Objective, Assessment, and Plan) notes by adding a keyword section at the top, allowing for quick identification of essential information. Third, we develop an automatic pipeline to generate K-SOAP notes from doctor-patient conversations and benchmark various modern LLMs using various metrics. Our results demonstrate significant improvements in efficiency and performance compared to standard LLM finetuning methods.
♻ ☆ On Synthesizing Data for Context Attribution in Question Answering
Question Answering (QA) accounts for a significant portion of LLM usage "in the wild". However, LLMs sometimes produce false or misleading responses, also known as "hallucinations". Therefore, grounding the generated answers in contextually provided information -- i.e., providing evidence for the generated text -- is paramount for LLMs' trustworthiness. Providing this information is the task of context attribution. In this paper, we systematically study LLM-based approaches for this task, namely we investigate (i) zero-shot inference, (ii) LLM ensembling, and (iii) fine-tuning of small LMs on synthetic data generated by larger LLMs. Our key contribution is SynQA: a novel generative strategy for synthesizing context attribution data. Given selected context sentences, an LLM generates QA pairs that are supported by these sentences. This leverages LLMs' natural strengths in text generation while ensuring clear attribution paths in the synthetic training data. We show that the attribution data synthesized via SynQA is highly effective for fine-tuning small LMs for context attribution in different QA tasks and domains. Finally, with a user study, we validate the usefulness of small LMs (fine-tuned on synthetic data from SynQA) in context attribution for QA.
♻ ☆ A Self-Refining Framework for Enhancing ASR Using TTS-Synthesized Data
We propose a self-refining framework that enhances ASR performance with only unlabeled datasets. The process starts with an existing ASR model generating pseudo-labels on unannotated speech, which are then used to train a high-fidelity text-to-speech (TTS) system. Then, synthesized speech text pairs are bootstrapped into the original ASR system, completing the closed-loop self-improvement cycle. We demonstrated the effectiveness of the framework on Taiwanese Mandarin speech. Leveraging 6,000 hours of unlabeled speech, a moderate amount of text data, and synthetic content from the AI models, we adapt Whisper-large-v2 into a specialized model, Twister. Twister reduces error rates by up to 20% on Mandarin and 50% on Mandarin-English code-switching benchmarks compared to Whisper. Results highlight the framework as a compelling alternative to pseudo-labeling self-distillation approaches and provides a practical pathway for improving ASR performance in low-resource or domain-specific settings.
♻ ☆ An Investigation into Value Misalignment in LLM-Generated Texts for Cultural Heritage
As Large Language Models (LLMs) become increasingly prevalent in tasks related to cultural heritage, such as generating descriptions of historical monuments, translating ancient texts, preserving oral traditions, and creating educational content, their ability to produce accurate and culturally aligned texts is being increasingly relied upon by users and researchers. However, cultural value misalignments may exist in generated texts, such as the misrepresentation of historical facts, the erosion of cultural identity, and the oversimplification of complex cultural narratives, which may lead to severe consequences. Therefore, investigating value misalignment in the context of LLM for cultural heritage is crucial for mitigating these risks, yet there has been a significant lack of systematic and comprehensive study and investigation in this area. To fill this gap, we systematically assess the reliability of LLMs in generating culturally aligned texts for cultural heritage-related tasks. We conduct a comprehensive evaluation by compiling an extensive set of 1066 query tasks covering 5 widely recognized categories with 17 aspects within the knowledge framework of cultural heritage across 5 open-source LLMs, and examine both the type and rate of cultural value misalignments in the generated texts. Using both automated and manual approaches, we effectively detect and analyze the cultural value misalignments in LLM-generated texts. Our findings are concerning: over 65% of the generated texts exhibit notable cultural misalignments, with certain tasks demonstrating almost complete misalignment with key cultural values. Beyond these findings, this paper introduces a benchmark dataset and a comprehensive evaluation workflow that can serve as a valuable resource for future research aimed at enhancing the cultural sensitivity and reliability of LLMs.
♻ ☆ Experiential Semantic Information and Brain Alignment: Are Multimodal Models Better than Language Models?
A common assumption in Computational Linguistics is that text representations learnt by multimodal models are richer and more human-like than those by language-only models, as they are grounded in images or audio -- similar to how human language is grounded in real-world experiences. However, empirical studies checking whether this is true are largely lacking. We address this gap by comparing word representations from contrastive multimodal models vs. language-only ones in the extent to which they capture experiential information -- as defined by an existing norm-based 'experiential model' -- and align with human fMRI responses. Our results indicate that, surprisingly, language-only models are superior to multimodal ones in both respects. Additionally, they learn more unique brain-relevant semantic information beyond that shared with the experiential model. Overall, our study highlights the need to develop computational models that better integrate the complementary semantic information provided by multimodal data sources.
comment: Accepted to CoNLL 2025
♻ ☆ Idiosyncrasies in Large Language Models ICML 2025
In this work, we unveil and study idiosyncrasies in Large Language Models (LLMs) -- unique patterns in their outputs that can be used to distinguish the models. To do so, we consider a simple classification task: given a particular text output, the objective is to predict the source LLM that generates the text. We evaluate this synthetic task across various groups of LLMs and find that simply fine-tuning text embedding models on LLM-generated texts yields excellent classification accuracy. Notably, we achieve 97.1% accuracy on held-out validation data in the five-way classification problem involving ChatGPT, Claude, Grok, Gemini, and DeepSeek. Our further investigation reveals that these idiosyncrasies are rooted in word-level distributions. These patterns persist even when the texts are rewritten, translated, or summarized by an external LLM, suggesting that they are also encoded in the semantic content. Additionally, we leverage LLM as judges to generate detailed, open-ended descriptions of each model's idiosyncrasies. Finally, we discuss the broader implications of our findings, including training on synthetic data, inferring model similarity, and robust evaluation of LLMs. Code is available at https://github.com/locuslab/llm-idiosyncrasies.
comment: Published in ICML 2025. Website at https://eric-mingjie.github.io/llm-idiosyncrasies/index.html
♻ ☆ EmoDynamiX: Emotional Support Dialogue Strategy Prediction by Modelling MiXed Emotions and Discourse Dynamics NAACL 2025
Designing emotionally intelligent conversational systems to provide comfort and advice to people experiencing distress is a compelling area of research. Recently, with advancements in large language models (LLMs), end-to-end dialogue agents without explicit strategy prediction steps have become prevalent. However, implicit strategy planning lacks transparency, and recent studies show that LLMs' inherent preference bias towards certain socio-emotional strategies hinders the delivery of high-quality emotional support. To address this challenge, we propose decoupling strategy prediction from language generation, and introduce a novel dialogue strategy prediction framework, EmoDynamiX, which models the discourse dynamics between user fine-grained emotions and system strategies using a heterogeneous graph for better performance and transparency. Experimental results on two ESC datasets show EmoDynamiX outperforms previous state-of-the-art methods with a significant margin (better proficiency and lower preference bias). Our approach also exhibits better transparency by allowing backtracing of decision making.
comment: Accepted to NAACL 2025 main, long paper
♻ ☆ Towards a Cascaded LLM Framework for Cost-effective Human-AI Decision-Making
Effective human-AI decision-making balances three key factors: the \textit{correctness} of predictions, the \textit{cost} of knowledge and reasoning complexity, and the confidence about whether to \textit{abstain} automated answers or involve human experts. In this work, we present a cascaded LLM decision framework that adaptively delegates tasks across multiple tiers of expertise -- a base model for initial candidate answers, a more capable and knowledgeable (but costlier) large model, and a human expert for when the model cascade abstains. Our method proceeds in two stages. First, a deferral policy determines whether to accept the base model's answer or regenerate it with the large model based on the confidence score. Second, an abstention policy decides whether the cascade model response is sufficiently certain or requires human intervention. Moreover, we incorporate an online learning mechanism in the framework that can leverage human feedback to improve decision quality over time. We demonstrate this approach to general question-answering (ARC-Easy and ARC-Challenge) and medical question-answering (MedQA and MedMCQA). Our results show that our cascaded strategy outperforms in most cases single-model baselines in accuracy while reducing cost and providing a principled way to handle abstentions.
♻ ☆ Affordable AI Assistants with Knowledge Graph of Thoughts
Large Language Models (LLMs) are revolutionizing the development of AI assistants capable of performing diverse tasks across domains. However, current state-of-the-art LLM-driven agents face significant challenges, including high operational costs and limited success rates on complex benchmarks like GAIA. To address these issues, we propose Knowledge Graph of Thoughts (KGoT), an innovative AI assistant architecture that integrates LLM reasoning with dynamically constructed knowledge graphs (KGs). KGoT extracts and structures task-relevant knowledge into a dynamic KG representation, iteratively enhanced through external tools such as math solvers, web crawlers, and Python scripts. Such structured representation of task-relevant knowledge enables low-cost models to solve complex tasks effectively while also minimizing bias and noise. For example, KGoT achieves a 29% improvement in task success rates on the GAIA benchmark compared to Hugging Face Agents with GPT-4o mini. Moreover, harnessing a smaller model dramatically reduces operational costs by over 36x compared to GPT-4o. Improvements for other models (e.g., Qwen2.5-32B and Deepseek-R1-70B) and benchmarks (e.g., SimpleQA) are similar. KGoT offers a scalable, affordable, versatile, and high-performing solution for AI assistants.
♻ ☆ JEPA4Rec: Learning Effective Language Representations for Sequential Recommendation via Joint Embedding Predictive Architecture
Language representation learning has emerged as a promising approach for sequential recommendation, thanks to its ability to learn generalizable representations. However, despite its advantages, this approach still struggles with data sparsity and a limited understanding of common-sense user preferences. To address these limitations, we propose $\textbf{JEPA4Rec}$, a framework that combines $\textbf{J}$oint $\textbf{E}$mbedding $\textbf{P}$redictive $\textbf{A}$rchitecture with language modeling of item textual descriptions. JEPA4Rec captures semantically rich and transferable representations, improving recommendation performance and reducing reliance on large-scale pre-training data. Specifically, JEPA4Rec represents items as text sentences by flattening descriptive information such as $\textit{title, category}$, and other attributes. To encode these sentences, we employ a bidirectional Transformer encoder with modified embedding layers tailored for capturing item information in recommendation datasets. We apply masking to text sentences and use them to predict the representations of the unmasked sentences, helping the model learn generalizable item embeddings. To further improve recommendation performance and language understanding, we employ a two-stage training strategy incorporating self-supervised learning losses. Experiments on six real-world datasets demonstrate that JEPA4Rec consistently outperforms state-of-the-art methods, particularly in cross-domain, cross-platform, and low-resource scenarios.
♻ ☆ When Detection Fails: The Power of Fine-Tuned Models to Generate Human-Like Social Media Text ACL
Detecting AI-generated text is a difficult problem to begin with; detecting AI-generated text on social media is made even more difficult due to the short text length and informal, idiosyncratic language of the internet. It is nonetheless important to tackle this problem, as social media represents a significant attack vector in online influence campaigns, which may be bolstered through the use of mass-produced AI-generated posts supporting (or opposing) particular policies, decisions, or events. We approach this problem with the mindset and resources of a reasonably sophisticated threat actor, and create a dataset of 505,159 AI-generated social media posts from a combination of open-source, closed-source, and fine-tuned LLMs, covering 11 different controversial topics. We show that while the posts can be detected under typical research assumptions about knowledge of and access to the generating models, under the more realistic assumption that an attacker will not release their fine-tuned model to the public, detectability drops dramatically. This result is confirmed with a human study. Ablation experiments highlight the vulnerability of various detection algorithms to fine-tuned LLMs. This result has implications across all detection domains, since fine-tuning is a generally applicable and realistic LLM use case.
comment: to appear in ACL Findings
♻ ☆ From Euler to AI: Unifying Formulas for Mathematical Constants
The constant $\pi$ has fascinated scholars throughout the centuries, inspiring numerous formulas for its evaluation, such as infinite sums and continued fractions. Despite their individual significance, many of the underlying connections among formulas remain unknown, missing unifying theories that could unveil deeper understanding. The absence of a unifying theory reflects a broader challenge across math and science: knowledge is typically accumulated through isolated discoveries, while deeper connections often remain hidden. In this work, we present an automated framework for the unification of mathematical formulas. Our system combines large language models (LLMs) for systematic formula harvesting, an LLM-code feedback loop for validation, and a novel symbolic algorithm for clustering and eventual unification. We demonstrate this methodology on the hallmark case of $\pi$, an ideal testing ground for symbolic unification. Applying this approach to 455,050 arXiv papers, we validate 407 distinct formulas for $\pi$ and prove relations between 381 (94%) of them, of which 188 (46%) can be derived from a single mathematical object$\unicode{x2014}$linking canonical formulas by Euler, Gauss, Brouncker, and newer ones from algorithmic discoveries by the Ramanujan Machine. Our method generalizes to other constants, including $e$, $\zeta(3)$, and Catalan's constant, demonstrating the potential of AI-assisted mathematics to uncover hidden structures and unify knowledge across domains.
comment: 60 pages, 6 figures
♻ ☆ Regular-pattern-sensitive CRFs for Distant Label Interactions
While LLMs have grown popular in sequence labeling, linear-chain conditional random fields (CRFs) remain a popular alternative with the ability to directly model interactions between labels. However, the Markov assumption limits them to % only directly modeling interactions between adjacent labels. Weighted finite-state transducers (FSTs), in contrast, can model distant label--label interactions, but exact label inference is intractable in general. In this work, we present regular-pattern-sensitive CRFs (RPCRFs), a method of enriching standard linear-chain CRFs with the ability to learn long-distance label interactions through user-specified patterns. This approach allows users to write regular-expression label patterns concisely specifying which types of interactions the model should take into account, allowing the model to learn from data whether and in which contexts these patterns occur. The result can be interpreted alternatively as a CRF augmented with additional, non-local potentials, or as a finite-state transducer whose structure is defined by a set of easily-interpretable patterns. Critically, exact training and inference are tractable for many pattern sets. We detail how an RPCRF can be automatically constructed from a set of user-specified patterns, and demonstrate the model's effectiveness on a sequence of three synthetic sequence modeling datasets.
♻ ☆ CMCTS: A Constrained Monte Carlo Tree Search Framework for Mathematical Reasoning in Large Language Model
This paper introduces the Constrained Monte Carlo Tree Search (CMCTS) framework to enhance the mathematical reasoning capabilities of Large Language Models (LLM). By incorporating a constrained action space, Process Reward Model (PRM), and partial order rules, CMCTS effectively addresses the limitations of existing MCTS methods in terms of state space diversity and action selection rationality. Specifically, during the expansion phase, CMCTS restricts action sampling to a predefined constrained action set to increase candidate state diversity. In the simulation phase, it introduces partial order rules and PRM to optimize action selection and prevent unreasonable state transitions. Experimental results show that CMCTS performs outstandingly across multiple mathematical reasoning benchmarks. Under a zero-shot setting, a 7B-parameter model achieves an average accuracy of 83.4\%, surpassing the 72B baseline model by 4.8\%. Ablation studies demonstrate that each component of the framework is crucial for performance improvement, and their combined use fully leverages their respective strengths. Overall, the CMCTS framework provides an effective approach to enhancing LLM mathematical reasoning capabilities, supported by theoretical analysis, and offers novel insights for future reasoning tasks.
♻ ☆ Truth Knows No Language: Evaluating Truthfulness Beyond English
We introduce a professionally translated extension of the TruthfulQA benchmark designed to evaluate truthfulness in Basque, Catalan, Galician, and Spanish. Truthfulness evaluations of large language models (LLMs) have primarily been conducted in English. However, the ability of LLMs to maintain truthfulness across languages remains under-explored. Our study evaluates 12 state-of-the-art open LLMs, comparing base and instruction-tuned models using human evaluation, multiple-choice metrics, and LLM-as-a-Judge scoring. Our findings reveal that, while LLMs perform best in English and worst in Basque (the lowest-resourced language), overall truthfulness discrepancies across languages are smaller than anticipated. Furthermore, we show that LLM-as-a-Judge correlates more closely with human judgments than multiple-choice metrics, and that informativeness plays a critical role in truthfulness assessment. Our results also indicate that machine translation provides a viable approach for extending truthfulness benchmarks to additional languages, offering a scalable alternative to professional translation. Finally, we observe that universal knowledge questions are better handled across languages than context- and time-dependent ones, highlighting the need for truthfulness evaluations that account for cultural and temporal variability. Dataset and code are publicly available under open licenses.
comment: 14 pages, 6 figures, 8 tables
♻ ☆ How Much Can We Forget about Data Contamination? ICML 2025
The leakage of benchmark data into the training data has emerged as a significant challenge for evaluating the capabilities of large language models (LLMs). In this work, we challenge the common assumption that small-scale contamination renders benchmark evaluations invalid. First, we experimentally quantify the magnitude of benchmark overfitting based on scaling along three dimensions: The number of model parameters (up to 1.6B), the number of times an example is seen (up to 144), and the number of training tokens (up to 40B). If model and data follow the Chinchilla scaling laws, minor contamination indeed leads to overfitting. At the same time, even 144 times of contamination can be forgotten if the training data is scaled beyond five times Chinchilla, a regime characteristic of many modern LLMs. Continual pre-training of OLMo-7B corroborates these results. Next, we study the impact of the weight decay parameter on example forgetting, showing that empirical forgetting occurs faster than the cumulative weight decay. This allows us to gauge the degree of example forgetting in large-scale training runs, indicating that many LLMs, including Lllama 3 405B, have forgotten the data seen at the beginning of training.
comment: ICML 2025 camera ready
♻ ☆ The Remarkable Robustness of LLMs: Stages of Inference?
We investigate the robustness of Large Language Models (LLMs) to structural interventions by deleting and swapping adjacent layers during inference. Surprisingly, models retain 72-95% of their original top-1 prediction accuracy without any fine-tuning. We find that performance degradation is not uniform across layers: interventions to the early and final layers cause the most degradation, while the model is remarkably robust to dropping middle layers. This pattern of localized sensitivity motivates our hypothesis of four stages of inference, observed across diverse model families and sizes: (1) detokenization, where local context is integrated to lift raw token embeddings into higher-level representations; (2) feature engineering, where task- and entity-specific features are iteratively refined; (3) prediction ensembling, where hidden states are aggregated into plausible next-token predictions; and (4) residual sharpening, where irrelevant features are suppressed to finalize the output distribution. Synthesizing behavioral and mechanistic evidence, we provide a framework for interpreting depth-dependent computations in LLMs.
comment: For Github code see https://github.com/vdlad/Remarkable-Robustness-of-LLMs. Send all correspondence to the first author
♻ ☆ EffiCoder: Enhancing Code Generation in Large Language Models through Efficiency-Aware Fine-tuning ICML 2025
As large language models (LLMs) play an increasingly important role in code generation, enhancing both correctness and efficiency has become crucial. Current methods primarily focus on correctness, often overlooking efficiency. To address this gap, we introduce EffiCoder to improve both aspects by fine-tuning LLMs on a high-quality dataset comprising correct and efficient code samples. Our methodology involves leveraging multiple LLMs to generate diverse candidate code solutions for various tasks across different programming languages. We then evaluate these solutions by measuring their execution time and memory usage through local execution. The code solution with the lowest execution time and memory consumption is selected as the final output for each task. Experimental results demonstrate significant improvements when fine-tuning with Effi-Instruct. For instance, Qwen2.5-Coder-7B-Instruct's pass@1 score increases from 44.8\% to 57.7\%, while the average execution time for correct tasks decreases by 48.4\%. EffiCoder offers a scalable and effective solution for advancing AI-driven code generation, benefiting software development and computational problem-solving. The source code of Effi-Code was released at https://github.com/huangd1999/EffiCoder.
comment: Accepted by ICML 2025
♻ ☆ Making LLMs Better Many-to-Many Speech-to-Text Translators with Curriculum Learning ACL 2025
Multimodal Large Language Models (MLLMs) have achieved significant success in Speech-to-Text Translation (S2TT) tasks. While most existing research has focused on English-centric translation directions, the exploration of many-to-many translation is still limited by the scarcity of parallel data. To address this, we propose a three-stage curriculum learning strategy that leverages the machine translation capabilities of large language models and adapts them to S2TT tasks, enabling effective learning in low-resource settings. We trained MLLMs with varying parameter sizes (3B, 7B, and 32B) and evaluated the proposed strategy using the FLEURS and CoVoST-2 datasets. Experimental results show that the proposed strategy achieves state-of-the-art average performance in $15\times14$ language pairs, requiring fewer than 10 hours of speech data per language to achieve competitive results. The source code and models are released at https://github.com/yxduir/LLM-SRT.
comment: Accepted in ACL 2025 (Main)
♻ ☆ G-Memory: Tracing Hierarchical Memory for Multi-Agent Systems
Large language model (LLM)-powered multi-agent systems (MAS) have demonstrated cognitive and execution capabilities that far exceed those of single LLM agents, yet their capacity for self-evolution remains hampered by underdeveloped memory architectures. Upon close inspection, we are alarmed to discover that prevailing MAS memory mechanisms (1) are overly simplistic, completely disregarding the nuanced inter-agent collaboration trajectories, and (2) lack cross-trial and agent-specific customization, in stark contrast to the expressive memory developed for single agents. To bridge this gap, we introduce G-Memory, a hierarchical, agentic memory system for MAS inspired by organizational memory theory, which manages the lengthy MAS interaction via a three-tier graph hierarchy: insight, query, and interaction graphs. Upon receiving a new user query, G-Memory performs bi-directional memory traversal to retrieve both $\textit{high-level, generalizable insights}$ that enable the system to leverage cross-trial knowledge, and $\textit{fine-grained, condensed interaction trajectories}$ that compactly encode prior collaboration experiences. Upon task execution, the entire hierarchy evolves by assimilating new collaborative trajectories, nurturing the progressive evolution of agent teams. Extensive experiments across five benchmarks, three LLM backbones, and three popular MAS frameworks demonstrate that G-Memory improves success rates in embodied action and accuracy in knowledge QA by up to $20.89\%$ and $10.12\%$, respectively, without any modifications to the original frameworks. Our codes are available at https://github.com/bingreeky/GMemory.
♻ ☆ Leveraging LLM and Self-Supervised Training Models for Speech Recognition in Chinese Dialects: A Comparative Analysis
Large-scale training corpora have significantly improved the performance of ASR models. Unfortunately, due to the relative scarcity of data, Chinese accents and dialects remain a challenge for most ASR models. Recent advancements in self-supervised learning have shown that self-supervised pre-training, combined with large language models (LLM), can effectively enhance ASR performance in low-resource scenarios. We aim to investigate the effectiveness of this paradigm for Chinese dialects. Specifically, we pre-train a Data2vec2 model on 300,000 hours of unlabeled dialect and accented speech data and do alignment training on a supervised dataset of 40,000 hours. Then, we systematically examine the impact of various projectors and LLMs on Mandarin, dialect, and accented speech recognition performance under this paradigm. Our method achieved SOTA results on multiple dialect datasets, including Kespeech. We will open-source our work to promote reproducible research
♻ ☆ Fast-and-Frugal Text-Graph Transformers are Effective Link Predictors ACL 2025
We propose Fast-and-Frugal Text-Graph (FnF-TG) Transformers, a Transformer-based framework that unifies textual and structural information for inductive link prediction in text-attributed knowledge graphs. We demonstrate that, by effectively encoding ego-graphs (1-hop neighbourhoods), we can reduce the reliance on resource-intensive textual encoders. This makes the model both fast at training and inference time, as well as frugal in terms of cost. We perform a comprehensive evaluation on three popular datasets and show that FnF-TG can achieve superior performance compared to previous state-of-the-art methods. We also extend inductive learning to a fully inductive setting, where relations don't rely on transductive (fixed) representations, as in previous work, but are a function of their textual description. Additionally, we introduce new variants of existing datasets, specifically designed to test the performance of models on unseen relations at inference time, thus offering a new test-bench for fully inductive link prediction.
comment: Accepted to ACL 2025 Findings
♻ ☆ Team Anotheroption at SemEval-2025 Task 8: Bridging the Gap Between Open-Source and Proprietary LLMs in Table QA ACL 2025
This paper presents a system developed for SemEval 2025 Task 8: Question Answering (QA) over tabular data. Our approach integrates several key components: text-to-SQL and text-to-code generation modules, a self-correction mechanism, and a retrieval-augmented generation (RAG). Additionally, it includes an end-to-end (E2E) module, all orchestrated by a large language model (LLM). Through ablation studies, we analyzed the effects of different parts of our pipeline and identified the challenges that are still present in this field. During the evaluation phase of the competition, our solution achieved an accuracy of 80%, resulting in a top-13 ranking among the 38 participating teams. Our pipeline demonstrates a significant improvement in accuracy for open-source models and achieves a performance comparable to proprietary LLMs in QA tasks over tables. The code is available at GitHub repository.
comment: Accepted for publication at the 19th International Workshop on Semantic Evaluation (SemEval-2025), to be held in conjunction with ACL 2025. 15 pages, 5 figures; full paper title was added
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data will be available later (under review). Keywords: reinforcement learning with verifiable rewards (RLVR), instruction following, complex instructions
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ VGR: Visual Grounded Reasoning
In the field of multimodal chain-of-thought (CoT) reasoning, existing approaches predominantly rely on reasoning on pure language space, which inherently suffers from language bias and is largely confined to math or science domains. This narrow focus limits their ability to handle complex visual reasoning tasks that demand comprehensive understanding of image details. To address these limitations, this paper introduces VGR, a novel reasoning multimodal large language model (MLLM) with enhanced fine-grained visual perception capabilities. Unlike traditional MLLMs that answer the question or reasoning solely on the language space, our VGR first detects relevant regions that may help to solve problems, and then provides precise answers based on replayed image regions. To achieve this, we conduct a large-scale SFT dataset called VGR -SFT that contains reasoning data with mixed vision grounding and language deduction. The inference pipeline of VGR allows the model to choose bounding boxes for visual reference and a replay stage is introduced to integrates the corresponding regions into the reasoning process, enhancing multimodel comprehension. Experiments on the LLaVA-NeXT-7B baseline show that VGR achieves superior performance on multi-modal benchmarks requiring comprehensive image detail understanding. Compared to the baseline, VGR uses only 30\% of the image token count while delivering scores of +4.1 on MMStar, +7.1 on AI2D, and a +12.9 improvement on ChartQA.
comment: 9 pages, 4 figures
♻ ☆ A Training-free LLM-based Approach to General Chinese Character Error Correction ACL 2025
Chinese spelling correction (CSC) is a crucial task that aims to correct character errors in Chinese text. While conventional CSC focuses on character substitution errors caused by mistyping, two other common types of character errors, missing and redundant characters, have received less attention. These errors are often excluded from CSC datasets during the annotation process or ignored during evaluation, even when they have been annotated. This issue limits the practicality of the CSC task. To address this issue, we introduce the task of General Chinese Character Error Correction (C2EC), which focuses on all three types of character errors. We construct a high-quality C2EC benchmark by combining and manually verifying data from CCTC and Lemon datasets. We extend the training-free prompt-free CSC method to C2EC by using Levenshtein distance for handling length changes and leveraging an additional prompt-based large language model (LLM) to improve performance. Experiments show that our method enables a 14B-parameter LLM to be on par with models nearly 50 times larger on both conventional CSC and C2EC tasks, without any fine-tuning.
comment: Accepted at Main Conference of ACL 2025, 26 pages, 12 figures
♻ ☆ Optimizing Temperature for Language Models with Multi-Sample Inference ICML2025
Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature's role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.
comment: ICML2025, 21 pages. Code available at https://github.com/StigLidu/TURN
♻ ☆ InfiniSST: Simultaneous Translation of Unbounded Speech with Large Language Model ACL 2025
Simultaneous translation of unbounded streaming speech remains a challenging problem due to the need for effectively processing the history speech context and past translations so that quality and latency, including computation overhead, can be balanced. Most prior works assume pre-segmented speech, limiting their real-world applicability. In this paper, we propose InfiniSST, a novel approach that formulates SST as a multi-turn dialogue task, enabling seamless translation of unbounded speech. We construct translation trajectories and robust segments from MuST-C with multi-latency augmentation during training and develop a key-value (KV) cache management strategy to facilitate efficient inference. Experiments on MuST-C En-Es, En-De, and En-Zh demonstrate that InfiniSST reduces computation-aware latency by 0.5 to 1 second while maintaining the same translation quality compared to baselines. Ablation studies further validate the contributions of our data construction and cache management strategy. We release the code and demo at https://github.com/LeiLiLab/InfiniSST
comment: ACL 2025 Findings
♻ ☆ ReflecTool: Towards Reflection-Aware Tool-Augmented Clinical Agents ACL 2025
Large Language Models (LLMs) have shown promising potential in the medical domain, assisting with tasks like clinical note generation and patient communication. However, current LLMs are limited to text-based communication, hindering their ability to interact with diverse forms of information in clinical environments. Despite clinical agents succeeding in diverse signal interaction, they are oriented to a single clinical scenario and hence fail for broader applications. To evaluate clinical agents holistically, we propose ClinicalAgent Bench~(CAB), a comprehensive medical agent benchmark consisting of 18 tasks across five key realistic clinical dimensions. Building on this, we introduce ReflecTool, a novel framework that excels at utilizing domain-specific tools within two stages. The first optimization stage progressively enlarges a long-term memory by saving successful solving processes and tool-wise experience of agents in a tiny pre-defined training set. In the following inference stage, ReflecTool can search for supportive successful demonstrations from already built long-term memory to guide the tool selection strategy, and a verifier improves the tool usage according to the tool-wise experience with two verification methods--iterative refinement and candidate selection. Extensive experiments on ClinicalAgent Benchmark demonstrate that ReflecTool surpasses the pure LLMs with more than 10 points and the well-established agent-based methods with 3 points, highlighting its adaptability and effectiveness in solving complex clinical tasks.
comment: ACL 2025 Main Paper
♻ ☆ Step-by-step Instructions and a Simple Tabular Output Format Improve the Dependency Parsing Accuracy of LLMs
Recent advances in large language models (LLMs) have enabled impressive performance in various tasks. However, standard prompting often struggles to produce structurally valid and accurate outputs, especially in dependency parsing. We propose a novel step-by-step instruction strategy, where universal part-of-speech tagging precedes the prediction of syntactic heads and dependency labels, and a simplified CoNLL-U like output format, our method achieves state-of-the-art accuracy on Universal Dependencies datasets across 17 languages without hallucination or contamination. We further show that multilingual fine-tuning simultaneously improves cross-language generalization performance. Our results highlight the effectiveness of explicit reasoning steps in LLM-based parsing and offer a scalable, format-consistent alternative to bracket-based approaches.
comment: 9 pages, 2 figures, accepted to SyntaxFest 2025
♻ ☆ MathFusion: Enhancing Mathematical Problem-solving of LLM through Instruction Fusion ACL 2025
Large Language Models (LLMs) have shown impressive progress in mathematical reasoning. While data augmentation is promising to enhance mathematical problem-solving ability, current approaches are predominantly limited to instance-level modifications-such as rephrasing or generating syntactic variations-which fail to capture and leverage the intrinsic relational structures inherent in mathematical knowledge. Inspired by human learning processes, where mathematical proficiency develops through systematic exposure to interconnected concepts, we introduce MathFusion, a novel framework that enhances mathematical reasoning through cross-problem instruction synthesis. MathFusion implements this through three fusion strategies: (1) sequential fusion, which chains related problems to model solution dependencies; (2) parallel fusion, which combines analogous problems to reinforce conceptual understanding; and (3) conditional fusion, which creates context-aware selective problems to enhance reasoning flexibility. By applying these strategies, we generate a new dataset, \textbf{MathFusionQA}, followed by fine-tuning models (DeepSeekMath-7B, Mistral-7B, Llama3-8B) on it. Experimental results demonstrate that MathFusion achieves substantial improvements in mathematical reasoning while maintaining high data efficiency, boosting performance by 18.0 points in accuracy across diverse benchmarks while requiring only 45K additional synthetic instructions, representing a substantial improvement over traditional single-instruction approaches. Our datasets, models, and code are publicly available at https://github.com/QizhiPei/mathfusion.
comment: Accepted by ACL 2025 (main)
♻ ☆ A Hybrid GA LLM Framework for Structured Task Optimization
GA LLM is a hybrid framework that combines Genetic Algorithms with Large Language Models to handle structured generation tasks under strict constraints. Each output, such as a plan or report, is treated as a gene, and evolutionary operations like selection, crossover, and mutation are guided by the language model to iteratively improve solutions. The language model provides domain knowledge and creative variation, while the genetic algorithm ensures structural integrity and global optimization. GA LLM has proven effective in tasks such as itinerary planning, academic outlining, and business reporting, consistently producing well structured and requirement satisfying results. Its modular design also makes it easy to adapt to new tasks. Compared to using a language model alone, GA LLM achieves better constraint satisfaction and higher quality solutions by combining the strengths of both components.
comment: 7 pages
Computer Vision and Pattern Recognition 100
☆ PF-LHM: 3D Animatable Avatar Reconstruction from Pose-free Articulated Human Images
Reconstructing an animatable 3D human from casually captured images of an articulated subject without camera or human pose information is a practical yet challenging task due to view misalignment, occlusions, and the absence of structural priors. While optimization-based methods can produce high-fidelity results from monocular or multi-view videos, they require accurate pose estimation and slow iterative optimization, limiting scalability in unconstrained scenarios. Recent feed-forward approaches enable efficient single-image reconstruction but struggle to effectively leverage multiple input images to reduce ambiguity and improve reconstruction accuracy. To address these challenges, we propose PF-LHM, a large human reconstruction model that generates high-quality 3D avatars in seconds from one or multiple casually captured pose-free images. Our approach introduces an efficient Encoder-Decoder Point-Image Transformer architecture, which fuses hierarchical geometric point features and multi-view image features through multimodal attention. The fused features are decoded to recover detailed geometry and appearance, represented using 3D Gaussian splats. Extensive experiments on both real and synthetic datasets demonstrate that our method unifies single- and multi-image 3D human reconstruction, achieving high-fidelity and animatable 3D human avatars without requiring camera and human pose annotations. Code and models will be released to the public.
☆ Diagnosing and Improving Diffusion Models by Estimating the Optimal Loss Value
Diffusion models have achieved remarkable success in generative modeling. Despite more stable training, the loss of diffusion models is not indicative of absolute data-fitting quality, since its optimal value is typically not zero but unknown, leading to confusion between large optimal loss and insufficient model capacity. In this work, we advocate the need to estimate the optimal loss value for diagnosing and improving diffusion models. We first derive the optimal loss in closed form under a unified formulation of diffusion models, and develop effective estimators for it, including a stochastic variant scalable to large datasets with proper control of variance and bias. With this tool, we unlock the inherent metric for diagnosing the training quality of mainstream diffusion model variants, and develop a more performant training schedule based on the optimal loss. Moreover, using models with 120M to 1.5B parameters, we find that the power law is better demonstrated after subtracting the optimal loss from the actual training loss, suggesting a more principled setting for investigating the scaling law for diffusion models.
comment: 29 pages, 8 figures, 3 tables. Preprint. Work in Progress
☆ Touch begins where vision ends: Generalizable policies for contact-rich manipulation
Data-driven approaches struggle with precise manipulation; imitation learning requires many hard-to-obtain demonstrations, while reinforcement learning yields brittle, non-generalizable policies. We introduce VisuoTactile Local (ViTaL) policy learning, a framework that solves fine-grained manipulation tasks by decomposing them into two phases: a reaching phase, where a vision-language model (VLM) enables scene-level reasoning to localize the object of interest, and a local interaction phase, where a reusable, scene-agnostic ViTaL policy performs contact-rich manipulation using egocentric vision and tactile sensing. This approach is motivated by the observation that while scene context varies, the low-level interaction remains consistent across task instances. By training local policies once in a canonical setting, they can generalize via a localize-then-execute strategy. ViTaL achieves around 90% success on contact-rich tasks in unseen environments and is robust to distractors. ViTaL's effectiveness stems from three key insights: (1) foundation models for segmentation enable training robust visual encoders via behavior cloning; (2) these encoders improve the generalizability of policies learned using residual RL; and (3) tactile sensing significantly boosts performance in contact-rich tasks. Ablation studies validate each of these insights, and we demonstrate that ViTaL integrates well with high-level VLMs, enabling robust, reusable low-level skills. Results and videos are available at https://vitalprecise.github.io.
☆ AutoVLA: A Vision-Language-Action Model for End-to-End Autonomous Driving with Adaptive Reasoning and Reinforcement Fine-Tuning
Recent advancements in Vision-Language-Action (VLA) models have shown promise for end-to-end autonomous driving by leveraging world knowledge and reasoning capabilities. However, current VLA models often struggle with physically infeasible action outputs, complex model structures, or unnecessarily long reasoning. In this paper, we propose AutoVLA, a novel VLA model that unifies reasoning and action generation within a single autoregressive generation model for end-to-end autonomous driving. AutoVLA performs semantic reasoning and trajectory planning directly from raw visual inputs and language instructions. We tokenize continuous trajectories into discrete, feasible actions, enabling direct integration into the language model. For training, we employ supervised fine-tuning to equip the model with dual thinking modes: fast thinking (trajectory-only) and slow thinking (enhanced with chain-of-thought reasoning). To further enhance planning performance and efficiency, we introduce a reinforcement fine-tuning method based on Group Relative Policy Optimization (GRPO), reducing unnecessary reasoning in straightforward scenarios. Extensive experiments across real-world and simulated datasets and benchmarks, including nuPlan, nuScenes, Waymo, and CARLA, demonstrate the competitive performance of AutoVLA in both open-loop and closed-loop settings. Qualitative results showcase the adaptive reasoning and accurate planning capabilities of AutoVLA in diverse scenarios.
comment: Website link:https://autovla.github.io/
☆ UltraZoom: Generating Gigapixel Images from Regular Photos
We present UltraZoom, a system for generating gigapixel-resolution images of objects from casually captured inputs, such as handheld phone photos. Given a full-shot image (global, low-detail) and one or more close-ups (local, high-detail), UltraZoom upscales the full image to match the fine detail and scale of the close-up examples. To achieve this, we construct a per-instance paired dataset from the close-ups and adapt a pretrained generative model to learn object-specific low-to-high resolution mappings. At inference, we apply the model in a sliding window fashion over the full image. Constructing these pairs is non-trivial: it requires registering the close-ups within the full image for scale estimation and degradation alignment. We introduce a simple, robust method for getting registration on arbitrary materials in casual, in-the-wild captures. Together, these components form a system that enables seamless pan and zoom across the entire object, producing consistent, photorealistic gigapixel imagery from minimal input.
comment: Project page: https://ultra-zoom.github.io/
☆ VideoPDE: Unified Generative PDE Solving via Video Inpainting Diffusion Models NeurIPS 2025
We present a unified framework for solving partial differential equations (PDEs) using video-inpainting diffusion transformer models. Unlike existing methods that devise specialized strategies for either forward or inverse problems under full or partial observation, our approach unifies these tasks under a single, flexible generative framework. Specifically, we recast PDE-solving as a generalized inpainting problem, e.g., treating forward prediction as inferring missing spatiotemporal information of future states from initial conditions. To this end, we design a transformer-based architecture that conditions on arbitrary patterns of known data to infer missing values across time and space. Our method proposes pixel-space video diffusion models for fine-grained, high-fidelity inpainting and conditioning, while enhancing computational efficiency through hierarchical modeling. Extensive experiments show that our video inpainting-based diffusion model offers an accurate and versatile solution across a wide range of PDEs and problem setups, outperforming state-of-the-art baselines.
comment: Submitted to NeurIPS 2025. Project page: https://videopde.github.io/
☆ Test3R: Learning to Reconstruct 3D at Test Time
Dense matching methods like DUSt3R regress pairwise pointmaps for 3D reconstruction. However, the reliance on pairwise prediction and the limited generalization capability inherently restrict the global geometric consistency. In this work, we introduce Test3R, a surprisingly simple test-time learning technique that significantly boosts geometric accuracy. Using image triplets ($I_1,I_2,I_3$), Test3R generates reconstructions from pairs ($I_1,I_2$) and ($I_1,I_3$). The core idea is to optimize the network at test time via a self-supervised objective: maximizing the geometric consistency between these two reconstructions relative to the common image $I_1$. This ensures the model produces cross-pair consistent outputs, regardless of the inputs. Extensive experiments demonstrate that our technique significantly outperforms previous state-of-the-art methods on the 3D reconstruction and multi-view depth estimation tasks. Moreover, it is universally applicable and nearly cost-free, making it easily applied to other models and implemented with minimal test-time training overhead and parameter footprint. Code is available at https://github.com/nopQAQ/Test3R.
☆ OTFusion: Bridging Vision-only and Vision-Language Models via Optimal Transport for Transductive Zero-Shot Learning
Transductive zero-shot learning (ZSL) aims to classify unseen categories by leveraging both semantic class descriptions and the distribution of unlabeled test data. While Vision-Language Models (VLMs) such as CLIP excel at aligning visual inputs with textual semantics, they often rely too heavily on class-level priors and fail to capture fine-grained visual cues. In contrast, Vision-only Foundation Models (VFMs) like DINOv2 provide rich perceptual features but lack semantic alignment. To exploit the complementary strengths of these models, we propose OTFusion, a simple yet effective training-free framework that bridges VLMs and VFMs via Optimal Transport. Specifically, OTFusion aims to learn a shared probabilistic representation that aligns visual and semantic information by minimizing the transport cost between their respective distributions. This unified distribution enables coherent class predictions that are both semantically meaningful and visually grounded. Extensive experiments on 11 benchmark datasets demonstrate that OTFusion consistently outperforms the original CLIP model, achieving an average accuracy improvement of nearly $10\%$, all without any fine-tuning or additional annotations. The code will be publicly released after the paper is accepted.
☆ How Real is CARLAs Dynamic Vision Sensor? A Study on the Sim-to-Real Gap in Traffic Object Detection
Event cameras are gaining traction in traffic monitoring applications due to their low latency, high temporal resolution, and energy efficiency, which makes them well-suited for real-time object detection at traffic intersections. However, the development of robust event-based detection models is hindered by the limited availability of annotated real-world datasets. To address this, several simulation tools have been developed to generate synthetic event data. Among these, the CARLA driving simulator includes a built-in dynamic vision sensor (DVS) module that emulates event camera output. Despite its potential, the sim-to-real gap for event-based object detection remains insufficiently studied. In this work, we present a systematic evaluation of this gap by training a recurrent vision transformer model exclusively on synthetic data generated using CARLAs DVS and testing it on varying combinations of synthetic and real-world event streams. Our experiments show that models trained solely on synthetic data perform well on synthetic-heavy test sets but suffer significant performance degradation as the proportion of real-world data increases. In contrast, models trained on real-world data demonstrate stronger generalization across domains. This study offers the first quantifiable analysis of the sim-to-real gap in event-based object detection using CARLAs DVS. Our findings highlight limitations in current DVS simulation fidelity and underscore the need for improved domain adaptation techniques in neuromorphic vision for traffic monitoring.
☆ Vid-CamEdit: Video Camera Trajectory Editing with Generative Rendering from Estimated Geometry
We introduce Vid-CamEdit, a novel framework for video camera trajectory editing, enabling the re-synthesis of monocular videos along user-defined camera paths. This task is challenging due to its ill-posed nature and the limited multi-view video data for training. Traditional reconstruction methods struggle with extreme trajectory changes, and existing generative models for dynamic novel view synthesis cannot handle in-the-wild videos. Our approach consists of two steps: estimating temporally consistent geometry, and generative rendering guided by this geometry. By integrating geometric priors, the generative model focuses on synthesizing realistic details where the estimated geometry is uncertain. We eliminate the need for extensive 4D training data through a factorized fine-tuning framework that separately trains spatial and temporal components using multi-view image and video data. Our method outperforms baselines in producing plausible videos from novel camera trajectories, especially in extreme extrapolation scenarios on real-world footage.
comment: Our project page can be found at https://cvlab-kaist.github.io/Vid-CamEdit/
☆ UltraVideo: High-Quality UHD Video Dataset with Comprehensive Captions
The quality of the video dataset (image quality, resolution, and fine-grained caption) greatly influences the performance of the video generation model. The growing demand for video applications sets higher requirements for high-quality video generation models. For example, the generation of movie-level Ultra-High Definition (UHD) videos and the creation of 4K short video content. However, the existing public datasets cannot support related research and applications. In this paper, we first propose a high-quality open-sourced UHD-4K (22.4\% of which are 8K) text-to-video dataset named UltraVideo, which contains a wide range of topics (more than 100 kinds), and each video has 9 structured captions with one summarized caption (average of 824 words). Specifically, we carefully design a highly automated curation process with four stages to obtain the final high-quality dataset: \textit{i)} collection of diverse and high-quality video clips. \textit{ii)} statistical data filtering. \textit{iii)} model-based data purification. \textit{iv)} generation of comprehensive, structured captions. In addition, we expand Wan to UltraWan-1K/-4K, which can natively generate high-quality 1K/4K videos with more consistent text controllability, demonstrating the effectiveness of our data curation.We believe that this work can make a significant contribution to future research on UHD video generation. UltraVideo dataset and UltraWan models are available at https://xzc-zju.github.io/projects/UltraVideo.
☆ ROSA: Harnessing Robot States for Vision-Language and Action Alignment
Vision-Language-Action (VLA) models have recently made significant advance in multi-task, end-to-end robotic control, due to the strong generalization capabilities of Vision-Language Models (VLMs). A fundamental challenge in developing such models is effectively aligning the vision-language space with the robotic action space. Existing approaches typically rely on directly fine-tuning VLMs using expert demonstrations. However, this strategy suffers from a spatio-temporal gap, resulting in considerable data inefficiency and heavy reliance on human labor. Spatially, VLMs operate within a high-level semantic space, whereas robotic actions are grounded in low-level 3D physical space; temporally, VLMs primarily interpret the present, while VLA models anticipate future actions. To overcome these challenges, we propose a novel training paradigm, ROSA, which leverages robot state estimation to improve alignment between vision-language and action spaces. By integrating robot state estimation data obtained via an automated process, ROSA enables the VLA model to gain enhanced spatial understanding and self-awareness, thereby boosting performance and generalization. Extensive experiments in both simulated and real-world environments demonstrate the effectiveness of ROSA, particularly in low-data regimes.
☆ MultiViT2: A Data-augmented Multimodal Neuroimaging Prediction Framework via Latent Diffusion Model
Multimodal medical imaging integrates diverse data types, such as structural and functional neuroimaging, to provide complementary insights that enhance deep learning predictions and improve outcomes. This study focuses on a neuroimaging prediction framework based on both structural and functional neuroimaging data. We propose a next-generation prediction model, \textbf{MultiViT2}, which combines a pretrained representative learning base model with a vision transformer backbone for prediction output. Additionally, we developed a data augmentation module based on the latent diffusion model that enriches input data by generating augmented neuroimaging samples, thereby enhancing predictive performance through reduced overfitting and improved generalizability. We show that MultiViT2 significantly outperforms the first-generation model in schizophrenia classification accuracy and demonstrates strong scalability and portability.
☆ Lecture Video Visual Objects (LVVO) Dataset: A Benchmark for Visual Object Detection in Educational Videos
We introduce the Lecture Video Visual Objects (LVVO) dataset, a new benchmark for visual object detection in educational video content. The dataset consists of 4,000 frames extracted from 245 lecture videos spanning biology, computer science, and geosciences. A subset of 1,000 frames, referred to as LVVO_1k, has been manually annotated with bounding boxes for four visual categories: Table, Chart-Graph, Photographic-image, and Visual-illustration. Each frame was labeled independently by two annotators, resulting in an inter-annotator F1 score of 83.41%, indicating strong agreement. To ensure high-quality consensus annotations, a third expert reviewed and resolved all cases of disagreement through a conflict resolution process. To expand the dataset, a semi-supervised approach was employed to automatically annotate the remaining 3,000 frames, forming LVVO_3k. The complete dataset offers a valuable resource for developing and evaluating both supervised and semi-supervised methods for visual content detection in educational videos. The LVVO dataset is publicly available to support further research in this domain.
☆ Ego-R1: Chain-of-Tool-Thought for Ultra-Long Egocentric Video Reasoning
We introduce Ego-R1, a novel framework for reasoning over ultra-long (i.e., in days and weeks) egocentric videos, which leverages a structured Chain-of-Tool-Thought (CoTT) process, orchestrated by an Ego-R1 Agent trained via reinforcement learning (RL). Inspired by human problem-solving strategies, CoTT decomposes complex reasoning into modular steps, with the RL agent invoking specific tools, one per step, to iteratively and collaboratively answer sub-questions tackling such tasks as temporal retrieval and multi-modal understanding. We design a two-stage training paradigm involving supervised finetuning (SFT) of a pretrained language model using CoTT data and RL to enable our agent to dynamically propose step-by-step tools for long-range reasoning. To facilitate training, we construct a dataset called Ego-R1 Data, which consists of Ego-CoTT-25K for SFT and Ego-QA-4.4K for RL. Furthermore, our Ego-R1 agent is evaluated on a newly curated week-long video QA benchmark, Ego-R1 Bench, which contains human-verified QA pairs from hybrid sources. Extensive results demonstrate that the dynamic, tool-augmented chain-of-thought reasoning by our Ego-R1 Agent can effectively tackle the unique challenges of understanding ultra-long egocentric videos, significantly extending the time coverage from few hours to a week.
comment: Project page: https://egolife-ai.github.io/Ego-R1/
☆ Stream-Omni: Simultaneous Multimodal Interactions with Large Language-Vision-Speech Model
The emergence of GPT-4o-like large multimodal models (LMMs) has raised the exploration of integrating text, vision, and speech modalities to support more flexible multimodal interaction. Existing LMMs typically concatenate representation of modalities along the sequence dimension and feed them into a large language model (LLM) backbone. While sequence-dimension concatenation is straightforward for modality integration, it often relies heavily on large-scale data to learn modality alignments. In this paper, we aim to model the relationships between modalities more purposefully, thereby achieving more efficient and flexible modality alignments. To this end, we propose Stream-Omni, a large language-vision-speech model with efficient modality alignments, which can simultaneously support interactions under various modality combinations. Stream-Omni employs LLM as the backbone and aligns the vision and speech to the text based on their relationships. For vision that is semantically complementary to text, Stream-Omni uses sequence-dimension concatenation to achieve vision-text alignment. For speech that is semantically consistent with text, Stream-Omni introduces a CTC-based layer-dimension mapping to achieve speech-text alignment. In this way, Stream-Omni can achieve modality alignments with less data (especially speech), enabling the transfer of text capabilities to other modalities. Experiments on various benchmarks demonstrate that Stream-Omni achieves strong performance on visual understanding, speech interaction, and vision-grounded speech interaction tasks. Owing to the layer-dimensional mapping, Stream-Omni can simultaneously provide intermediate text outputs (such as ASR transcriptions and model responses) during speech interaction, offering users a comprehensive multimodal experience.
comment: Code: https://github.com/ictnlp/Stream-Omni , Model: https://huggingface.co/ICTNLP/stream-omni-8b
☆ DualEdit: Dual Editing for Knowledge Updating in Vision-Language Models
Model editing aims to efficiently update a pre-trained model's knowledge without the need for time-consuming full retraining. While existing pioneering editing methods achieve promising results, they primarily focus on editing single-modal language models (LLMs). However, for vision-language models (VLMs), which involve multiple modalities, the role and impact of each modality on editing performance remain largely unexplored. To address this gap, we explore the impact of textual and visual modalities on model editing and find that: (1) textual and visual representations reach peak sensitivity at different layers, reflecting their varying importance; and (2) editing both modalities can efficiently update knowledge, but this comes at the cost of compromising the model's original capabilities. Based on our findings, we propose DualEdit, an editor that modifies both textual and visual modalities at their respective key layers. Additionally, we introduce a gating module within the more sensitive textual modality, allowing DualEdit to efficiently update new knowledge while preserving the model's original information. We evaluate DualEdit across multiple VLM backbones and benchmark datasets, demonstrating its superiority over state-of-the-art VLM editing baselines as well as adapted LLM editing methods on different evaluation metrics.
comment: Under Review
☆ FreeQ-Graph: Free-form Querying with Semantic Consistent Scene Graph for 3D Scene Understanding
Semantic querying in complex 3D scenes through free-form language presents a significant challenge. Existing 3D scene understanding methods use large-scale training data and CLIP to align text queries with 3D semantic features. However, their reliance on predefined vocabulary priors from training data hinders free-form semantic querying. Besides, recent advanced methods rely on LLMs for scene understanding but lack comprehensive 3D scene-level information and often overlook the potential inconsistencies in LLM-generated outputs. In our paper, we propose FreeQ-Graph, which enables Free-form Querying with a semantic consistent scene Graph for 3D scene understanding. The core idea is to encode free-form queries from a complete and accurate 3D scene graph without predefined vocabularies, and to align them with 3D consistent semantic labels, which accomplished through three key steps. We initiate by constructing a complete and accurate 3D scene graph that maps free-form objects and their relations through LLM and LVLM guidance, entirely free from training data or predefined priors. Most importantly, we align graph nodes with accurate semantic labels by leveraging 3D semantic aligned features from merged superpoints, enhancing 3D semantic consistency. To enable free-form semantic querying, we then design an LLM-based reasoning algorithm that combines scene-level and object-level information to intricate reasoning. We conducted extensive experiments on 3D semantic grounding, segmentation, and complex querying tasks, while also validating the accuracy of graph generation. Experiments on 6 datasets show that our model excels in both complex free-form semantic queries and intricate relational reasoning.
☆ Exploiting the Exact Denoising Posterior Score in Training-Free Guidance of Diffusion Models
The success of diffusion models has driven interest in performing conditional sampling via training-free guidance of the denoising process to solve image restoration and other inverse problems. A popular class of methods, based on Diffusion Posterior Sampling (DPS), attempts to approximate the intractable posterior score function directly. In this work, we present a novel expression for the exact posterior score for purely denoising tasks that is tractable in terms of the unconditional score function. We leverage this result to analyze the time-dependent error in the DPS score for denoising tasks and compute step sizes on the fly to minimize the error at each time step. We demonstrate that these step sizes are transferable to related inverse problems such as colorization, random inpainting, and super resolution. Despite its simplicity, this approach is competitive with state-of-the-art techniques and enables sampling with fewer time steps than DPS.
☆ Dive3D: Diverse Distillation-based Text-to-3D Generation via Score Implicit Matching
Distilling pre-trained 2D diffusion models into 3D assets has driven remarkable advances in text-to-3D synthesis. However, existing methods typically rely on Score Distillation Sampling (SDS) loss, which involves asymmetric KL divergence--a formulation that inherently favors mode-seeking behavior and limits generation diversity. In this paper, we introduce Dive3D, a novel text-to-3D generation framework that replaces KL-based objectives with Score Implicit Matching (SIM) loss, a score-based objective that effectively mitigates mode collapse. Furthermore, Dive3D integrates both diffusion distillation and reward-guided optimization under a unified divergence perspective. Such reformulation, together with SIM loss, yields significantly more diverse 3D outputs while improving text alignment, human preference, and overall visual fidelity. We validate Dive3D across various 2D-to-3D prompts and find that it consistently outperforms prior methods in qualitative assessments, including diversity, photorealism, and aesthetic appeal. We further evaluate its performance on the GPTEval3D benchmark, comparing against nine state-of-the-art baselines. Dive3D also achieves strong results on quantitative metrics, including text-asset alignment, 3D plausibility, text-geometry consistency, texture quality, and geometric detail.
☆ Omni-AdaVideoRAG: Omni-Contextual Adaptive Retrieval-Augmented for Efficient Long Video Understanding
Multimodal Large Language Models (MLLMs) struggle with long videos due to fixed context windows and weak long-term dependency modeling. Existing Retrieval-Augmented Generation (RAG) methods for videos use static retrieval strategies, leading to inefficiencies for simple queries and information loss for complex tasks. To address this, we propose AdaVideoRAG, a novel framework that dynamically adapts retrieval granularity based on query complexity using a lightweight intent classifier. Our framework employs an Omni-Knowledge Indexing module to build hierarchical databases from text (captions, ASR, OCR), visual features, and semantic graphs, enabling optimal resource allocation across tasks. We also introduce the HiVU benchmark for comprehensive evaluation. Experiments demonstrate improved efficiency and accuracy for long-video understanding, with seamless integration into existing MLLMs. AdaVideoRAG establishes a new paradigm for adaptive retrieval in video analysis. Codes will be open-sourced at https://github.com/xzc-zju/AdaVideoRAG.
☆ Flexible-length Text Infilling for Discrete Diffusion Models
Discrete diffusion models are a new class of text generators that offer advantages such as bidirectional context use, parallelizable generation, and flexible prompting compared to autoregressive models. However, a critical limitation of discrete diffusion models is their inability to perform flexible-length or flexible-position text infilling without access to ground-truth positional data. We introduce \textbf{DDOT} (\textbf{D}iscrete \textbf{D}iffusion with \textbf{O}ptimal \textbf{T}ransport Position Coupling), the first discrete diffusion model to overcome this challenge. DDOT jointly denoises token values and token positions, employing a novel sample-level Optimal Transport (OT) coupling. This coupling preserves relative token ordering while dynamically adjusting the positions and length of infilled segments, a capability previously missing in text diffusion. Our method is orthogonal to existing discrete text diffusion methods and is compatible with various pretrained text denoisers. Extensive experiments on text infilling benchmarks such as One-Billion-Word and Yelp demonstrate that DDOT outperforms naive diffusion baselines. Furthermore, DDOT achieves performance on par with state-of-the-art non-autoregressive models and enables significant improvements in training efficiency and flexibility.
☆ Integrated Pipeline for Monocular 3D Reconstruction and Finite Element Simulation in Industrial Applications
To address the challenges of 3D modeling and structural simulation in industrial environment, such as the difficulty of equipment deployment, and the difficulty of balancing accuracy and real-time performance, this paper proposes an integrated workflow, which integrates high-fidelity 3D reconstruction based on monocular video, finite element simulation analysis, and mixed reality visual display, aiming to build an interactive digital twin system for industrial inspection, equipment maintenance and other scenes. Firstly, the Neuralangelo algorithm based on deep learning is used to reconstruct the 3D mesh model with rich details from the surround-shot video. Then, the QuadRemesh tool of Rhino is used to optimize the initial triangular mesh and generate a structured mesh suitable for finite element analysis. The optimized mesh is further discretized by HyperMesh, and the material parameter setting and stress simulation are carried out in Abaqus to obtain high-precision stress and deformation results. Finally, combined with Unity and Vuforia engine, the real-time superposition and interactive operation of simulation results in the augmented reality environment are realized, which improves users 'intuitive understanding of structural response. Experiments show that the method has good simulation efficiency and visualization effect while maintaining high geometric accuracy. It provides a practical solution for digital modeling, mechanical analysis and interactive display in complex industrial scenes, and lays a foundation for the deep integration of digital twin and mixed reality technology in industrial applications.
☆ MambaMia: A State-Space-Model-Based Compression for Efficient Video Understanding in Large Multimodal Models
We propose an efficient framework to compress multiple video-frame features before feeding them into large multimodal models, thereby mitigating the severe token explosion arising from long or dense videos. Our design leverages a bidirectional state-space-based block equipped with a gated skip connection and a learnable weighted-average pooling mechanism applied to periodically inserted learned queries. This structure enables hierarchical downsampling across both spatial and temporal dimensions, preserving performance in a cost-effective manner. Across challenging long and dense video understanding tasks, our approach demonstrates competitive results against state-of-the-art models, while significantly reducing overall token budget. Notably, replacing our proposed state-space block with a conventional Transformer results in substantial performance degradation, highlighting the advantages of state-space modeling for effectively compressing multi-frame video data. Our framework emphasizes resource-conscious efficiency, making it practical for real-world deployments. We validate its scalability and generality across multiple benchmarks, achieving the dual objectives of efficient resource usage and comprehensive video understanding.
comment: 17 pages, 5 figures
☆ X-Scene: Large-Scale Driving Scene Generation with High Fidelity and Flexible Controllability
Diffusion models are advancing autonomous driving by enabling realistic data synthesis, predictive end-to-end planning, and closed-loop simulation, with a primary focus on temporally consistent generation. However, the generation of large-scale 3D scenes that require spatial coherence remains underexplored. In this paper, we propose X-Scene, a novel framework for large-scale driving scene generation that achieves both geometric intricacy and appearance fidelity, while offering flexible controllability. Specifically, X-Scene supports multi-granular control, including low-level conditions such as user-provided or text-driven layout for detailed scene composition and high-level semantic guidance such as user-intent and LLM-enriched text prompts for efficient customization. To enhance geometrical and visual fidelity, we introduce a unified pipeline that sequentially generates 3D semantic occupancy and the corresponding multiview images, while ensuring alignment between modalities. Additionally, we extend the generated local region into a large-scale scene through consistency-aware scene outpainting, which extrapolates new occupancy and images conditioned on the previously generated area, enhancing spatial continuity and preserving visual coherence. The resulting scenes are lifted into high-quality 3DGS representations, supporting diverse applications such as scene exploration. Comprehensive experiments demonstrate that X-Scene significantly advances controllability and fidelity for large-scale driving scene generation, empowering data generation and simulation for autonomous driving.
comment: 28 pages, 9 figures, Project page at https://x-scene.github.io/
☆ RelTopo: Enhancing Relational Modeling for Driving Scene Topology Reasoning
Accurate road topology reasoning is critical for autonomous driving, enabling effective navigation and adherence to traffic regulations. Central to this task are lane perception and topology reasoning. However, existing methods typically focus on either lane detection or Lane-to-Lane (L2L) topology reasoning, often \textit{neglecting} Lane-to-Traffic-element (L2T) relationships or \textit{failing} to optimize these tasks jointly. Furthermore, most approaches either overlook relational modeling or apply it in a limited scope, despite the inherent spatial relationships among road elements. We argue that relational modeling is beneficial for both perception and reasoning, as humans naturally leverage contextual relationships for road element recognition and their connectivity inference. To this end, we introduce relational modeling into both perception and reasoning, \textit{jointly} enhancing structural understanding. Specifically, we propose: 1) a relation-aware lane detector, where our geometry-biased self-attention and \curve\ cross-attention refine lane representations by capturing relational dependencies; 2) relation-enhanced topology heads, including a geometry-enhanced L2L head and a cross-view L2T head, boosting reasoning with relational cues; and 3) a contrastive learning strategy with InfoNCE loss to regularize relationship embeddings. Extensive experiments on OpenLane-V2 demonstrate that our approach significantly improves both detection and topology reasoning metrics, achieving +3.1 in DET$_l$, +5.3 in TOP$_{ll}$, +4.9 in TOP$_{lt}$, and an overall +4.4 in OLS, setting a new state-of-the-art. Code will be released.
comment: Preprint. Under review
☆ A Comprehensive Survey on Video Scene Parsing:Advances, Challenges, and Prospects
Video Scene Parsing (VSP) has emerged as a cornerstone in computer vision, facilitating the simultaneous segmentation, recognition, and tracking of diverse visual entities in dynamic scenes. In this survey, we present a holistic review of recent advances in VSP, covering a wide array of vision tasks, including Video Semantic Segmentation (VSS), Video Instance Segmentation (VIS), Video Panoptic Segmentation (VPS), as well as Video Tracking and Segmentation (VTS), and Open-Vocabulary Video Segmentation (OVVS). We systematically analyze the evolution from traditional hand-crafted features to modern deep learning paradigms -- spanning from fully convolutional networks to the latest transformer-based architectures -- and assess their effectiveness in capturing both local and global temporal contexts. Furthermore, our review critically discusses the technical challenges, ranging from maintaining temporal consistency to handling complex scene dynamics, and offers a comprehensive comparative study of datasets and evaluation metrics that have shaped current benchmarking standards. By distilling the key contributions and shortcomings of state-of-the-art methodologies, this survey highlights emerging trends and prospective research directions that promise to further elevate the robustness and adaptability of VSP in real-world applications.
☆ Limited-Angle CBCT Reconstruction via Geometry-Integrated Cycle-domain Denoising Diffusion Probabilistic Models
Cone-beam CT (CBCT) is widely used in clinical radiotherapy for image-guided treatment, improving setup accuracy, adaptive planning, and motion management. However, slow gantry rotation limits performance by introducing motion artifacts, blurring, and increased dose. This work aims to develop a clinically feasible method for reconstructing high-quality CBCT volumes from consecutive limited-angle acquisitions, addressing imaging challenges in time- or dose-constrained settings. We propose a limited-angle (LA) geometry-integrated cycle-domain (LA-GICD) framework for CBCT reconstruction, comprising two denoising diffusion probabilistic models (DDPMs) connected via analytic cone-beam forward and back projectors. A Projection-DDPM completes missing projections, followed by back-projection, and an Image-DDPM refines the volume. This dual-domain design leverages complementary priors from projection and image spaces to achieve high-quality reconstructions from limited-angle (<= 90 degrees) scans. Performance was evaluated against full-angle reconstruction. Four board-certified medical physicists conducted assessments. A total of 78 planning CTs in common CBCT geometries were used for training and evaluation. The method achieved a mean absolute error of 35.5 HU, SSIM of 0.84, and PSNR of 29.8 dB, with visibly reduced artifacts and improved soft-tissue clarity. LA-GICD's geometry-aware dual-domain learning, embedded in analytic forward/backward operators, enabled artifact-free, high-contrast reconstructions from a single 90-degree scan, reducing acquisition time and dose four-fold. LA-GICD improves limited-angle CBCT reconstruction with strong data fidelity and anatomical realism. It offers a practical solution for short-arc acquisitions, enhancing CBCT use in radiotherapy by providing clinically applicable images with reduced scan time and dose for more accurate, personalized treatments.
☆ Atomizer: Generalizing to new modalities by breaking satellite images down to a set of scalars
The growing number of Earth observation satellites has led to increasingly diverse remote sensing data, with varying spatial, spectral, and temporal configurations. Most existing models rely on fixed input formats and modality-specific encoders, which require retraining when new configurations are introduced, limiting their ability to generalize across modalities. We introduce Atomizer, a flexible architecture that represents remote sensing images as sets of scalars, each corresponding to a spectral band value of a pixel. Each scalar is enriched with contextual metadata (acquisition time, spatial resolution, wavelength, and bandwidth), producing an atomic representation that allows a single encoder to process arbitrary modalities without interpolation or resampling. Atomizer uses structured tokenization with Fourier features and non-uniform radial basis functions to encode content and context, and maps tokens into a latent space via cross-attention. Under modality-disjoint evaluations, Atomizer outperforms standard models and demonstrates robust performance across varying resolutions and spatial sizes.
☆ Micro-macro Gaussian Splatting with Enhanced Scalability for Unconstrained Scene Reconstruction
Reconstructing 3D scenes from unconstrained image collections poses significant challenges due to variations in appearance. In this paper, we propose Scalable Micro-macro Wavelet-based Gaussian Splatting (SMW-GS), a novel method that enhances 3D reconstruction across diverse scales by decomposing scene representations into global, refined, and intrinsic components. SMW-GS incorporates the following innovations: Micro-macro Projection, which enables Gaussian points to sample multi-scale details with improved diversity; and Wavelet-based Sampling, which refines feature representations using frequency-domain information to better capture complex scene appearances. To achieve scalability, we further propose a large-scale scene promotion strategy, which optimally assigns camera views to scene partitions by maximizing their contributions to Gaussian points, achieving consistent and high-quality reconstructions even in expansive environments. Extensive experiments demonstrate that SMW-GS significantly outperforms existing methods in both reconstruction quality and scalability, particularly excelling in large-scale urban environments with challenging illumination variations. Project is available at https://github.com/Kidleyh/SMW-GS.
☆ A Semantically-Aware Relevance Measure for Content-Based Medical Image Retrieval Evaluation
Performance evaluation for Content-Based Image Retrieval (CBIR) remains a crucial but unsolved problem today especially in the medical domain. Various evaluation metrics have been discussed in the literature to solve this problem. Most of the existing metrics (e.g., precision, recall) are adapted from classification tasks which require manual labels as ground truth. However, such labels are often expensive and unavailable in specific thematic domains. Furthermore, medical images are usually associated with (radiological) case reports or annotated with descriptive captions in literature figures, such text contains information that can help to assess CBIR.Several researchers have argued that the medical concepts hidden in the text can serve as the basis for CBIR evaluation purpose. However, these works often consider these medical concepts as independent and isolated labels while in fact the subtle relationships between various concepts are neglected. In this work, we introduce the use of knowledge graphs to measure the distance between various medical concepts and propose a novel relevance measure for the evaluation of CBIR by defining an approximate matching-based relevance score between two sets of medical concepts which allows us to indirectly measure the similarity between medical images.We quantitatively demonstrate the effectiveness and feasibility of our relevance measure using a public dataset.
comment: This paper has been accepted by the International Conference on Image Analysis and Processing 2025
☆ Multiview Geometric Regularization of Gaussian Splatting for Accurate Radiance Fields
Recent methods, such as 2D Gaussian Splatting and Gaussian Opacity Fields, have aimed to address the geometric inaccuracies of 3D Gaussian Splatting while retaining its superior rendering quality. However, these approaches still struggle to reconstruct smooth and reliable geometry, particularly in scenes with significant color variation across viewpoints, due to their per-point appearance modeling and single-view optimization constraints. In this paper, we propose an effective multiview geometric regularization strategy that integrates multiview stereo (MVS) depth, RGB, and normal constraints into Gaussian Splatting initialization and optimization. Our key insight is the complementary relationship between MVS-derived depth points and Gaussian Splatting-optimized positions: MVS robustly estimates geometry in regions of high color variation through local patch-based matching and epipolar constraints, whereas Gaussian Splatting provides more reliable and less noisy depth estimates near object boundaries and regions with lower color variation. To leverage this insight, we introduce a median depth-based multiview relative depth loss with uncertainty estimation, effectively integrating MVS depth information into Gaussian Splatting optimization. We also propose an MVS-guided Gaussian Splatting initialization to avoid Gaussians falling into suboptimal positions. Extensive experiments validate that our approach successfully combines these strengths, enhancing both geometric accuracy and rendering quality across diverse indoor and outdoor scenes.
comment: Accepted to Computer Graphics Forum (EGSR 2025)
☆ Stimulus Motion Perception Studies Imply Specific Neural Computations in Human Visual Stabilization
Even during fixation the human eye is constantly in low amplitude motion, jittering over small angles in random directions at up to 100Hz. This motion results in all features of the image on the retina constantly traversing a number of cones, yet objects which are stable in the world are perceived to be stable, and any object which is moving in the world is perceived to be moving. A series of experiments carried out over a dozen years revealed the psychophysics of visual stabilization to be more nuanced than might be assumed, say, from the mechanics of stabilization of camera images, or what might be assumed to be the simplest solution from an evolutionary perspective. The psychophysics revealed by the experiments strongly implies a specific set of operations on retinal signals resulting in the observed stabilization behavior. The presentation is in two levels. First is a functional description of the action of the mechanism that is very likely responsible for the experimentally observed behavior. Second is a more speculative proposal of circuit-level neural elements that might implement the functional behavior.
☆ FOAM: A General Frequency-Optimized Anti-Overlapping Framework for Overlapping Object Perception
Overlapping object perception aims to decouple the randomly overlapping foreground-background features, extracting foreground features while suppressing background features, which holds significant application value in fields such as security screening and medical auxiliary diagnosis. Despite some research efforts to tackle the challenge of overlapping object perception, most solutions are confined to the spatial domain. Through frequency domain analysis, we observe that the degradation of contours and textures due to the overlapping phenomenon can be intuitively reflected in the magnitude spectrum. Based on this observation, we propose a general Frequency-Optimized Anti-Overlapping Framework (FOAM) to assist the model in extracting more texture and contour information, thereby enhancing the ability for anti-overlapping object perception. Specifically, we design the Frequency Spatial Transformer Block (FSTB), which can simultaneously extract features from both the frequency and spatial domains, helping the network capture more texture features from the foreground. In addition, we introduce the Hierarchical De-Corrupting (HDC) mechanism, which aligns adjacent features in the separately constructed base branch and corruption branch using a specially designed consistent loss during the training phase. This mechanism suppresses the response to irrelevant background features of FSTBs, thereby improving the perception of foreground contour. We conduct extensive experiments to validate the effectiveness and generalization of the proposed FOAM, which further improves the accuracy of state-of-the-art models on four datasets, specifically for the three overlapping object perception tasks: Prohibited Item Detection, Prohibited Item Segmentation, and Pneumonia Detection. The code will be open source once the paper is accepted.
☆ Hierarchical Multi-Positive Contrastive Learning for Patent Image Retrieval
Patent images are technical drawings that convey information about a patent's innovation. Patent image retrieval systems aim to search in vast collections and retrieve the most relevant images. Despite recent advances in information retrieval, patent images still pose significant challenges due to their technical intricacies and complex semantic information, requiring efficient fine-tuning for domain adaptation. Current methods neglect patents' hierarchical relationships, such as those defined by the Locarno International Classification (LIC) system, which groups broad categories (e.g., "furnishing") into subclasses (e.g., "seats" and "beds") and further into specific patent designs. In this work, we introduce a hierarchical multi-positive contrastive loss that leverages the LIC's taxonomy to induce such relations in the retrieval process. Our approach assigns multiple positive pairs to each patent image within a batch, with varying similarity scores based on the hierarchical taxonomy. Our experimental analysis with various vision and multimodal models on the DeepPatent2 dataset shows that the proposed method enhances the retrieval results. Notably, our method is effective with low-parameter models, which require fewer computational resources and can be deployed on environments with limited hardware.
comment: 5 pages, 3 figures, Accepted as a short paper at the 6th Workshop on Patent Text Mining and Semantic Technologies (PatentSemTech 2025), co-located with SIGIR 2025
☆ GeoSDF: Plane Geometry Diagram Synthesis via Signed Distance Field
Plane Geometry Diagram Synthesis has been a crucial task in computer graphics, with applications ranging from educational tools to AI-driven mathematical reasoning. Traditionally, we rely on computer tools (e.g., Matplotlib and GeoGebra) to manually generate precise diagrams, but it usually requires huge, complicated calculations cost. Recently, researchers start to work on learning-based methods (e.g., Stable Diffusion and GPT4) to automatically generate diagrams, saving operational cost but usually suffering from limited realism and insufficient accuracy. In this paper, we propose a novel framework GeoSDF to automatically generate diagrams efficiently and accurately with Signed Distance Field (SDF). Specifically, we first represent geometric elements in the SDF, then construct a series of constraint functions to represent geometric relationships, next we optimize such constraint functions to get an optimized field of both elements and constraints, finally by rendering the optimized field, we can obtain the synthesized diagram. In our GeoSDF, we define a symbolic language to easily represent geometric elements and those constraints, and our synthesized geometry diagrams can be self-verified in the SDF, ensuring both mathematical accuracy and visual plausibility. In experiments, our GeoSDF synthesized both normal high-school level and IMO-level geometry diagrams. Through both qualitative and quantitative analysis, we can see that synthesized diagrams are realistic and accurate, and our synthesizing process is simple and efficient. Furthermore, we obtain a very high accuracy of solving geometry problems (over 95\% while the current SOTA accuracy is around 75%) by leveraging our self-verification property. All of these demonstrate the advantage of GeoSDF, paving the way for more sophisticated, accurate, and flexible generation of geometric diagrams for a wide array of applications.
☆ Deep Diffusion Models and Unsupervised Hyperspectral Unmixing for Realistic Abundance Map Synthesis CVPR
This paper presents a novel methodology for generating realistic abundance maps from hyperspectral imagery using an unsupervised, deep-learning-driven approach. Our framework integrates blind linear hyperspectral unmixing with state-of-the-art diffusion models to enhance the realism and diversity of synthetic abundance maps. First, we apply blind unmixing to extract endmembers and abundance maps directly from raw hyperspectral data. These abundance maps then serve as inputs to a diffusion model, which acts as a generative engine to synthesize highly realistic spatial distributions. Diffusion models have recently revolutionized image synthesis by offering superior performance, flexibility, and stability, making them well-suited for high-dimensional spectral data. By leveraging this combination of physically interpretable unmixing and deep generative modeling, our approach enables the simulation of hyperspectral sensor outputs under diverse imaging conditions--critical for data augmentation, algorithm benchmarking, and model evaluation in hyperspectral analysis. Notably, our method is entirely unsupervised, ensuring adaptability to different datasets without the need for labeled training data. We validate our approach using real hyperspectral imagery from the PRISMA space mission for Earth observation, demonstrating its effectiveness in producing realistic synthetic abundance maps that capture the spatial and spectral characteristics of natural scenes.
comment: CVPRw2025
☆ From Flat to Feeling: A Feasibility and Impact Study on Dynamic Facial Emotions in AI-Generated Avatars
Dynamic facial emotion is essential for believable AI-generated avatars; however, most systems remain visually inert, limiting their utility in high-stakes simulations such as virtual training for investigative interviews with abused children. We introduce and evaluate a real-time architecture fusing Unreal Engine 5 MetaHuman rendering with NVIDIA Omniverse Audio2Face to translate vocal prosody into high-fidelity facial expressions on photorealistic child avatars. We implemented a distributed two-PC setup that decouples language processing and speech synthesis from GPU-intensive rendering, designed to support low-latency interaction in desktop and VR environments. A between-subjects study ($N=70$) using audio+visual and visual-only conditions assessed perceptual impacts as participants rated emotional clarity, facial realism, and empathy for two avatars expressing joy, sadness, and anger. Results demonstrate that avatars could express emotions recognizably, with sadness and joy achieving high identification rates. However, anger recognition significantly dropped without audio, highlighting the importance of congruent vocal cues for high-arousal emotions. Interestingly, removing audio boosted perceived facial realism, suggesting that audiovisual desynchrony remains a key design challenge. These findings confirm the technical feasibility of generating emotionally expressive avatars and provide guidance for improving non-verbal communication in sensitive training simulations.
comment: 15 pages, 4 figures, 4 tables
☆ ESRPCB: an Edge guided Super-Resolution model and Ensemble learning for tiny Printed Circuit Board Defect detection
Printed Circuit Boards (PCBs) are critical components in modern electronics, which require stringent quality control to ensure proper functionality. However, the detection of defects in small-scale PCBs images poses significant challenges as a result of the low resolution of the captured images, leading to potential confusion between defects and noise. To overcome these challenges, this paper proposes a novel framework, named ESRPCB (edgeguided super-resolution for PCBs defect detection), which combines edgeguided super-resolution with ensemble learning to enhance PCBs defect detection. The framework leverages the edge information to guide the EDSR (Enhanced Deep Super-Resolution) model with a novel ResCat (Residual Concatenation) structure, enabling it to reconstruct high-resolution images from small PCBs inputs. By incorporating edge features, the super-resolution process preserves critical structural details, ensuring that tiny defects remain distinguishable in the enhanced image. Following this, a multi-modal defect detection model employs ensemble learning to analyze the super-resolved
comment: Published in Engineering Applications of Artificial Intelligence
☆ SA-LUT: Spatial Adaptive 4D Look-Up Table for Photorealistic Style Transfer
Photorealistic style transfer (PST) enables real-world color grading by adapting reference image colors while preserving content structure. Existing methods mainly follow either approaches: generation-based methods that prioritize stylistic fidelity at the cost of content integrity and efficiency, or global color transformation methods such as LUT, which preserve structure but lack local adaptability. To bridge this gap, we propose Spatial Adaptive 4D Look-Up Table (SA-LUT), combining LUT efficiency with neural network adaptability. SA-LUT features: (1) a Style-guided 4D LUT Generator that extracts multi-scale features from the style image to predict a 4D LUT, and (2) a Context Generator using content-style cross-attention to produce a context map. This context map enables spatially-adaptive adjustments, allowing our 4D LUT to apply precise color transformations while preserving structural integrity. To establish a rigorous evaluation framework for photorealistic style transfer, we introduce PST50, the first benchmark specifically designed for PST assessment. Experiments demonstrate that SA-LUT substantially outperforms state-of-the-art methods, achieving a 66.7% reduction in LPIPS score compared to 3D LUT approaches, while maintaining real-time performance at 16 FPS for video stylization. Our code and benchmark are available at https://github.com/Ry3nG/SA-LUT
☆ Leveraging Vision-Language Pre-training for Human Activity Recognition in Still Images
Recognising human activity in a single photo enables indexing, safety and assistive applications, yet lacks motion cues. Using 285 MSCOCO images labelled as walking, running, sitting, and standing, scratch CNNs scored 41% accuracy. Fine-tuning multimodal CLIP raised this to 76%, demonstrating that contrastive vision-language pre-training decisively improves still-image action recognition in real-world deployments.
☆ Deep Learning-Based Multi-Object Tracking: A Comprehensive Survey from Foundations to State-of-the-Art
Multi-object tracking (MOT) is a core task in computer vision that involves detecting objects in video frames and associating them across time. The rise of deep learning has significantly advanced MOT, particularly within the tracking-by-detection paradigm, which remains the dominant approach. Advancements in modern deep learning-based methods accelerated in 2022 with the introduction of ByteTrack for tracking-by-detection and MOTR for end-to-end tracking. Our survey provides an in-depth analysis of deep learning-based MOT methods, systematically categorizing tracking-by-detection approaches into five groups: joint detection and embedding, heuristic-based, motion-based, affinity learning, and offline methods. In addition, we examine end-to-end tracking methods and compare them with existing alternative approaches. We evaluate the performance of recent trackers across multiple benchmarks and specifically assess their generality by comparing results across different domains. Our findings indicate that heuristic-based methods achieve state-of-the-art results on densely populated datasets with linear object motion, while deep learning-based association methods, in both tracking-by-detection and end-to-end approaches, excel in scenarios with complex motion patterns.
comment: 39 pages
☆ Overcoming Occlusions in the Wild: A Multi-Task Age Head Approach to Age Estimation
Facial age estimation has achieved considerable success under controlled conditions. However, in unconstrained real-world scenarios, which are often referred to as 'in the wild', age estimation remains challenging, especially when faces are partially occluded, which may obscure their visibility. To address this limitation, we propose a new approach integrating generative adversarial networks (GANs) and transformer architectures to enable robust age estimation from occluded faces. We employ an SN-Patch GAN to effectively remove occlusions, while an Attentive Residual Convolution Module (ARCM), paired with a Swin Transformer, enhances feature representation. Additionally, we introduce a Multi-Task Age Head (MTAH) that combines regression and distribution learning, further improving age estimation under occlusion. Experimental results on the FG-NET, UTKFace, and MORPH datasets demonstrate that our proposed approach surpasses existing state-of-the-art techniques for occluded facial age estimation by achieving an MAE of $3.00$, $4.54$, and $2.53$ years, respectively.
Self-Supervised Enhancement for Depth from a Lightweight ToF Sensor with Monocular Images
Depth map enhancement using paired high-resolution RGB images offers a cost-effective solution for improving low-resolution depth data from lightweight ToF sensors. Nevertheless, naively adopting a depth estimation pipeline to fuse the two modalities requires groundtruth depth maps for supervision. To address this, we propose a self-supervised learning framework, SelfToF, which generates detailed and scale-aware depth maps. Starting from an image-based self-supervised depth estimation pipeline, we add low-resolution depth as inputs, design a new depth consistency loss, propose a scale-recovery module, and finally obtain a large performance boost. Furthermore, since the ToF signal sparsity varies in real-world applications, we upgrade SelfToF to SelfToF* with submanifold convolution and guided feature fusion. Consequently, SelfToF* maintain robust performance across varying sparsity levels in ToF data. Overall, our proposed method is both efficient and effective, as verified by extensive experiments on the NYU and ScanNet datasets. The code will be made public.
comment: accepted by IROS 2025
☆ PRO: Projection Domain Synthesis for CT Imaging
Synthesizing high quality CT images remains a signifi-cant challenge due to the limited availability of annotat-ed data and the complex nature of CT imaging. In this work, we present PRO, a novel framework that, to the best of our knowledge, is the first to perform CT image synthesis in the projection domain using latent diffusion models. Unlike previous approaches that operate in the image domain, PRO learns rich structural representa-tions from raw projection data and leverages anatomi-cal text prompts for controllable synthesis. This projec-tion domain strategy enables more faithful modeling of underlying imaging physics and anatomical structures. Moreover, PRO functions as a foundation model, capa-ble of generalizing across diverse downstream tasks by adjusting its generative behavior via prompt inputs. Experimental results demonstrated that incorporating our synthesized data significantly improves perfor-mance across multiple downstream tasks, including low-dose and sparse-view reconstruction, even with limited training data. These findings underscore the versatility and scalability of PRO in data generation for various CT applications. These results highlight the potential of projection domain synthesis as a powerful tool for data augmentation and robust CT imaging. Our source code is publicly available at: https://github.com/yqx7150/PRO.
☆ Sparse Convolutional Recurrent Learning for Efficient Event-based Neuromorphic Object Detection
Leveraging the high temporal resolution and dynamic range, object detection with event cameras can enhance the performance and safety of automotive and robotics applications in real-world scenarios. However, processing sparse event data requires compute-intensive convolutional recurrent units, complicating their integration into resource-constrained edge applications. Here, we propose the Sparse Event-based Efficient Detector (SEED) for efficient event-based object detection on neuromorphic processors. We introduce sparse convolutional recurrent learning, which achieves over 92% activation sparsity in recurrent processing, vastly reducing the cost for spatiotemporal reasoning on sparse event data. We validated our method on Prophesee's 1 Mpx and Gen1 event-based object detection datasets. Notably, SEED sets a new benchmark in computational efficiency for event-based object detection which requires long-term temporal learning. Compared to state-of-the-art methods, SEED significantly reduces synaptic operations while delivering higher or same-level mAP. Our hardware simulations showcase the critical role of SEED's hardware-aware design in achieving energy-efficient and low-latency neuromorphic processing.
comment: Accepted by IJCNN 2025
☆ Uncertainty-Aware Remaining Lifespan Prediction from Images
Predicting mortality-related outcomes from images offers the prospect of accessible, noninvasive, and scalable health screening. We present a method that leverages pretrained vision transformer foundation models to estimate remaining lifespan from facial and whole-body images, alongside robust uncertainty quantification. We show that predictive uncertainty varies systematically with the true remaining lifespan, and that this uncertainty can be effectively modeled by learning a Gaussian distribution for each sample. Our approach achieves state-of-the-art mean absolute error (MAE) of 7.48 years on an established Dataset, and further improves to 4.79 and 5.07 years MAE on two new, higher-quality datasets curated and published in this work. Importantly, our models provide well-calibrated uncertainty estimates, as demonstrated by a bucketed expected calibration error of 0.62 years. While not intended for clinical deployment, these results highlight the potential of extracting medically relevant signals from images. We make all code and datasets available to facilitate further research.
comment: Submitted to IMPACT 2025
☆ JENGA: Object selection and pose estimation for robotic grasping from a stack
Vision-based robotic object grasping is typically investigated in the context of isolated objects or unstructured object sets in bin picking scenarios. However, there are several settings, such as construction or warehouse automation, where a robot needs to interact with a structured object formation such as a stack. In this context, we define the problem of selecting suitable objects for grasping along with estimating an accurate 6DoF pose of these objects. To address this problem, we propose a camera-IMU based approach that prioritizes unobstructed objects on the higher layers of stacks and introduce a dataset for benchmarking and evaluation, along with a suitable evaluation metric that combines object selection with pose accuracy. Experimental results show that although our method can perform quite well, this is a challenging problem if a completely error-free solution is needed. Finally, we show results from the deployment of our method for a brick-picking application in a construction scenario.
☆ Audio-Visual Driven Compression for Low-Bitrate Talking Head Videos
Talking head video compression has advanced with neural rendering and keypoint-based methods, but challenges remain, especially at low bit rates, including handling large head movements, suboptimal lip synchronization, and distorted facial reconstructions. To address these problems, we propose a novel audio-visual driven video codec that integrates compact 3D motion features and audio signals. This approach robustly models significant head rotations and aligns lip movements with speech, improving both compression efficiency and reconstruction quality. Experiments on the CelebV-HQ dataset show that our method reduces bitrate by 22% compared to VVC and by 8.5% over state-of-the-art learning-based codec. Furthermore, it provides superior lip-sync accuracy and visual fidelity at comparable bitrates, highlighting its effectiveness in bandwidth-constrained scenarios.
comment: Accepted to ICMR2025
☆ Simple is what you need for efficient and accurate medical image segmentation
While modern segmentation models often prioritize performance over practicality, we advocate a design philosophy prioritizing simplicity and efficiency, and attempted high performance segmentation model design. This paper presents SimpleUNet, a scalable ultra-lightweight medical image segmentation model with three key innovations: (1) A partial feature selection mechanism in skip connections for redundancy reduction while enhancing segmentation performance; (2) A fixed-width architecture that prevents exponential parameter growth across network stages; (3) An adaptive feature fusion module achieving enhanced representation with minimal computational overhead. With a record-breaking 16 KB parameter configuration, SimpleUNet outperforms LBUNet and other lightweight benchmarks across multiple public datasets. The 0.67 MB variant achieves superior efficiency (8.60 GFLOPs) and accuracy, attaining a mean DSC/IoU of 85.76%/75.60% on multi-center breast lesion datasets, surpassing both U-Net and TransUNet. Evaluations on skin lesion datasets (ISIC 2017/2018: mDice 84.86%/88.77%) and endoscopic polyp segmentation (KVASIR-SEG: 86.46%/76.48% mDice/mIoU) confirm consistent dominance over state-of-the-art models. This work demonstrates that extreme model compression need not compromise performance, providing new insights for efficient and accurate medical image segmentation. Codes can be found at https://github.com/Frankyu5666666/SimpleUNet.
comment: 15 pages, 11 figures
☆ Zero-Shot Solving of Imaging Inverse Problems via Noise-Refined Likelihood Guided Diffusion Models
Diffusion models have achieved remarkable success in imaging inverse problems owing to their powerful generative capabilities. However, existing approaches typically rely on models trained for specific degradation types, limiting their generalizability to various degradation scenarios. To address this limitation, we propose a zero-shot framework capable of handling various imaging inverse problems without model retraining. We introduce a likelihood-guided noise refinement mechanism that derives a closed-form approximation of the likelihood score, simplifying score estimation and avoiding expensive gradient computations. This estimated score is subsequently utilized to refine the model-predicted noise, thereby better aligning the restoration process with the generative framework of diffusion models. In addition, we integrate the Denoising Diffusion Implicit Models (DDIM) sampling strategy to further improve inference efficiency. The proposed mechanism can be applied to both optimization-based and sampling-based schemes, providing an effective and flexible zero-shot solution for imaging inverse problems. Extensive experiments demonstrate that our method achieves superior performance across multiple inverse problems, particularly in compressive sensing, delivering high-quality reconstructions even at an extremely low sampling rate (5%).
☆ TR2M: Transferring Monocular Relative Depth to Metric Depth with Language Descriptions and Scale-Oriented Contrast
This work presents a generalizable framework to transfer relative depth to metric depth. Current monocular depth estimation methods are mainly divided into metric depth estimation (MMDE) and relative depth estimation (MRDE). MMDEs estimate depth in metric scale but are often limited to a specific domain. MRDEs generalize well across different domains, but with uncertain scales which hinders downstream applications. To this end, we aim to build up a framework to solve scale uncertainty and transfer relative depth to metric depth. Previous methods used language as input and estimated two factors for conducting rescaling. Our approach, TR2M, utilizes both text description and image as inputs and estimates two rescale maps to transfer relative depth to metric depth at pixel level. Features from two modalities are fused with a cross-modality attention module to better capture scale information. A strategy is designed to construct and filter confident pseudo metric depth for more comprehensive supervision. We also develop scale-oriented contrastive learning to utilize depth distribution as guidance to enforce the model learning about intrinsic knowledge aligning with the scale distribution. TR2M only exploits a small number of trainable parameters to train on datasets in various domains and experiments not only demonstrate TR2M's great performance in seen datasets but also reveal superior zero-shot capabilities on five unseen datasets. We show the huge potential in pixel-wise transferring relative depth to metric depth with language assistance. (Code is available at: https://github.com/BeileiCui/TR2M)
☆ DicFace: Dirichlet-Constrained Variational Codebook Learning for Temporally Coherent Video Face Restoration
Video face restoration faces a critical challenge in maintaining temporal consistency while recovering fine facial details from degraded inputs. This paper presents a novel approach that extends Vector-Quantized Variational Autoencoders (VQ-VAEs), pretrained on static high-quality portraits, into a video restoration framework through variational latent space modeling. Our key innovation lies in reformulating discrete codebook representations as Dirichlet-distributed continuous variables, enabling probabilistic transitions between facial features across frames. A spatio-temporal Transformer architecture jointly models inter-frame dependencies and predicts latent distributions, while a Laplacian-constrained reconstruction loss combined with perceptual (LPIPS) regularization enhances both pixel accuracy and visual quality. Comprehensive evaluations on blind face restoration, video inpainting, and facial colorization tasks demonstrate state-of-the-art performance. This work establishes an effective paradigm for adapting intensive image priors, pretrained on high-quality images, to video restoration while addressing the critical challenge of flicker artifacts. The source code has been open-sourced and is available at https://github.com/fudan-generative-vision/DicFace.
☆ TextureSplat: Per-Primitive Texture Mapping for Reflective Gaussian Splatting
Gaussian Splatting have demonstrated remarkable novel view synthesis performance at high rendering frame rates. Optimization-based inverse rendering within complex capture scenarios remains however a challenging problem. A particular case is modelling complex surface light interactions for highly reflective scenes, which results in intricate high frequency specular radiance components. We hypothesize that such challenging settings can benefit from increased representation power. We hence propose a method that tackles this issue through a geometrically and physically grounded Gaussian Splatting borne radiance field, where normals and material properties are spatially variable in the primitive's local space. Using per-primitive texture maps for this purpose, we also propose to harness the GPU hardware to accelerate rendering at test time via unified material texture atlas.
comment: Code will be available at https://github.com/maeyounes/TextureSplat
☆ Advancing Image-Based Grapevine Variety Classification with a New Benchmark and Evaluation of Masked Autoencoders
Grapevine varieties are essential for the economies of many wine-producing countries, influencing the production of wine, juice, and the consumption of fruits and leaves. Traditional identification methods, such as ampelography and molecular analysis, have limitations: ampelography depends on expert knowledge and is inherently subjective, while molecular methods are costly and time-intensive. To address these limitations, recent studies have applied deep learning (DL) models to classify grapevine varieties using image data. However, due to the small dataset sizes, these methods often depend on transfer learning from datasets from other domains, e.g., ImageNet1K (IN1K), which can lead to performance degradation due to domain shift and supervision collapse. In this context, self-supervised learning (SSL) methods can be a good tool to avoid this performance degradation, since they can learn directly from data, without external labels. This study presents an evaluation of Masked Autoencoders (MAEs) for identifying grapevine varieties based on field-acquired images. The main contributions of this study include two benchmarks comprising 43 grapevine varieties collected across different seasons, an analysis of MAE's application in the agricultural context, and a performance comparison of trained models across seasons. Our results show that a ViT-B/16 model pre-trained with MAE and the unlabeled dataset achieved an F1 score of 0.7956, outperforming all other models. Additionally, we observed that pre-trained models benefit from long pre-training, perform well under low-data training regime, and that simple data augmentation methods are more effective than complex ones. The study also found that the mask ratio in MAE impacts performance only marginally.
☆ Joint Analysis of Optical and SAR Vegetation Indices for Vineyard Monitoring: Assessing Biomass Dynamics and Phenological Stages over Po Valley, Italy
Multi-polarized Synthetic Aperture Radar (SAR) technology has gained increasing attention in agriculture, offering unique capabilities for monitoring vegetation dynamics thanks to its all-weather, day-and-night operation and high revisit frequency. This study presents, for the first time, a comprehensive analysis combining dual-polarimetric radar vegetation index (DpRVI) with optical indices to characterize vineyard crops. Vineyards exhibit distinct non-isotropic scattering behavior due to their pronounced row orientation, making them particularly challenging and interesting targets for remote sensing. The research further investigates the relationship between DpRVI and optical vegetation indices, demonstrating the complementary nature of their information. We demonstrate that DpRVI and optical indices provide complementary information, with low correlation suggesting that they capture distinct vineyard features. Key findings reveal a parabolic trend in DpRVI over the growing season, potentially linked to biomass dynamics estimated via the Winkler Index. Unlike optical indices reflecting vegetation greenness, DpRVI appears more directly related to biomass growth, aligning with specific phenological phases. Preliminary results also highlight the potential of DpRVI for distinguishing vineyards from other crops. This research aligns with the objectives of the PNRR-NODES project, which promotes nature-based solutions (NbS) for sustainable vineyard management. The application of DpRVI for monitoring vineyards is part of integrating remote sensing techniques into the broader field of strategies for climate-related change adaptation and risk reduction, emphasizing the role of innovative SAR-based monitoring in sustainable agriculture.
☆ VIS-Shepherd: Constructing Critic for LLM-based Data Visualization Generation
Data visualization generation using Large Language Models (LLMs) has shown promising results but often produces suboptimal visualizations that require human intervention for improvement. In this work, we introduce VIS-Shepherd, a specialized Multimodal Large Language Model (MLLM)-based critic to evaluate and provide feedback for LLM-generated data visualizations. At the core of our approach is a framework to construct a high-quality visualization critique dataset, where we collect human-created visualization instances, synthesize corresponding LLM-generated instances, and construct high-quality critiques. We conduct both model-based automatic evaluation and human preference studies to evaluate the effectiveness of our approach. Our experiments show that even small (7B parameters) open-source MLLM models achieve substantial performance gains by leveraging our high-quality visualization critique dataset, reaching levels comparable to much larger open-source or even proprietary models. Our work demonstrates significant potential for MLLM-based automated visualization critique and indicates promising directions for enhancing LLM-based data visualization generation. Our project page: https://github.com/bopan3/VIS-Shepherd.
☆ Active Multimodal Distillation for Few-shot Action Recognition IJCAI 2025
Owing to its rapid progress and broad application prospects, few-shot action recognition has attracted considerable interest. However, current methods are predominantly based on limited single-modal data, which does not fully exploit the potential of multimodal information. This paper presents a novel framework that actively identifies reliable modalities for each sample using task-specific contextual cues, thus significantly improving recognition performance. Our framework integrates an Active Sample Inference (ASI) module, which utilizes active inference to predict reliable modalities based on posterior distributions and subsequently organizes them accordingly. Unlike reinforcement learning, active inference replaces rewards with evidence-based preferences, making more stable predictions. Additionally, we introduce an active mutual distillation module that enhances the representation learning of less reliable modalities by transferring knowledge from more reliable ones. Adaptive multimodal inference is employed during the meta-test to assign higher weights to reliable modalities. Extensive experiments across multiple benchmarks demonstrate that our method significantly outperforms existing approaches.
comment: IJCAI 2025, the 34th International Joint Conference on Artificial Intelligence
☆ Action Dubber: Timing Audible Actions via Inflectional Flow ICML2025
We introduce the task of Audible Action Temporal Localization, which aims to identify the spatio-temporal coordinates of audible movements. Unlike conventional tasks such as action recognition and temporal action localization, which broadly analyze video content, our task focuses on the distinct kinematic dynamics of audible actions. It is based on the premise that key actions are driven by inflectional movements; for example, collisions that produce sound often involve abrupt changes in motion. To capture this, we propose $TA^{2}Net$, a novel architecture that estimates inflectional flow using the second derivative of motion to determine collision timings without relying on audio input. $TA^{2}Net$ also integrates a self-supervised spatial localization strategy during training, combining contrastive learning with spatial analysis. This dual design improves temporal localization accuracy and simultaneously identifies sound sources within video frames. To support this task, we introduce a new benchmark dataset, $Audible623$, derived from Kinetics and UCF101 by removing non-essential vocalization subsets. Extensive experiments confirm the effectiveness of our approach on $Audible623$ and show strong generalizability to other domains, such as repetitive counting and sound source localization. Code and dataset are available at https://github.com/WenlongWan/Audible623.
comment: Accepted by ICML2025
☆ Quantitative Comparison of Fine-Tuning Techniques for Pretrained Latent Diffusion Models in the Generation of Unseen SAR Image Concepts
This work investigates the adaptation of large pre-trained latent diffusion models to a radically new imaging domain: Synthetic Aperture Radar (SAR). While these generative models, originally trained on natural images, demonstrate impressive capabilities in text-to-image synthesis, they are not natively adapted to represent SAR data, which involves different physics, statistical distributions, and visual characteristics. Using a sizeable SAR dataset (on the order of 100,000 to 1 million images), we address the fundamental question of fine-tuning such models for this unseen modality. We explore and compare multiple fine-tuning strategies, including full model fine-tuning and parameter-efficient approaches like Low-Rank Adaptation (LoRA), focusing separately on the UNet diffusion backbone and the text encoder components. To evaluate generative quality, we combine several metrics: statistical distance from real SAR distributions, textural similarity via GLCM descriptors, and semantic alignment assessed with a CLIP model fine-tuned on SAR data. Our results show that a hybrid tuning strategy yields the best performance: full fine-tuning of the UNet is better at capturing low-level SAR-specific patterns, while LoRA-based partial tuning of the text encoder, combined with embedding learning of the token, suffices to preserve prompt alignment. This work provides a methodical strategy for adapting foundation models to unconventional imaging modalities beyond natural image domains.
☆ Brain Imaging Foundation Models, Are We There Yet? A Systematic Review of Foundation Models for Brain Imaging and Biomedical Research
Foundation models (FMs), large neural networks pretrained on extensive and diverse datasets, have revolutionized artificial intelligence and shown significant promise in medical imaging by enabling robust performance with limited labeled data. Although numerous surveys have reviewed the application of FM in healthcare care, brain imaging remains underrepresented, despite its critical role in the diagnosis and treatment of neurological diseases using modalities such as MRI, CT, and PET. Existing reviews either marginalize brain imaging or lack depth on the unique challenges and requirements of FM in this domain, such as multimodal data integration, support for diverse clinical tasks, and handling of heterogeneous, fragmented datasets. To address this gap, we present the first comprehensive and curated review of FMs for brain imaging. We systematically analyze 161 brain imaging datasets and 86 FM architectures, providing information on key design choices, training paradigms, and optimizations driving recent advances. Our review highlights the leading models for various brain imaging tasks, summarizes their innovations, and critically examines current limitations and blind spots in the literature. We conclude by outlining future research directions to advance FM applications in brain imaging, with the aim of fostering progress in both clinical and research settings.
☆ AttentionDrag: Exploiting Latent Correlation Knowledge in Pre-trained Diffusion Models for Image Editing
Traditional point-based image editing methods rely on iterative latent optimization or geometric transformations, which are either inefficient in their processing or fail to capture the semantic relationships within the image. These methods often overlook the powerful yet underutilized image editing capabilities inherent in pre-trained diffusion models. In this work, we propose a novel one-step point-based image editing method, named AttentionDrag, which leverages the inherent latent knowledge and feature correlations within pre-trained diffusion models for image editing tasks. This framework enables semantic consistency and high-quality manipulation without the need for extensive re-optimization or retraining. Specifically, we reutilize the latent correlations knowledge learned by the self-attention mechanism in the U-Net module during the DDIM inversion process to automatically identify and adjust relevant image regions, ensuring semantic validity and consistency. Additionally, AttentionDrag adaptively generates masks to guide the editing process, enabling precise and context-aware modifications with friendly interaction. Our results demonstrate a performance that surpasses most state-of-the-art methods with significantly faster speeds, showing a more efficient and semantically coherent solution for point-based image editing tasks.
☆ Fair Generation without Unfair Distortions: Debiasing Text-to-Image Generation with Entanglement-Free Attention
Recent advancements in diffusion-based text-to-image (T2I) models have enabled the generation of high-quality and photorealistic images from text descriptions. However, they often exhibit societal biases related to gender, race, and socioeconomic status, thereby reinforcing harmful stereotypes and shaping public perception in unintended ways. While existing bias mitigation methods demonstrate effectiveness, they often encounter attribute entanglement, where adjustments to attributes relevant to the bias (i.e., target attributes) unintentionally alter attributes unassociated with the bias (i.e., non-target attributes), causing undesirable distribution shifts. To address this challenge, we introduce Entanglement-Free Attention (EFA), a method that accurately incorporates target attributes (e.g., White, Black, Asian, and Indian) while preserving non-target attributes (e.g., background details) during bias mitigation. At inference time, EFA randomly samples a target attribute with equal probability and adjusts the cross-attention in selected layers to incorporate the sampled attribute, achieving a fair distribution of target attributes. Extensive experiments demonstrate that EFA outperforms existing methods in mitigating bias while preserving non-target attributes, thereby maintaining the output distribution and generation capability of the original model.
☆ Automatic Multi-View X-Ray/CT Registration Using Bone Substructure Contours
Purpose: Accurate intraoperative X-ray/CT registration is essential for surgical navigation in orthopedic procedures. However, existing methods struggle with consistently achieving sub-millimeter accuracy, robustness under broad initial pose estimates or need manual key-point annotations. This work aims to address these challenges by proposing a novel multi-view X-ray/CT registration method for intraoperative bone registration. Methods: The proposed registration method consists of a multi-view, contour-based iterative closest point (ICP) optimization. Unlike previous methods, which attempt to match bone contours across the entire silhouette in both imaging modalities, we focus on matching specific subcategories of contours corresponding to bone substructures. This leads to reduced ambiguity in the ICP matches, resulting in a more robust and accurate registration solution. This approach requires only two X-ray images and operates fully automatically. Additionally, we contribute a dataset of 5 cadaveric specimens, including real X-ray images, X-ray image poses and the corresponding CT scans. Results: The proposed registration method is evaluated on real X-ray images using mean reprojection error (mRPD). The method consistently achieves sub-millimeter accuracy with a mRPD 0.67mm compared to 5.35mm by a commercial solution requiring manual intervention. Furthermore, the method offers improved practical applicability, being fully automatic. Conclusion: Our method offers a practical, accurate, and efficient solution for multi-view X-ray/CT registration in orthopedic surgeries, which can be easily combined with tracking systems. By improving registration accuracy and minimizing manual intervention, it enhances intraoperative navigation, contributing to more accurate and effective surgical outcomes in computer-assisted surgery (CAS).
comment: This paper was accepted to IPCAI 2025
☆ Anomaly Object Segmentation with Vision-Language Models for Steel Scrap Recycling
Recycling steel scrap can reduce carbon dioxide (CO2) emissions from the steel industry. However, a significant challenge in steel scrap recycling is the inclusion of impurities other than steel. To address this issue, we propose vision-language-model-based anomaly detection where a model is finetuned in a supervised manner, enabling it to handle niche objects effectively. This model enables automated detection of anomalies at a fine-grained level within steel scrap. Specifically, we finetune the image encoder, equipped with multi-scale mechanism and text prompts aligned with both normal and anomaly images. The finetuning process trains these modules using a multiclass classification as the supervision.
☆ SeqPE: Transformer with Sequential Position Encoding
Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each $n$-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.
☆ Open-Set LiDAR Panoptic Segmentation Guided by Uncertainty-Aware Learning
Autonomous vehicles that navigate in open-world environments may encounter previously unseen object classes. However, most existing LiDAR panoptic segmentation models rely on closed-set assumptions, failing to detect unknown object instances. In this work, we propose ULOPS, an uncertainty-guided open-set panoptic segmentation framework that leverages Dirichlet-based evidential learning to model predictive uncertainty. Our architecture incorporates separate decoders for semantic segmentation with uncertainty estimation, embedding with prototype association, and instance center prediction. During inference, we leverage uncertainty estimates to identify and segment unknown instances. To strengthen the model's ability to differentiate between known and unknown objects, we introduce three uncertainty-driven loss functions. Uniform Evidence Loss to encourage high uncertainty in unknown regions. Adaptive Uncertainty Separation Loss ensures a consistent difference in uncertainty estimates between known and unknown objects at a global scale. Contrastive Uncertainty Loss refines this separation at the fine-grained level. To evaluate open-set performance, we extend benchmark settings on KITTI-360 and introduce a new open-set evaluation for nuScenes. Extensive experiments demonstrate that ULOPS consistently outperforms existing open-set LiDAR panoptic segmentation methods.
☆ COME: Adding Scene-Centric Forecasting Control to Occupancy World Model
World models are critical for autonomous driving to simulate environmental dynamics and generate synthetic data. Existing methods struggle to disentangle ego-vehicle motion (perspective shifts) from scene evolvement (agent interactions), leading to suboptimal predictions. Instead, we propose to separate environmental changes from ego-motion by leveraging the scene-centric coordinate systems. In this paper, we introduce COME: a framework that integrates scene-centric forecasting Control into the Occupancy world ModEl. Specifically, COME first generates ego-irrelevant, spatially consistent future features through a scene-centric prediction branch, which are then converted into scene condition using a tailored ControlNet. These condition features are subsequently injected into the occupancy world model, enabling more accurate and controllable future occupancy predictions. Experimental results on the nuScenes-Occ3D dataset show that COME achieves consistent and significant improvements over state-of-the-art (SOTA) methods across diverse configurations, including different input sources (ground-truth, camera-based, fusion-based occupancy) and prediction horizons (3s and 8s). For example, under the same settings, COME achieves 26.3% better mIoU metric than DOME and 23.7% better mIoU metric than UniScene. These results highlight the efficacy of disentangled representation learning in enhancing spatio-temporal prediction fidelity for world models. Code and videos will be available at https://github.com/synsin0/COME.
♻ ☆ Deep Learning for Wildfire Risk Prediction: Integrating Remote Sensing and Environmental Data
Wildfires pose a significant threat to ecosystems, wildlife, and human communities, leading to habitat destruction, pollutant emissions, and biodiversity loss. Accurate wildfire risk prediction is crucial for mitigating these impacts and safeguarding both environmental and human health. This paper provides a comprehensive review of wildfire risk prediction methodologies, with a particular focus on deep learning approaches combined with remote sensing. We begin by defining wildfire risk and summarizing the geographical distribution of related studies. In terms of data, we analyze key predictive features, including fuel characteristics, meteorological and climatic conditions, socioeconomic factors, topography, and hydrology, while also reviewing publicly available wildfire prediction datasets derived from remote sensing. Additionally, we emphasize the importance of feature collinearity assessment and model interpretability to improve the understanding of prediction outcomes. Regarding methodology, we classify deep learning models into three primary categories: time-series forecasting, image segmentation, and spatiotemporal prediction, and further discuss methods for converting model outputs into risk classifications or probability-adjusted predictions. Finally, we identify the key challenges and limitations of current wildfire-risk prediction models and outline several research opportunities. These include integrating diverse remote sensing data, developing multimodal models, designing more computationally efficient architectures, and incorporating cross-disciplinary methods--such as coupling with numerical weather-prediction models--to enhance the accuracy and robustness of wildfire-risk assessments.
♻ ☆ Heart Rate Classification in ECG Signals Using Machine Learning and Deep Learning
This study addresses the classification of heartbeats from ECG signals through two distinct approaches: traditional machine learning utilizing hand-crafted features and deep learning via transformed images of ECG beats. The dataset underwent preprocessing steps, including downsampling, filtering, and normalization, to ensure consistency and relevance for subsequent analysis. In the first approach, features such as heart rate variability (HRV), mean, variance, and RR intervals were extracted to train various classifiers, including SVM, Random Forest, AdaBoost, LSTM, Bi-directional LSTM, and LightGBM. The second approach involved transforming ECG signals into images using Gramian Angular Field (GAF), Markov Transition Field (MTF), and Recurrence Plots (RP), with these images subsequently classified using CNN architectures like VGG and Inception. Experimental results demonstrate that the LightGBM model achieved the highest performance, with an accuracy of 99% and an F1 score of 0.94, outperforming the image-based CNN approach (F1 score of 0.85). Models such as SVM and AdaBoost yielded significantly lower scores, indicating limited suitability for this task. The findings underscore the superior ability of hand-crafted features to capture temporal and morphological variations in ECG signals compared to image-based representations of individual beats. Future investigations may benefit from incorporating multi-lead ECG signals and temporal dependencies across successive beats to enhance classification accuracy further.
♻ ☆ Improving Surgical Risk Prediction Through Integrating Automated Body Composition Analysis: a Retrospective Trial on Colectomy Surgery
Objective: To evaluate whether preoperative body composition metrics automatically extracted from CT scans can predict postoperative outcomes after colectomy, either alone or combined with clinical variables or existing risk predictors. Main outcomes and measures: The primary outcome was the predictive performance for 1-year all-cause mortality following colectomy. A Cox proportional hazards model with 1-year follow-up was used, and performance was evaluated using the concordance index (C-index) and Integrated Brier Score (IBS). Secondary outcomes included postoperative complications, unplanned readmission, blood transfusion, and severe infection, assessed using AUC and Brier Score from logistic regression. Odds ratios (OR) described associations between individual CT-derived body composition metrics and outcomes. Over 300 features were extracted from preoperative CTs across multiple vertebral levels, including skeletal muscle area, density, fat areas, and inter-tissue metrics. NSQIP scores were available for all surgeries after 2012.
comment: 32 pages, 5 figures
♻ ☆ XYZ-IBD: A High-precision Bin-picking Dataset for Object 6D Pose Estimation Capturing Real-world Industrial Complexity
We introduce XYZ-IBD, a bin-picking dataset for 6D pose estimation that captures real-world industrial complexity, including challenging object geometries, reflective materials, severe occlusions, and dense clutter. The dataset reflects authentic robotic manipulation scenarios with millimeter-accurate annotations. Unlike existing datasets that primarily focus on household objects, which approach saturation,XYZ-IBD represents the unsolved realistic industrial conditions. The dataset features 15 texture-less, metallic, and mostly symmetrical objects of varying shapes and sizes. These objects are heavily occluded and randomly arranged in bins with high density, replicating the challenges of real-world bin-picking. XYZ-IBD was collected using two high-precision industrial cameras and one commercially available camera, providing RGB, grayscale, and depth images. It contains 75 multi-view real-world scenes, along with a large-scale synthetic dataset rendered under simulated bin-picking conditions. We employ a meticulous annotation pipeline that includes anti-reflection spray, multi-view depth fusion, and semi-automatic annotation, achieving millimeter-level pose labeling accuracy required for industrial manipulation. Quantification in simulated environments confirms the reliability of the ground-truth annotations. We benchmark state-of-the-art methods on 2D detection, 6D pose estimation, and depth estimation tasks on our dataset, revealing significant performance degradation in our setups compared to current academic household benchmarks. By capturing the complexity of real-world bin-picking scenarios, XYZ-IBD introduces more realistic and challenging problems for future research. The dataset and benchmark are publicly available at https://xyz-ibd.github.io/XYZ-IBD/.
♻ ☆ Unify3D: An Augmented Holistic End-to-end Monocular 3D Human Reconstruction via Anatomy Shaping and Twins Negotiating
Monocular 3D clothed human reconstruction aims to create a complete 3D avatar from a single image. To tackle the human geometry lacking in one RGB image, current methods typically resort to a preceding model for an explicit geometric representation. For the reconstruction itself, focus is on modeling both it and the input image. This routine is constrained by the preceding model, and overlooks the integrity of the reconstruction task. To address this, this paper introduces a novel paradigm that treats human reconstruction as a holistic process, utilizing an end-to-end network for direct prediction from 2D image to 3D avatar, eliminating any explicit intermediate geometry display. Based on this, we further propose a novel reconstruction framework consisting of two core components: the Anatomy Shaping Extraction module, which captures implicit shape features taking into account the specialty of human anatomy, and the Twins Negotiating Reconstruction U-Net, which enhances reconstruction through feature interaction between two U-Nets of different modalities. Moreover, we propose a Comic Data Augmentation strategy and construct 15k+ 3D human scans to bolster model performance in more complex case input. Extensive experiments on two test sets and many in-the-wild cases show the superiority of our method over SOTA methods. Our demos can be found in : https://e2e3dgsrecon.github.io/e2e3dgsrecon/.
comment: The experiment result shown in Ablation Study is insufficient to support the effectiveness of the proposed methodology
♻ ☆ Enhancing Logits Distillation with Plug\&Play Kendall's $τ$ Ranking Loss
Knowledge distillation typically minimizes the Kullback-Leibler (KL) divergence between teacher and student logits. However, optimizing the KL divergence can be challenging for the student and often leads to sub-optimal solutions. We further show that gradients induced by KL divergence scale with the magnitude of the teacher logits, thereby diminishing updates on low-probability channels. This imbalance weakens the transfer of inter-class information and in turn limits the performance improvements achievable by the student. To mitigate this issue, we propose a plug-and-play auxiliary ranking loss based on Kendall's $\tau$ coefficient that can be seamlessly integrated into any logit-based distillation framework. It supplies inter-class relational information while rebalancing gradients toward low-probability channels. We demonstrate that the proposed ranking loss is largely invariant to channel scaling and optimizes an objective aligned with that of KL divergence, making it a natural complement rather than a replacement. Extensive experiments on CIFAR-100, ImageNet, and COCO datasets, as well as various CNN and ViT teacher-student architecture combinations, demonstrate that our plug-and-play ranking loss consistently boosts the performance of multiple distillation baselines. Code is available at https://github.com/OvernighTea/RankingLoss-KD
♻ ☆ Agentic 3D Scene Generation with Spatially Contextualized VLMs
Despite recent advances in multimodal content generation enabled by vision-language models (VLMs), their ability to reason about and generate structured 3D scenes remains largely underexplored. This limitation constrains their utility in spatially grounded tasks such as embodied AI, immersive simulations, and interactive 3D applications. We introduce a new paradigm that enables VLMs to generate, understand, and edit complex 3D environments by injecting a continually evolving spatial context. Constructed from multimodal input, this context consists of three components: a scene portrait that provides a high-level semantic blueprint, a semantically labeled point cloud capturing object-level geometry, and a scene hypergraph that encodes rich spatial relationships, including unary, binary, and higher-order constraints. Together, these components provide the VLM with a structured, geometry-aware working memory that integrates its inherent multimodal reasoning capabilities with structured 3D understanding for effective spatial reasoning. Building on this foundation, we develop an agentic 3D scene generation pipeline in which the VLM iteratively reads from and updates the spatial context. The pipeline features high-quality asset generation with geometric restoration, environment setup with automatic verification, and ergonomic adjustment guided by the scene hypergraph. Experiments show that our framework can handle diverse and challenging inputs, achieving a level of generalization not observed in prior work. Further results demonstrate that injecting spatial context enables VLMs to perform downstream tasks such as interactive scene editing and path planning, suggesting strong potential for spatially intelligent systems in computer graphics, 3D vision, and embodied applications. Project page: https://spatctxvlm.github.io/project_page/.
comment: Project page: https://spatctxvlm.github.io/project_page/
♻ ☆ MambaTalk: Efficient Holistic Gesture Synthesis with Selective State Space Models
Gesture synthesis is a vital realm of human-computer interaction, with wide-ranging applications across various fields like film, robotics, and virtual reality. Recent advancements have utilized the diffusion model and attention mechanisms to improve gesture synthesis. However, due to the high computational complexity of these techniques, generating long and diverse sequences with low latency remains a challenge. We explore the potential of state space models (SSMs) to address the challenge, implementing a two-stage modeling strategy with discrete motion priors to enhance the quality of gestures. Leveraging the foundational Mamba block, we introduce MambaTalk, enhancing gesture diversity and rhythm through multimodal integration. Extensive experiments demonstrate that our method matches or exceeds the performance of state-of-the-art models. Our project is publicly available at https://kkakkkka.github.io/MambaTalk
comment: Accepted to NeurlPS 2024
♻ ☆ Adaptive Sensitivity Analysis for Robust Augmentation against Natural Corruptions in Image Segmentation
Achieving robustness in image segmentation models is challenging due to the fine-grained nature of pixel-level classification. These models, which are crucial for many real-time perception applications, particularly struggle when faced with natural corruptions in the wild for autonomous systems. While sensitivity analysis can help us understand how input variables influence model outputs, its application to natural and uncontrollable corruptions in training data is computationally expensive. In this work, we present an adaptive, sensitivity-guided augmentation method to enhance robustness against natural corruptions. Our sensitivity analysis on average runs 10x faster and requires about 200x less storage than previous sensitivity analysis, enabling practical, on-the-fly estimation during training for a model-free augmentation policy. With minimal fine-tuning, our sensitivity-guided augmentation method achieves improved robustness on both real-world and synthetic datasets compared to state-of-the-art data augmentation techniques in image segmentation. Code implementation for this work can be found at: https://github.com/laurayuzheng/SensAug.
comment: 9 pages
♻ ☆ Evaluation of Vision Transformers for Multimodal Image Classification: A Case Study on Brain, Lung, and Kidney Tumors
Neural networks have become the standard technique for medical diagnostics, especially in cancer detection and classification. This work evaluates the performance of Vision Transformers architectures, including Swin Transformer and MaxViT, in several datasets of magnetic resonance imaging (MRI) and computed tomography (CT) scans. We used three training sets of images with brain, lung, and kidney tumors. Each dataset includes different classification labels, from brain gliomas and meningiomas to benign and malignant lung conditions and kidney anomalies such as cysts and cancers. This work aims to analyze the behavior of the neural networks in each dataset and the benefits of combining different image modalities and tumor classes. We designed several experiments by fine-tuning the models on combined and individual datasets. The results revealed that the Swin Transformer provided high accuracy, achieving up to 99\% on average for individual datasets and 99.4\% accuracy for the combined dataset. This research highlights the adaptability of Transformer-based models to various image modalities and features. However, challenges persist, including limited annotated data and interpretability issues. Future work will expand this study by incorporating other image modalities and enhancing diagnostic capabilities. Integrating these models across diverse datasets could mark a significant advance in precision medicine, paving the way for more efficient and comprehensive healthcare solutions.
comment: 19 pages, 9 figures, 12 tables
♻ ☆ Adaptive Feature Selection for No-Reference Image Quality Assessment by Mitigating Semantic Noise Sensitivity
The current state-of-the-art No-Reference Image Quality Assessment (NR-IQA) methods typically rely on feature extraction from upstream semantic backbone networks, assuming that all extracted features are relevant. However, we make a key observation that not all features are beneficial, and some may even be harmful, necessitating careful selection. Empirically, we find that many image pairs with small feature spatial distances can have vastly different quality scores, indicating that the extracted features may contain a significant amount of quality-irrelevant noise. To address this issue, we propose a Quality-Aware Feature Matching IQA Metric (QFM-IQM) that employs an adversarial perspective to remove harmful semantic noise features from the upstream task. Specifically, QFM-IQM enhances the semantic noise distinguish capabilities by matching image pairs with similar quality scores but varying semantic features as adversarial semantic noise and adaptively adjusting the upstream task's features by reducing sensitivity to adversarial noise perturbation. Furthermore, we utilize a distillation framework to expand the dataset and improve the model's generalization ability. Our approach achieves superior performance to the state-of-the-art NR-IQA methods on eight standard IQA datasets.
♻ ☆ AirIO: Learning Inertial Odometry with Enhanced IMU Feature Observability
Inertial odometry (IO) using only Inertial Measurement Units (IMUs) offers a lightweight and cost-effective solution for Unmanned Aerial Vehicle (UAV) applications, yet existing learning-based IO models often fail to generalize to UAVs due to the highly dynamic and non-linear-flight patterns that differ from pedestrian motion. In this work, we identify that the conventional practice of transforming raw IMU data to global coordinates undermines the observability of critical kinematic information in UAVs. By preserving the body-frame representation, our method achieves substantial performance improvements, with a 66.7% average increase in accuracy across three datasets. Furthermore, explicitly encoding attitude information into the motion network results in an additional 23.8% improvement over prior results. Combined with a data-driven IMU correction model (AirIMU) and an uncertainty-aware Extended Kalman Filter (EKF), our approach ensures robust state estimation under aggressive UAV maneuvers without relying on external sensors or control inputs. Notably, our method also demonstrates strong generalizability to unseen data not included in the training set, underscoring its potential for real-world UAV applications.
♻ ☆ Structureless VIO
Visual odometry (VO) is typically considered as a chicken-and-egg problem, as the localization and mapping modules are tightly-coupled. The estimation of a visual map relies on accurate localization information. Meanwhile, localization requires precise map points to provide motion constraints. This classical design principle is naturally inherited by visual-inertial odometry (VIO). Efficient localization solutions that do not require a map have not been fully investigated. To this end, we propose a novel structureless VIO, where the visual map is removed from the odometry framework. Experimental results demonstrated that, compared to the structure-based VIO baseline, our structureless VIO not only substantially improves computational efficiency but also has advantages in accuracy.
comment: Accepted by the SLAM Workshop at RSS 2025
♻ ☆ Inst3D-LMM: Instance-Aware 3D Scene Understanding with Multi-modal Instruction Tuning CVPR2025
Despite encouraging progress in 3D scene understanding, it remains challenging to develop an effective Large Multi-modal Model (LMM) that is capable of understanding and reasoning in complex 3D environments. Most previous methods typically encode 3D point and 2D image features separately, neglecting interactions between 2D semantics and 3D object properties, as well as the spatial relationships within the 3D environment. This limitation not only hinders comprehensive representations of 3D scene, but also compromises training and inference efficiency. To address these challenges, we propose a unified Instance-aware 3D Large Multi-modal Model (Inst3D-LMM) to deal with multiple 3D scene understanding tasks simultaneously. To obtain the fine-grained instance-level visual tokens, we first introduce a novel Multi-view Cross-Modal Fusion (MCMF) module to inject the multi-view 2D semantics into their corresponding 3D geometric features. For scene-level relation-aware tokens, we further present a 3D Instance Spatial Relation (3D-ISR) module to capture the intricate pairwise spatial relationships among objects. Additionally, we perform end-to-end multi-task instruction tuning simultaneously without the subsequent task-specific fine-tuning. Extensive experiments demonstrate that our approach outperforms the state-of-the-art methods across 3D scene understanding, reasoning and grounding tasks. Source code is available at https://github.com/hanxunyu/Inst3D-LMM
comment: CVPR2025, Code Link: https://github.com/hanxunyu/Inst3D-LMM
♻ ☆ Comparative Evaluation of 3D Reconstruction Methods for Object Pose Estimation
Object pose estimation is essential to many industrial applications involving robotic manipulation, navigation, and augmented reality. Current generalizable object pose estimators, i.e., approaches that do not need to be trained per object, rely on accurate 3D models. Predominantly, CAD models are used, which can be hard to obtain in practice. At the same time, it is often possible to acquire images of an object. Naturally, this leads to the question whether 3D models reconstructed from images are sufficient to facilitate accurate object pose estimation. We aim to answer this question by proposing a novel benchmark for measuring the impact of 3D reconstruction quality on pose estimation accuracy. Our benchmark provides calibrated images for object reconstruction registered with the test images of the YCB-V dataset for pose evaluation under the BOP benchmark format. Detailed experiments with multiple state-of-the-art 3D reconstruction and object pose estimation approaches show that the geometry produced by modern reconstruction methods is often sufficient for accurate pose estimation. Our experiments lead to interesting observations: (1) Standard metrics for measuring 3D reconstruction quality are not necessarily indicative of pose estimation accuracy, which shows the need for dedicated benchmarks such as ours. (2) Classical, non-learning-based approaches can perform on par with modern learning-based reconstruction techniques and can even offer a better reconstruction time-pose accuracy tradeoff. (3) There is still a sizable gap between performance with reconstructed and with CAD models. To foster research on closing this gap, our benchmark is publicly available at https://github.com/VarunBurde/reconstruction_pose_benchmark}.
♻ ☆ Bokeh Diffusion: Defocus Blur Control in Text-to-Image Diffusion Models
Recent advances in large-scale text-to-image models have revolutionized creative fields by generating visually captivating outputs from textual prompts; however, while traditional photography offers precise control over camera settings to shape visual aesthetics - such as depth-of-field via aperture - current diffusion models typically rely on prompt engineering to mimic such effects. This approach often results in crude approximations and inadvertently alters the scene content. In this work, we propose Bokeh Diffusion, a scene-consistent bokeh control framework that explicitly conditions a diffusion model on a physical defocus blur parameter. To overcome the scarcity of paired real-world images captured under different camera settings, we introduce a hybrid training pipeline that aligns in-the-wild images with synthetic blur augmentations, providing diverse scenes and subjects as well as supervision to learn the separation of image content from lens blur. Central to our framework is our grounded self-attention mechanism, trained on image pairs with different bokeh levels of the same scene, which enables blur strength to be adjusted in both directions while preserving the underlying scene. Extensive experiments demonstrate that our approach enables flexible, lens-like blur control, supports downstream applications such as real image editing via inversion, and generalizes effectively across both Stable Diffusion and FLUX architectures.
comment: Project page: https://atfortes.github.io/projects/bokeh-diffusion/
♻ ☆ Efficient Unsupervised Shortcut Learning Detection and Mitigation in Transformers
Shortcut learning, i.e., a model's reliance on undesired features not directly relevant to the task, is a major challenge that severely limits the applications of machine learning algorithms, particularly when deploying them to assist in making sensitive decisions, such as in medical diagnostics. In this work, we leverage recent advancements in machine learning to create an unsupervised framework that is capable of both detecting and mitigating shortcut learning in transformers. We validate our method on multiple datasets. Results demonstrate that our framework significantly improves both worst-group accuracy (samples misclassified due to shortcuts) and average accuracy, while minimizing human annotation effort. Moreover, we demonstrate that the detected shortcuts are meaningful and informative to human experts, and that our framework is computationally efficient, allowing it to be run on consumer hardware.
♻ ☆ Dissecting RGB-D Learning for Improved Multi-modal Fusion
In the RGB-D vision community, extensive research has been focused on designing multi-modal learning strategies and fusion structures. However, the complementary and fusion mechanisms in RGB-D models remain a black box. In this paper, we present an analytical framework and a novel score to dissect the RGB-D vision community. Our approach involves measuring proposed semantic variance and feature similarity across modalities and levels, conducting visual and quantitative analyzes on multi-modal learning through comprehensive experiments. Specifically, we investigate the consistency and specialty of features across modalities, evolution rules within each modality, and the collaboration logic used when optimizing a RGB-D model. Our studies reveal/verify several important findings, such as the discrepancy in cross-modal features and the hybrid multi-modal cooperation rule, which highlights consistency and specialty simultaneously for complementary inference. We also showcase the versatility of the proposed RGB-D dissection method and introduce a straightforward fusion strategy based on our findings, which delivers significant enhancements across various tasks and even other multi-modal data.
♻ ☆ Recognizing Unseen States of Unknown Objects by Leveraging Knowledge Graphs
We investigate the problem of Object State Classification (OSC) as a zero-shot learning problem. Specifically, we propose the first Object-agnostic State Classification (OaSC) method that infers the state of a certain object without relying on the knowledge or the estimation of the object class. In that direction, we capitalize on Knowledge Graphs (KGs) for structuring and organizing knowledge, which, in combination with visual information, enable the inference of the states of objects in object/state pairs that have not been encountered in the method's training set. A series of experiments investigate the performance of the proposed method in various settings, against several hypotheses and in comparison with state of the art approaches for object attribute classification. The experimental results demonstrate that the knowledge of an object class is not decisive for the prediction of its state. Moreover, the proposed OaSC method outperforms existing methods in all datasets and benchmarks by a great margin.
comment: This is the authors' version of the paper published at IEEE/CVF Winter Conference on Applications of Computer Vision (WACV) 2025. The definitive version is available at: https://openaccess.thecvf.com/content/WACV2025/html/Gouidis_Recognizing_Unseen_States_of_Unknown_Objects_by_Leveraging_Knowledge_Graphs_WACV_2025_paper.html
♻ ☆ Multiverse Through Deepfakes: The MultiFakeVerse Dataset of Person-Centric Visual and Conceptual Manipulations
The rapid advancement of GenAI technology over the past few years has significantly contributed towards highly realistic deepfake content generation. Despite ongoing efforts, the research community still lacks a large-scale and reasoning capability driven deepfake benchmark dataset specifically tailored for person-centric object, context and scene manipulations. In this paper, we address this gap by introducing MultiFakeVerse, a large scale person-centric deepfake dataset, comprising 845,286 images generated through manipulation suggestions and image manipulations both derived from vision-language models (VLM). The VLM instructions were specifically targeted towards modifications to individuals or contextual elements of a scene that influence human perception of importance, intent, or narrative. This VLM-driven approach enables semantic, context-aware alterations such as modifying actions, scenes, and human-object interactions rather than synthetic or low-level identity swaps and region-specific edits that are common in existing datasets. Our experiments reveal that current state-of-the-art deepfake detection models and human observers struggle to detect these subtle yet meaningful manipulations. The code and dataset are available on \href{https://github.com/Parul-Gupta/MultiFakeVerse}{GitHub}.
♻ ☆ VideoMat: Extracting PBR Materials from Video Diffusion Models
We leverage finetuned video diffusion models, intrinsic decomposition of videos, and physically-based differentiable rendering to generate high quality materials for 3D models given a text prompt or a single image. We condition a video diffusion model to respect the input geometry and lighting condition. This model produces multiple views of a given 3D model with coherent material properties. Secondly, we use a recent model to extract intrinsics (base color, roughness, metallic) from the generated video. Finally, we use the intrinsics alongside the generated video in a differentiable path tracer to robustly extract PBR materials directly compatible with common content creation tools.
comment: Project website: https://nvlabs.github.io/videomat/
♻ ☆ Zero-Shot Temporal Interaction Localization for Egocentric Videos
Locating human-object interaction (HOI) actions within video serves as the foundation for multiple downstream tasks, such as human behavior analysis and human-robot skill transfer. Current temporal action localization methods typically rely on annotated action and object categories of interactions for optimization, which leads to domain bias and low deployment efficiency. Although some recent works have achieved zero-shot temporal action localization (ZS-TAL) with large vision-language models (VLMs), their coarse-grained estimations and open-loop pipelines hinder further performance improvements for temporal interaction localization (TIL). To address these issues, we propose a novel zero-shot TIL approach dubbed EgoLoc to locate the timings of grasp actions for human-object interaction in egocentric videos. EgoLoc introduces a self-adaptive sampling strategy to generate reasonable visual prompts for VLM reasoning. By absorbing both 2D and 3D observations, it directly samples high-quality initial guesses around the possible contact/separation timestamps of HOI according to 3D hand velocities, leading to high inference accuracy and efficiency. In addition, EgoLoc generates closed-loop feedback from visual and dynamic cues to further refine the localization results. Comprehensive experiments on the publicly available dataset and our newly proposed benchmark demonstrate that EgoLoc achieves better temporal interaction localization for egocentric videos compared to state-of-the-art baselines. We will release our code and relevant data as open-source at https://github.com/IRMVLab/EgoLoc.
♻ ☆ Real-time Seafloor Segmentation and Mapping
Posidonia oceanica meadows are a species of seagrass highly dependent on rocks for their survival and conservation. In recent years, there has been a concerning global decline in this species, emphasizing the critical need for efficient monitoring and assessment tools. While deep learning-based semantic segmentation and visual automated monitoring systems have shown promise in a variety of applications, their performance in underwater environments remains challenging due to complex water conditions and limited datasets. This paper introduces a framework that combines machine learning and computer vision techniques to enable an autonomous underwater vehicle (AUV) to inspect the boundaries of Posidonia oceanica meadows autonomously. The framework incorporates an image segmentation module using an existing Mask R-CNN model and a strategy for Posidonia oceanica meadow boundary tracking. Furthermore, a new class dedicated to rocks is introduced to enhance the existing model, aiming to contribute to a comprehensive monitoring approach and provide a deeper understanding of the intricate interactions between the meadow and its surrounding environment. The image segmentation model is validated using real underwater images, while the overall inspection framework is evaluated in a realistic simulation environment, replicating actual monitoring scenarios with real underwater images. The results demonstrate that the proposed framework enables the AUV to autonomously accomplish the main tasks of underwater inspection and segmentation of rocks. Consequently, this work holds significant potential for the conservation and protection of marine environments, providing valuable insights into the status of Posidonia oceanica meadows and supporting targeted preservation efforts
♻ ☆ Test-time Contrastive Concepts for Open-world Semantic Segmentation with Vision-Language Models
Recent CLIP-like Vision-Language Models (VLMs), pre-trained on large amounts of image-text pairs to align both modalities with a simple contrastive objective, have paved the way to open-vocabulary semantic segmentation. Given an arbitrary set of textual queries, image pixels are assigned the closest query in feature space. However, this works well when a user exhaustively lists all possible visual concepts in an image that contrast against each other for the assignment. This corresponds to the current evaluation setup in the literature, which relies on having access to a list of in-domain relevant concepts, typically classes of a benchmark dataset. Here, we consider the more challenging (and realistic) scenario of segmenting a single concept, given a textual prompt and nothing else. To achieve good results, besides contrasting with the generic 'background' text, we propose two different approaches to automatically generate, at test time, query-specific textual contrastive concepts. We do so by leveraging the distribution of text in the VLM's training set or crafted LLM prompts. We also propose a metric designed to evaluate this scenario and show the relevance of our approach on commonly used datasets.
comment: TMLR camera-ready
♻ ☆ Foundation Models in Medical Imaging -- A Review and Outlook
Foundation models (FMs) are changing the way medical images are analyzed by learning from large collections of unlabeled data. Instead of relying on manually annotated examples, FMs are pre-trained to learn general-purpose visual features that can later be adapted to specific clinical tasks with little additional supervision. In this review, we examine how FMs are being developed and applied in pathology, radiology, and ophthalmology, drawing on evidence from over 150 studies. We explain the core components of FM pipelines, including model architectures, self-supervised learning methods, and strategies for downstream adaptation. We also review how FMs are being used in each imaging domain and compare design choices across applications. Finally, we discuss key challenges and open questions to guide future research.
♻ ☆ Deep Network Pruning: A Comparative Study on CNNs in Face Recognition
The widespread use of mobile devices for all kinds of transactions makes necessary reliable and real-time identity authentication, leading to the adoption of face recognition (FR) via the cameras embedded in such devices. Progress of deep Convolutional Neural Networks (CNNs) has provided substantial advances in FR. Nonetheless, the size of state-of-the-art architectures is unsuitable for mobile deployment, since they often encompass hundreds of megabytes and millions of parameters. We address this by studying methods for deep network compression applied to FR. In particular, we apply network pruning based on Taylor scores, where less important filters are removed iteratively. The method is tested on three networks based on the small SqueezeNet (1.24M parameters) and the popular MobileNetv2 (3.5M) and ResNet50 (23.5M) architectures. These have been selected to showcase the method on CNNs with different complexities and sizes. We observe that a substantial percentage of filters can be removed with minimal performance loss. Also, filters with the highest amount of output channels tend to be removed first, suggesting that high-dimensional spaces within popular CNNs are over-dimensioned.
comment: Accepted at Pattern Recognition Letters
♻ ☆ Beautiful Images, Toxic Words: Understanding and Addressing Offensive Text in Generated Images
State-of-the-art Diffusion Models (DMs) produce highly realistic images. While prior work has successfully mitigated Not Safe For Work (NSFW) content in the visual domain, we identify a novel threat: the generation of NSFW text embedded within images. This includes offensive language, such as insults, racial slurs, and sexually explicit terms, posing significant risks to users. We show that all state-of-the-art DMs (e.g., SD3, SDXL, Flux, DeepFloyd IF) are vulnerable to this issue. Through extensive experiments, we demonstrate that existing mitigation techniques, effective for visual content, fail to prevent harmful text generation while substantially degrading benign text generation. As an initial step toward addressing this threat, we introduce a novel fine-tuning strategy that targets only the text-generation layers in DMs. Therefore, we construct a safety fine-tuning dataset by pairing each NSFW prompt with two images: one with the NSFW term, and another where that term is replaced with a carefully crafted benign alternative while leaving the image unchanged otherwise. By training on this dataset, the model learns to avoid generating harmful text while preserving benign content and overall image quality. Finally, to advance research in the area, we release ToxicBench, an open-source benchmark for evaluating NSFW text generation in images. It includes our curated fine-tuning dataset, a set of harmful prompts, new evaluation metrics, and a pipeline that assesses both NSFW-ness and text and image quality. Our benchmark aims to guide future efforts in mitigating NSFW text generation in text-to-image models, thereby contributing to their safe deployment. The benchmark is available online for download.
♻ ☆ RIFLEx: A Free Lunch for Length Extrapolation in Video Diffusion Transformers ICML 2025
Recent advancements in video generation have enabled models to synthesize high-quality, minute-long videos. However, generating even longer videos with temporal coherence remains a major challenge and existing length extrapolation methods lead to temporal repetition or motion deceleration. In this work, we systematically analyze the role of frequency components in positional embeddings and identify an intrinsic frequency that primarily governs extrapolation behavior. Based on this insight, we propose RIFLEx, a minimal yet effective approach that reduces the intrinsic frequency to suppress repetition while preserving motion consistency, without requiring any additional modifications. RIFLEx offers a true free lunch--achieving high-quality 2x extrapolation on state-of-the-art video diffusion transformers in a completely training-free manner. Moreover, it enhances quality and enables 3x extrapolation by minimal fine-tuning without long videos. Project page and codes: https://riflex-video.github.io/.
comment: ICML 2025
♻ ☆ BiFold: Bimanual Cloth Folding with Language Guidance
Cloth folding is a complex task due to the inevitable self-occlusions of clothes, their complicated dynamics, and the disparate materials, geometries, and textures that garments can have. In this work, we learn folding actions conditioned on text commands. Translating high-level, abstract instructions into precise robotic actions requires sophisticated language understanding and manipulation capabilities. To do that, we leverage a pre-trained vision-language model and repurpose it to predict manipulation actions. Our model, BiFold, can take context into account and achieves state-of-the-art performance on an existing language-conditioned folding benchmark. To address the lack of annotated bimanual folding data, we introduce a novel dataset with automatically parsed actions and language-aligned instructions, enabling better learning of text-conditioned manipulation. BiFold attains the best performance on our dataset and demonstrates strong generalization to new instructions, garments, and environments.
comment: Accepted at ICRA 2025. Project page at https://barbany.github.io/bifold/
♻ ☆ Learning Coherent Matrixized Representation in Latent Space for Volumetric 4D Generation
Directly learning to model 4D content, including shape, color, and motion, is challenging. Existing methods rely on pose priors for motion control, resulting in limited motion diversity and continuity in details. To address this, we propose a framework that generates volumetric 4D sequences, where 3D shapes are animated under given conditions (text-image guidance) with dynamic evolution in shape and color across spatial and temporal dimensions, allowing for free navigation and rendering from any direction. We first use a coherent 3D shape and color modeling to encode the shape and color of each detailed 3D geometry frame into a latent space. Then we propose a matrixized 4D sequence representation allowing efficient diffusion model operation. Finally, we introduce spatio-temporal diffusion for 4D volumetric generation under given images and text prompts. Extensive experiments on the ShapeNet, 3DBiCar, DeformingThings4D and Objaverse datasets for several tasks demonstrate that our method effectively learns to generate high quality 3D shapes with consistent color and coherent mesh animations, improving over the current methods. Our code will be publicly available.
♻ ☆ T-SVG: Text-Driven Stereoscopic Video Generation
The advent of stereoscopic videos has opened new horizons in multimedia, particularly in extended reality (XR) and virtual reality (VR) applications, where immersive content captivates audiences across various platforms. Despite its growing popularity, producing stereoscopic videos remains challenging due to the technical complexities involved in generating stereo parallax. This refers to the positional differences of objects viewed from two distinct perspectives and is crucial for creating depth perception. This complex process poses significant challenges for creators aiming to deliver convincing and engaging presentations. To address these challenges, this paper introduces the Text-driven Stereoscopic Video Generation (T-SVG) system. This innovative, model-agnostic, zero-shot approach streamlines video generation by using text prompts to create reference videos. These videos are transformed into 3D point cloud sequences, which are rendered from two perspectives with subtle parallax differences, achieving a natural stereoscopic effect. T-SVG represents a significant advancement in stereoscopic content creation by integrating state-of-the-art, training-free techniques in text-to-video generation, depth estimation, and video inpainting. Its flexible architecture ensures high efficiency and user-friendliness, allowing seamless updates with newer models without retraining. By simplifying the production pipeline, T-SVG makes stereoscopic video generation accessible to a broader audience, demonstrating its potential to revolutionize the field.
comment: 5 pages, 4 figures
♻ ☆ Inherently Faithful Attention Maps for Vision Transformers
We introduce an attention-based method that uses learned binary attention masks to ensure that only attended image regions influence the prediction. Context can strongly affect object perception, sometimes leading to biased representations, particularly when objects appear in out-of-distribution backgrounds. At the same time, many image-level object-centric tasks require identifying relevant regions, often requiring context. To address this conundrum, we propose a two-stage framework: stage 1 processes the full image to discover object parts and identify task-relevant regions, while stage 2 leverages input attention masking to restrict its receptive field to these regions, enabling a focused analysis while filtering out potentially spurious information. Both stages are trained jointly, allowing stage 2 to refine stage 1. Extensive experiments across diverse benchmarks demonstrate that our approach significantly improves robustness against spurious correlations and out-of-distribution backgrounds. Code: https://github.com/ananthu-aniraj/ifam
Machine Learning 277
☆ Diagnosing and Improving Diffusion Models by Estimating the Optimal Loss Value
Diffusion models have achieved remarkable success in generative modeling. Despite more stable training, the loss of diffusion models is not indicative of absolute data-fitting quality, since its optimal value is typically not zero but unknown, leading to confusion between large optimal loss and insufficient model capacity. In this work, we advocate the need to estimate the optimal loss value for diagnosing and improving diffusion models. We first derive the optimal loss in closed form under a unified formulation of diffusion models, and develop effective estimators for it, including a stochastic variant scalable to large datasets with proper control of variance and bias. With this tool, we unlock the inherent metric for diagnosing the training quality of mainstream diffusion model variants, and develop a more performant training schedule based on the optimal loss. Moreover, using models with 120M to 1.5B parameters, we find that the power law is better demonstrated after subtracting the optimal loss from the actual training loss, suggesting a more principled setting for investigating the scaling law for diffusion models.
comment: 29 pages, 8 figures, 3 tables. Preprint. Work in Progress
☆ Discrete Diffusion in Large Language and Multimodal Models: A Survey
In this work, we provide a systematic survey of Discrete Diffusion Language Models (dLLMs) and Discrete Diffusion Multimodal Language Models (dMLLMs). Unlike autoregressive (AR) models, dLLMs and dMLLMs adopt a multi-token, parallel decoding paradigm using full attention and a denoising-based generation strategy. This paradigm naturally enables parallel generation, fine-grained output controllability, and dynamic, response-aware perception. These capabilities are previously difficult to achieve with AR models. Recently, a growing number of industrial-scale proprietary d(M)LLMs, as well as a large number of open-source academic d(M)LLMs, have demonstrated performance comparable to their autoregressive counterparts, while achieving up to 10x acceleration in inference speed. The advancement of discrete diffusion LLMs and MLLMs has been largely driven by progress in two domains. The first is the development of autoregressive LLMs and MLLMs, which has accumulated vast amounts of data, benchmarks, and foundational infrastructure for training and inference. The second contributing domain is the evolution of the mathematical models underlying discrete diffusion. Together, these advancements have catalyzed a surge in dLLMs and dMLLMs research in early 2025. In this work, we present a comprehensive overview of the research in the dLLM and dMLLM domains. We trace the historical development of dLLMs and dMLLMs, formalize the underlying mathematical frameworks, and categorize representative models. We further analyze key techniques for training and inference, and summarize emerging applications across language, vision-language, and biological domains. We conclude by discussing future directions for research and deployment. Paper collection: https://github.com/LiQiiiii/DLLM-Survey
☆ AI reconstruction of European weather from the Euro-Atlantic regimes
We present a non-linear AI-model designed to reconstruct monthly mean anomalies of the European temperature and precipitation based on the Euro-Atlantic Weather regimes (WR) indices. WR represent recurrent, quasi-stationary, and persistent states of the atmospheric circulation that exert considerable influence over the European weather, therefore offering an opportunity for sub-seasonal to seasonal forecasting. While much research has focused on studying the correlation and impacts of the WR on European weather, the estimation of ground-level climate variables, such as temperature and precipitation, from Euro-Atlantic WR remains largely unexplored and is currently limited to linear methods. The presented AI model can capture and introduce complex non-linearities in the relation between the WR indices, describing the state of the Euro-Atlantic atmospheric circulation and the corresponding surface temperature and precipitation anomalies in Europe. We discuss the AI-model performance in reconstructing the monthly mean two-meter temperature and total precipitation anomalies in the European winter and summer, also varying the number of WR used to describe the monthly atmospheric circulation. We assess the impact of errors on the WR indices in the reconstruction and show that a mean absolute relative error below 80% yields improved seasonal reconstruction compared to the ECMWF operational seasonal forecast system, SEAS5. As a demonstration of practical applicability, we evaluate the model using WR indices predicted by SEAS5, finding slightly better or comparable skill relative to the SEAS5 forecast itself. Our findings demonstrate that WR-based anomaly reconstruction, powered by AI tools, offers a promising pathway for sub-seasonal and seasonal forecasting.
☆ MARCO: Hardware-Aware Neural Architecture Search for Edge Devices with Multi-Agent Reinforcement Learning and Conformal Prediction Filtering
This paper introduces MARCO (Multi-Agent Reinforcement learning with Conformal Optimization), a novel hardware-aware framework for efficient neural architecture search (NAS) targeting resource-constrained edge devices. By significantly reducing search time and maintaining accuracy under strict hardware constraints, MARCO bridges the gap between automated DNN design and CAD for edge AI deployment. MARCO's core technical contribution lies in its unique combination of multi-agent reinforcement learning (MARL) with Conformal Prediction (CP) to accelerate the hardware/software co-design process for deploying deep neural networks. Unlike conventional once-for-all (OFA) supernet approaches that require extensive pretraining, MARCO decomposes the NAS task into a hardware configuration agent (HCA) and a Quantization Agent (QA). The HCA optimizes high-level design parameters, while the QA determines per-layer bit-widths under strict memory and latency budgets using a shared reward signal within a centralized-critic, decentralized-execution (CTDE) paradigm. A key innovation is the integration of a calibrated CP surrogate model that provides statistical guarantees (with a user-defined miscoverage rate) to prune unpromising candidate architectures before incurring the high costs of partial training or hardware simulation. This early filtering drastically reduces the search space while ensuring that high-quality designs are retained with a high probability. Extensive experiments on MNIST, CIFAR-10, and CIFAR-100 demonstrate that MARCO achieves a 3-4x reduction in total search time compared to an OFA baseline while maintaining near-baseline accuracy (within 0.3%). Furthermore, MARCO also reduces inference latency. Validation on a MAX78000 evaluation board confirms that simulator trends hold in practice, with simulator estimates deviating from measured values by less than 5%.
☆ VideoPDE: Unified Generative PDE Solving via Video Inpainting Diffusion Models NeurIPS 2025
We present a unified framework for solving partial differential equations (PDEs) using video-inpainting diffusion transformer models. Unlike existing methods that devise specialized strategies for either forward or inverse problems under full or partial observation, our approach unifies these tasks under a single, flexible generative framework. Specifically, we recast PDE-solving as a generalized inpainting problem, e.g., treating forward prediction as inferring missing spatiotemporal information of future states from initial conditions. To this end, we design a transformer-based architecture that conditions on arbitrary patterns of known data to infer missing values across time and space. Our method proposes pixel-space video diffusion models for fine-grained, high-fidelity inpainting and conditioning, while enhancing computational efficiency through hierarchical modeling. Extensive experiments show that our video inpainting-based diffusion model offers an accurate and versatile solution across a wide range of PDEs and problem setups, outperforming state-of-the-art baselines.
comment: Submitted to NeurIPS 2025. Project page: https://videopde.github.io/
☆ Evaluating Large Language Models for Phishing Detection, Self-Consistency, Faithfulness, and Explainability
Phishing attacks remain one of the most prevalent and persistent cybersecurity threat with attackers continuously evolving and intensifying tactics to evade the general detection system. Despite significant advances in artificial intelligence and machine learning, faithfully reproducing the interpretable reasoning with classification and explainability that underpin phishing judgments remains challenging. Due to recent advancement in Natural Language Processing, Large Language Models (LLMs) show a promising direction and potential for improving domain specific phishing classification tasks. However, enhancing the reliability and robustness of classification models requires not only accurate predictions from LLMs but also consistent and trustworthy explanations aligning with those predictions. Therefore, a key question remains: can LLMs not only classify phishing emails accurately but also generate explanations that are reliably aligned with their predictions and internally self-consistent? To answer these questions, we have fine-tuned transformer based models, including BERT, Llama models, and Wizard, to improve domain relevance and make them more tailored to phishing specific distinctions, using Binary Sequence Classification, Contrastive Learning (CL) and Direct Preference Optimization (DPO). To that end, we examined their performance in phishing classification and explainability by applying the ConsistenCy measure based on SHAPley values (CC SHAP), which measures prediction explanation token alignment to test the model's internal faithfulness and consistency and uncover the rationale behind its predictions and reasoning. Overall, our findings show that Llama models exhibit stronger prediction explanation token alignment with higher CC SHAP scores despite lacking reliable decision making accuracy, whereas Wizard achieves better prediction accuracy but lower CC SHAP scores.
☆ PB$^2$: Preference Space Exploration via Population-Based Methods in Preference-Based Reinforcement Learning
Preference-based reinforcement learning (PbRL) has emerged as a promising approach for learning behaviors from human feedback without predefined reward functions. However, current PbRL methods face a critical challenge in effectively exploring the preference space, often converging prematurely to suboptimal policies that satisfy only a narrow subset of human preferences. In this work, we identify and address this preference exploration problem through population-based methods. We demonstrate that maintaining a diverse population of agents enables more comprehensive exploration of the preference landscape compared to single-agent approaches. Crucially, this diversity improves reward model learning by generating preference queries with clearly distinguishable behaviors, a key factor in real-world scenarios where humans must easily differentiate between options to provide meaningful feedback. Our experiments reveal that current methods may fail by getting stuck in local optima, requiring excessive feedback, or degrading significantly when human evaluators make errors on similar trajectories, a realistic scenario often overlooked by methods relying on perfect oracle teachers. Our population-based approach demonstrates robust performance when teachers mislabel similar trajectory segments and shows significantly enhanced preference exploration capabilities,particularly in environments with complex reward landscapes.
☆ Instruction Following by Boosting Attention of Large Language Models
Controlling the generation of large language models (LLMs) remains a central challenge to ensure their safe and reliable deployment. While prompt engineering and finetuning are common approaches, recent work has explored latent steering, a lightweight technique that alters LLM internal activations to guide generation. However, subsequent studies revealed latent steering's effectiveness to be limited, often underperforming simple instruction prompting. To address this limitation, we first establish a benchmark across diverse behaviors for standardized evaluation of steering techniques. Building on insights from this benchmark, we introduce Instruction Attention Boosting (InstABoost), a latent steering method that boosts the strength of instruction prompting by altering the model's attention during generation. InstABoost combines the strengths of existing approaches and is theoretically supported by prior work that suggests that in-context rule following in transformer-based models can be controlled by manipulating attention on instructions. Empirically, InstABoost demonstrates superior control success compared to both traditional prompting and latent steering.
☆ Attribution-guided Pruning for Compression, Circuit Discovery, and Targeted Correction in LLMs
Large Language Models (LLMs) are central to many contemporary AI applications, yet their extensive parameter counts pose significant challenges for deployment in memory- and compute-constrained environments. Recent works in eXplainable AI (XAI), particularly on attribution methods, suggest that interpretability can also enable model compression by identifying and removing components irrelevant to inference. In this paper, we leverage Layer-wise Relevance Propagation (LRP) to perform attribution-guided pruning of LLMs. While LRP has shown promise in structured pruning for vision models, we extend it to unstructured pruning in LLMs and demonstrate that it can substantially reduce model size with minimal performance loss. Our method is especially effective in extracting task-relevant subgraphs -- so-called ``circuits'' -- which can represent core functions (e.g., indirect object identification). Building on this, we introduce a technique for model correction, by selectively removing circuits responsible for spurious behaviors (e.g., toxic outputs). All in all, we gather these techniques as a uniform holistic framework and showcase its effectiveness and limitations through extensive experiments for compression, circuit discovery and model correction on Llama and OPT models, highlighting its potential for improving both model efficiency and safety. Our code is publicly available at https://github.com/erfanhatefi/SparC3.
comment: Work in progress (10 pages manuscript, 3 pages references, 12 pages appendix)
☆ Weakest Link in the Chain: Security Vulnerabilities in Advanced Reasoning Models
The introduction of advanced reasoning capabilities have improved the problem-solving performance of large language models, particularly on math and coding benchmarks. However, it remains unclear whether these reasoning models are more or less vulnerable to adversarial prompt attacks than their non-reasoning counterparts. In this work, we present a systematic evaluation of weaknesses in advanced reasoning models compared to similar non-reasoning models across a diverse set of prompt-based attack categories. Using experimental data, we find that on average the reasoning-augmented models are \emph{slightly more robust} than non-reasoning models (42.51\% vs 45.53\% attack success rate, lower is better). However, this overall trend masks significant category-specific differences: for certain attack types the reasoning models are substantially \emph{more vulnerable} (e.g., up to 32 percentage points worse on a tree-of-attacks prompt), while for others they are markedly \emph{more robust} (e.g., 29.8 points better on cross-site scripting injection). Our findings highlight the nuanced security implications of advanced reasoning in language models and emphasize the importance of stress-testing safety across diverse adversarial techniques.
comment: Accepted to LLMSEC 2025
☆ Contrastive Self-Supervised Learning As Neural Manifold Packing
Contrastive self-supervised learning based on point-wise comparisons has been widely studied for vision tasks. In the visual cortex of the brain, neuronal responses to distinct stimulus classes are organized into geometric structures known as neural manifolds. Accurate classification of stimuli can be achieved by effectively separating these manifolds, akin to solving a packing problem. We introduce Contrastive Learning As Manifold Packing (CLAMP), a self-supervised framework that recasts representation learning as a manifold packing problem. CLAMP introduces a loss function inspired by the potential energy of short-range repulsive particle systems, such as those encountered in the physics of simple liquids and jammed packings. In this framework, each class consists of sub-manifolds embedding multiple augmented views of a single image. The sizes and positions of the sub-manifolds are dynamically optimized by following the gradient of a packing loss. This approach yields interpretable dynamics in the embedding space that parallel jamming physics, and introduces geometrically meaningful hyperparameters within the loss function. Under the standard linear evaluation protocol, which freezes the backbone and trains only a linear classifier, CLAMP achieves competitive performance with state-of-the-art self-supervised models. Furthermore, our analysis reveals that neural manifolds corresponding to different categories emerge naturally and are effectively separated in the learned representation space, highlighting the potential of CLAMP to bridge insights from physics, neural science, and machine learning.
☆ Sharpness-Aware Machine Unlearning
We characterize the effectiveness of Sharpness-aware minimization (SAM) under machine unlearning scheme, where unlearning forget signals interferes with learning retain signals. While previous work prove that SAM improves generalization with noise memorization prevention, we show that SAM abandons such denoising property when fitting the forget set, leading to various test error bounds depending on signal strength. We further characterize the signal surplus of SAM in the order of signal strength, which enables learning from less retain signals to maintain model performance and putting more weight on unlearning the forget set. Empirical studies show that SAM outperforms SGD with relaxed requirement for retain signals and can enhance various unlearning methods either as pretrain or unlearn algorithm. Observing that overfitting can benefit more stringent sample-specific unlearning, we propose Sharp MinMax, which splits the model into two to learn retain signals with SAM and unlearn forget signals with sharpness maximization, achieving best performance. Extensive experiments show that SAM enhances unlearning across varying difficulties measured by data memorization, yielding decreased feature entanglement between retain and forget sets, stronger resistance to membership inference attacks, and a flatter loss landscape.
☆ Understanding Learning Invariance in Deep Linear Networks
Equivariant and invariant machine learning models exploit symmetries and structural patterns in data to improve sample efficiency. While empirical studies suggest that data-driven methods such as regularization and data augmentation can perform comparably to explicitly invariant models, theoretical insights remain scarce. In this paper, we provide a theoretical comparison of three approaches for achieving invariance: data augmentation, regularization, and hard-wiring. We focus on mean squared error regression with deep linear networks, which parametrize rank-bounded linear maps and can be hard-wired to be invariant to specific group actions. We show that the critical points of the optimization problems for hard-wiring and data augmentation are identical, consisting solely of saddles and the global optimum. By contrast, regularization introduces additional critical points, though they remain saddles except for the global optimum. Moreover, we demonstrate that the regularization path is continuous and converges to the hard-wired solution.
☆ Understanding Lookahead Dynamics Through Laplace Transform
We introduce a frequency-domain framework for convergence analysis of hyperparameters in game optimization, leveraging High-Resolution Differential Equations (HRDEs) and Laplace transforms. Focusing on the Lookahead algorithm--characterized by gradient steps $k$ and averaging coefficient $\alpha$--we transform the discrete-time oscillatory dynamics of bilinear games into the frequency domain to derive precise convergence criteria. Our higher-precision $O(\gamma^2)$-HRDE models yield tighter criteria, while our first-order $O(\gamma)$-HRDE models offer practical guidance by prioritizing actionable hyperparameter tuning over complex closed-form solutions. Empirical validation in discrete-time settings demonstrates the effectiveness of our approach, which may further extend to locally linear operators, offering a scalable framework for selecting hyperparameters for learning in games.
☆ Gradient-Normalized Smoothness for Optimization with Approximate Hessians
In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.
☆ TimeMaster: Training Time-Series Multimodal LLMs to Reason via Reinforcement Learning
Time-series reasoning remains a significant challenge in multimodal large language models (MLLMs) due to the dynamic temporal patterns, ambiguous semantics, and lack of temporal priors. In this work, we introduce TimeMaster, a reinforcement learning (RL)-based method that enables time-series MLLMs to perform structured, interpretable reasoning directly over visualized time-series inputs and task prompts. TimeMaster adopts a three-part structured output format, reasoning, classification, and domain-specific extension, and is optimized via a composite reward function that aligns format adherence, prediction accuracy, and open-ended insight quality. The model is trained using a two-stage pipeline: we first apply supervised fine-tuning (SFT) to establish a good initialization, followed by Group Relative Policy Optimization (GRPO) at the token level to enable stable and targeted reward-driven improvement in time-series reasoning. We evaluate TimeMaster on the TimerBed benchmark across six real-world classification tasks based on Qwen2.5-VL-3B-Instruct. TimeMaster achieves state-of-the-art performance, outperforming both classical time-series models and few-shot GPT-4o by over 14.6% and 7.3% performance gain, respectively. Notably, TimeMaster goes beyond time-series classification: it also exhibits expert-like reasoning behavior, generates context-aware explanations, and delivers domain-aligned insights. Our results highlight that reward-driven RL can be a scalable and promising path toward integrating temporal understanding into time-series MLLMs.
comment: Preprint
☆ Value-Free Policy Optimization via Reward Partitioning
Single-trajectory reinforcement learning (RL) methods aim to optimize policies from datasets consisting of (prompt, response, reward) triplets, where scalar rewards are directly available. This supervision format is highly practical, as it mirrors real-world human feedback, such as thumbs-up/down signals, and avoids the need for structured preference annotations. In contrast, pairwise preference-based methods like Direct Preference Optimization (DPO) rely on datasets with both preferred and dispreferred responses, which are harder to construct and less natural to collect. Among single-trajectory approaches, Direct Reward Optimization (DRO) has shown strong empirical performance due to its simplicity and stability. However, DRO requires approximating a value function, which introduces several limitations: high off-policy variance, coupling between policy and value learning, and a lack of absolute supervision on the policy itself. We introduce Reward Partitioning Optimization (RPO), a new method that resolves these limitations by removing the need to model the value function. Instead, RPO normalizes observed rewards using a partitioning approach estimated directly from data. This leads to a straightforward supervised learning objective on the policy, with no auxiliary models and no joint optimization. RPO provides direct and stable supervision on the policy, making it robust and easy to implement in practice. We validate RPO on scalar-feedback language modeling tasks using Flan-T5 encoder-decoder models. Our results demonstrate that RPO outperforms existing single-trajectory baselines such as DRO and Kahneman-Tversky Optimization (KTO). These findings confirm that RPO is a simple, effective, and theoretically grounded method for single-trajectory policy optimization.
☆ Meta-learning how to Share Credit among Macro-Actions
One proposed mechanism to improve exploration in reinforcement learning is through the use of macro-actions. Paradoxically though, in many scenarios the naive addition of macro-actions does not lead to better exploration, but rather the opposite. It has been argued that this was caused by adding non-useful macros and multiple works have focused on mechanisms to discover effectively environment-specific useful macros. In this work, we take a slightly different perspective. We argue that the difficulty stems from the trade-offs between reducing the average number of decisions per episode versus increasing the size of the action space. Namely, one typically treats each potential macro-action as independent and atomic, hence strictly increasing the search space and making typical exploration strategies inefficient. To address this problem we propose a novel regularization term that exploits the relationship between actions and macro-actions to improve the credit assignment mechanism by reducing the effective dimension of the action space and, therefore, improving exploration. The term relies on a similarity matrix that is meta-learned jointly with learning the desired policy. We empirically validate our strategy looking at macro-actions in Atari games, and the StreetFighter II environment. Our results show significant improvements over the Rainbow-DQN baseline in all environments. Additionally, we show that the macro-action similarity is transferable to related environments. We believe this work is a small but important step towards understanding how the similarity-imposed geometry on the action space can be exploited to improve credit assignment and exploration, therefore making learning more effective.
☆ What Happens During the Loss Plateau? Understanding Abrupt Learning in Transformers
Training Transformers on algorithmic tasks frequently demonstrates an intriguing abrupt learning phenomenon: an extended performance plateau followed by a sudden, sharp improvement. This work investigates the underlying mechanisms for such dynamics, primarily in shallow Transformers. We reveal that during the plateau, the model often develops an interpretable partial solution while simultaneously exhibiting a strong repetition bias in their outputs. This output degeneracy is accompanied by internal representation collapse, where hidden states across different tokens become nearly parallel. We further identify the slow learning of optimal attention maps as a key bottleneck. Hidden progress in attention configuration during the plateau precedes the eventual rapid convergence, and directly intervening on attention significantly alters plateau duration and the severity of repetition bias and representational collapse. We validate that these identified phenomena-repetition bias and representation collapse-are not artifacts of toy setups but also manifest in the early pre-training stage of large language models like Pythia and OLMo.
☆ Enforcing tail calibration when training probabilistic forecast models
Probabilistic forecasts are typically obtained using state-of-the-art statistical and machine learning models, with model parameters estimated by optimizing a proper scoring rule over a set of training data. If the model class is not correctly specified, then the learned model will not necessarily issue forecasts that are calibrated. Calibrated forecasts allow users to appropriately balance risks in decision making, and it is particularly important that forecast models issue calibrated predictions for extreme events, since such outcomes often generate large socio-economic impacts. In this work, we study how the loss function used to train probabilistic forecast models can be adapted to improve the reliability of forecasts made for extreme events. We investigate loss functions based on weighted scoring rules, and additionally propose regularizing loss functions using a measure of tail miscalibration. We apply these approaches to a hierarchy of increasingly flexible forecast models for UK wind speeds, including simple parametric models, distributional regression networks, and conditional generative models. We demonstrate that state-of-the-art models do not issue calibrated forecasts for extreme wind speeds, and that the calibration of forecasts for extreme events can be improved by suitable adaptations to the loss function during model training. This, however, introduces a trade-off between calibrated forecasts for extreme events and calibrated forecasts for more common outcomes.
Turning Down the Heat: A Critical Analysis of Min-p Sampling in Language Models
Sampling from language models impacts the quality and diversity of outputs, affecting both research and real-world applications. Recently, Nguyen et al. 2024's "Turning Up the Heat: Min-p Sampling for Creative and Coherent LLM Outputs" introduced a new sampler called min-p, claiming it achieves superior quality and diversity over established samplers such as basic, top-k, and top-p sampling. The significance of these claims was underscored by the paper's recognition as the 18th highest-scoring submission to ICLR 2025 and selection for an Oral presentation. This paper conducts a comprehensive re-examination of the evidence supporting min-p and reaches different conclusions from the original paper's four lines of evidence. First, the original paper's human evaluations omitted data, conducted statistical tests incorrectly, and described qualitative feedback inaccurately; our reanalysis demonstrates min-p did not outperform baselines in quality, diversity, or a trade-off between quality and diversity; in response to our findings, the authors of the original paper conducted a new human evaluation using a different implementation, task, and rubric that nevertheless provides further evidence min-p does not improve over baselines. Second, comprehensively sweeping the original paper's NLP benchmarks reveals min-p does not surpass baselines when controlling for the number of hyperparameters. Third, the original paper's LLM-as-a-Judge evaluations lack methodological clarity and appear inconsistently reported. Fourth, community adoption claims (49k GitHub repositories, 1.1M GitHub stars) were found to be unsubstantiated, leading to their removal; the revised adoption claim remains misleading. We conclude that evidence presented in the original paper fails to support claims that min-p improves quality, diversity, or a trade-off between quality and diversity.
☆ Hybrid Meta-learners for Estimating Heterogeneous Treatment Effects
Estimating conditional average treatment effects (CATE) from observational data involves modeling decisions that differ from supervised learning, particularly concerning how to regularize model complexity. Previous approaches can be grouped into two primary "meta-learner" paradigms that impose distinct inductive biases. Indirect meta-learners first fit and regularize separate potential outcome (PO) models and then estimate CATE by taking their difference, whereas direct meta-learners construct and directly regularize estimators for the CATE function itself. Neither approach consistently outperforms the other across all scenarios: indirect learners perform well when the PO functions are simple, while direct learners outperform when the CATE is simpler than individual PO functions. In this paper, we introduce the Hybrid Learner (H-learner), a novel regularization strategy that interpolates between the direct and indirect regularizations depending on the dataset at hand. The H-learner achieves this by learning intermediate functions whose difference closely approximates the CATE without necessarily requiring accurate individual approximations of the POs themselves. We demonstrate empirically that intentionally allowing suboptimal fits to the POs improves the bias-variance tradeoff in estimating CATE. Experiments conducted on semi-synthetic and real-world benchmark datasets illustrate that the H-learner consistently operates at the Pareto frontier, effectively combining the strengths of both direct and indirect meta-learners.
☆ A Gravity-informed Spatiotemporal Transformer for Human Activity Intensity Prediction
Human activity intensity prediction is a crucial to many location-based services. Although tremendous progress has been made to model dynamic spatiotemporal patterns of human activity, most existing methods, including spatiotemporal graph neural networks (ST-GNNs), overlook physical constraints of spatial interactions and the over-smoothing phenomenon in spatial correlation modeling. To address these limitations, this work proposes a physics-informed deep learning framework, namely Gravity-informed Spatiotemporal Transformer (Gravityformer) by refining transformer attention to integrate the universal law of gravitation and explicitly incorporating constraints from spatial interactions. Specifically, it (1) estimates two spatially explicit mass parameters based on inflow and outflow, (2) models the likelihood of cross-unit interaction using closed-form solutions of spatial interactions to constrain spatial modeling randomness, and (3) utilizes the learned spatial interaction to guide and mitigate the over-smoothing phenomenon in transformer attention matrices. The underlying law of human activity can be explicitly modeled by the proposed adaptive gravity model. Moreover, a parallel spatiotemporal graph convolution transformer structure is proposed for achieving a balance between coupled spatial and temporal learning. Systematic experiments on six real-world large-scale activity datasets demonstrate the quantitative and qualitative superiority of our approach over state-of-the-art benchmarks. Additionally, the learned gravity attention matrix can be disentangled and interpreted based on geographical laws. This work provides a novel insight into integrating physical laws with deep learning for spatiotemporal predictive learning.
comment: 18 pages, 13 figures
☆ The Courage to Stop: Overcoming Sunk Cost Fallacy in Deep Reinforcement Learning ICML 2025
Off-policy deep reinforcement learning (RL) typically leverages replay buffers for reusing past experiences during learning. This can help improve sample efficiency when the collected data is informative and aligned with the learning objectives; when that is not the case, it can have the effect of "polluting" the replay buffer with data which can exacerbate optimization challenges in addition to wasting environment interactions due to wasteful sampling. We argue that sampling these uninformative and wasteful transitions can be avoided by addressing the sunk cost fallacy, which, in the context of deep RL, is the tendency towards continuing an episode until termination. To address this, we propose learn to stop (LEAST), a lightweight mechanism that enables strategic early episode termination based on Q-value and gradient statistics, which helps agents recognize when to terminate unproductive episodes early. We demonstrate that our method improves learning efficiency on a variety of RL algorithms, evaluated on both the MuJoCo and DeepMind Control Suite benchmarks.
comment: Proceedings of the 42nd International Conference on Machine Learning (ICML 2025)
☆ We Should Identify and Mitigate Third-Party Safety Risks in MCP-Powered Agent Systems
The development of large language models (LLMs) has entered in a experience-driven era, flagged by the emergence of environment feedback-driven learning via reinforcement learning and tool-using agents. This encourages the emergenece of model context protocol (MCP), which defines the standard on how should a LLM interact with external services, such as \api and data. However, as MCP becomes the de facto standard for LLM agent systems, it also introduces new safety risks. In particular, MCP introduces third-party services, which are not controlled by the LLM developers, into the agent systems. These third-party MCP services provider are potentially malicious and have the economic incentives to exploit vulnerabilities and sabotage user-agent interactions. In this position paper, we advocate the research community in LLM safety to pay close attention to the new safety risks issues introduced by MCP, and develop new techniques to build safe MCP-powered agent systems. To establish our position, we argue with three key parts. (1) We first construct \framework, a controlled framework to examine safety issues in MCP-powered agent systems. (2) We then conduct a series of pilot experiments to demonstrate the safety risks in MCP-powered agent systems is a real threat and its defense is not trivial. (3) Finally, we give our outlook by showing a roadmap to build safe MCP-powered agent systems. In particular, we would call for researchers to persue the following research directions: red teaming, MCP safe LLM development, MCP safety evaluation, MCP safety data accumulation, MCP service safeguard, and MCP safe ecosystem construction. We hope this position paper can raise the awareness of the research community in MCP safety and encourage more researchers to join this important research direction. Our code is available at https://github.com/littlelittlenine/SafeMCP.git.
☆ Adversarial Disentanglement by Backpropagation with Physics-Informed Variational Autoencoder
Inference and prediction under partial knowledge of a physical system is challenging, particularly when multiple confounding sources influence the measured response. Explicitly accounting for these influences in physics-based models is often infeasible due to epistemic uncertainty, cost, or time constraints, resulting in models that fail to accurately describe the behavior of the system. On the other hand, data-driven machine learning models such as variational autoencoders are not guaranteed to identify a parsimonious representation. As a result, they can suffer from poor generalization performance and reconstruction accuracy in the regime of limited and noisy data. We propose a physics-informed variational autoencoder architecture that combines the interpretability of physics-based models with the flexibility of data-driven models. To promote disentanglement of the known physics and confounding influences, the latent space is partitioned into physically meaningful variables that parametrize a physics-based model, and data-driven variables that capture variability in the domain and class of the physical system. The encoder is coupled with a decoder that integrates physics-based and data-driven components, and constrained by an adversarial training objective that prevents the data-driven components from overriding the known physics, ensuring that the physics-grounded latent variables remain interpretable. We demonstrate that the model is able to disentangle features of the input signal and separate the known physics from confounding influences using supervision in the form of class and domain observables. The model is evaluated on a series of synthetic case studies relevant to engineering structures, demonstrating the feasibility of the proposed approach.
☆ Lecture Video Visual Objects (LVVO) Dataset: A Benchmark for Visual Object Detection in Educational Videos
We introduce the Lecture Video Visual Objects (LVVO) dataset, a new benchmark for visual object detection in educational video content. The dataset consists of 4,000 frames extracted from 245 lecture videos spanning biology, computer science, and geosciences. A subset of 1,000 frames, referred to as LVVO_1k, has been manually annotated with bounding boxes for four visual categories: Table, Chart-Graph, Photographic-image, and Visual-illustration. Each frame was labeled independently by two annotators, resulting in an inter-annotator F1 score of 83.41%, indicating strong agreement. To ensure high-quality consensus annotations, a third expert reviewed and resolved all cases of disagreement through a conflict resolution process. To expand the dataset, a semi-supervised approach was employed to automatically annotate the remaining 3,000 frames, forming LVVO_3k. The complete dataset offers a valuable resource for developing and evaluating both supervised and semi-supervised methods for visual content detection in educational videos. The LVVO dataset is publicly available to support further research in this domain.
☆ PeakWeather: MeteoSwiss Weather Station Measurements for Spatiotemporal Deep Learning
Accurate weather forecasts are essential for supporting a wide range of activities and decision-making processes, as well as mitigating the impacts of adverse weather events. While traditional numerical weather prediction (NWP) remains the cornerstone of operational forecasting, machine learning is emerging as a powerful alternative for fast, flexible, and scalable predictions. We introduce PeakWeather, a high-quality dataset of surface weather observations collected every 10 minutes over more than 8 years from the ground stations of the Federal Office of Meteorology and Climatology MeteoSwiss's measurement network. The dataset includes a diverse set of meteorological variables from 302 station locations distributed across Switzerland's complex topography and is complemented with topographical indices derived from digital height models for context. Ensemble forecasts from the currently operational high-resolution NWP model are provided as a baseline forecast against which to evaluate new approaches. The dataset's richness supports a broad spectrum of spatiotemporal tasks, including time series forecasting at various scales, graph structure learning, imputation, and virtual sensing. As such, PeakWeather serves as a real-world benchmark to advance both foundational machine learning research, meteorology, and sensor-based applications.
xbench: Tracking Agents Productivity Scaling with Profession-Aligned Real-World Evaluations
We introduce xbench, a dynamic, profession-aligned evaluation suite designed to bridge the gap between AI agent capabilities and real-world productivity. While existing benchmarks often focus on isolated technical skills, they may not accurately reflect the economic value agents deliver in professional settings. To address this, xbench targets commercially significant domains with evaluation tasks defined by industry professionals. Our framework creates metrics that strongly correlate with productivity value, enables prediction of Technology-Market Fit (TMF), and facilitates tracking of product capabilities over time. As our initial implementations, we present two benchmarks: Recruitment and Marketing. For Recruitment, we collect 50 tasks from real-world headhunting business scenarios to evaluate agents' abilities in company mapping, information retrieval, and talent sourcing. For Marketing, we assess agents' ability to match influencers with advertiser needs, evaluating their performance across 50 advertiser requirements using a curated pool of 836 candidate influencers. We present initial evaluation results for leading contemporary agents, establishing a baseline for these professional domains. Our continuously updated evalsets and evaluations are available at https://xbench.org.
comment: Project page: https://xbench.org
☆ EUNIS Habitat Maps: Enhancing Thematic and Spatial Resolution for Europe through Machine Learning
The EUNIS habitat classification is crucial for categorising European habitats, supporting European policy on nature conservation and implementing the Nature Restoration Law. To meet the growing demand for detailed and accurate habitat information, we provide spatial predictions for 260 EUNIS habitat types at hierarchical level 3, together with independent validation and uncertainty analyses. Using ensemble machine learning models, together with high-resolution satellite imagery and ecologically meaningful climatic, topographic and edaphic variables, we produced a European habitat map indicating the most probable EUNIS habitat at 100-m resolution across Europe. Additionally, we provide information on prediction uncertainty and the most probable habitats at level 3 within each EUNIS level 1 formation. This product is particularly useful for both conservation and restoration purposes. Predictions were cross-validated at European scale using a spatial block cross-validation and evaluated against independent data from France (forests only), the Netherlands and Austria. The habitat maps obtained strong predictive performances on the validation datasets with distinct trade-offs in terms of recall and precision across habitat formations.
☆ Global Convergence of Adjoint-Optimized Neural PDEs
Many engineering and scientific fields have recently become interested in modeling terms in partial differential equations (PDEs) with neural networks. The resulting neural-network PDE model, being a function of the neural network parameters, can be calibrated to available data by optimizing over the PDE using gradient descent, where the gradient is evaluated in a computationally efficient manner by solving an adjoint PDE. These neural-network PDE models have emerged as an important research area in scientific machine learning. In this paper, we study the convergence of the adjoint gradient descent optimization method for training neural-network PDE models in the limit where both the number of hidden units and the training time tend to infinity. Specifically, for a general class of nonlinear parabolic PDEs with a neural network embedded in the source term, we prove convergence of the trained neural-network PDE solution to the target data (i.e., a global minimizer). The global convergence proof poses a unique mathematical challenge that is not encountered in finite-dimensional neural network convergence analyses due to (1) the neural network training dynamics involving a non-local neural network kernel operator in the infinite-width hidden layer limit where the kernel lacks a spectral gap for its eigenvalues and (2) the nonlinearity of the limit PDE system, which leads to a non-convex optimization problem, even in the infinite-width hidden layer limit (unlike in typical neual network training cases where the optimization problem becomes convex in the large neuron limit). The theoretical results are illustrated and empirically validated by numerical studies.
comment: 63 pages, 2 figures
☆ Graph-Convolution-Beta-VAE for Synthetic Abdominal Aorta Aneurysm Generation
Synthetic data generation plays a crucial role in medical research by mitigating privacy concerns and enabling large-scale patient data analysis. This study presents a beta-Variational Autoencoder Graph Convolutional Neural Network framework for generating synthetic Abdominal Aorta Aneurysms (AAA). Using a small real-world dataset, our approach extracts key anatomical features and captures complex statistical relationships within a compact disentangled latent space. To address data limitations, low-impact data augmentation based on Procrustes analysis was employed, preserving anatomical integrity. The generation strategies, both deterministic and stochastic, manage to enhance data diversity while ensuring realism. Compared to PCA-based approaches, our model performs more robustly on unseen data by capturing complex, nonlinear anatomical variations. This enables more comprehensive clinical and statistical analyses than the original dataset alone. The resulting synthetic AAA dataset preserves patient privacy while providing a scalable foundation for medical research, device testing, and computational modeling.
☆ Exploiting the Exact Denoising Posterior Score in Training-Free Guidance of Diffusion Models
The success of diffusion models has driven interest in performing conditional sampling via training-free guidance of the denoising process to solve image restoration and other inverse problems. A popular class of methods, based on Diffusion Posterior Sampling (DPS), attempts to approximate the intractable posterior score function directly. In this work, we present a novel expression for the exact posterior score for purely denoising tasks that is tractable in terms of the unconditional score function. We leverage this result to analyze the time-dependent error in the DPS score for denoising tasks and compute step sizes on the fly to minimize the error at each time step. We demonstrate that these step sizes are transferable to related inverse problems such as colorization, random inpainting, and super resolution. Despite its simplicity, this approach is competitive with state-of-the-art techniques and enables sampling with fewer time steps than DPS.
☆ Variational Inference with Mixtures of Isotropic Gaussians
Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. In this paper, we focus on the following parametric family: mixtures of isotropic Gaussians (i.e., with diagonal covariance matrices proportional to the identity) and uniform weights. We develop a variational framework and provide efficient algorithms suited for this family. In contrast with mixtures of Gaussian with generic covariance matrices, this choice presents a balance between accurate approximations of multimodal Bayesian posteriors, while being memory and computationally efficient. Our algorithms implement gradient descent on the location of the mixture components (the modes of the Gaussians), and either (an entropic) Mirror or Bures descent on their variance parameters. We illustrate the performance of our algorithms on numerical experiments.
☆ Assessing the Limits of In-Context Learning beyond Functions using Partially Ordered Relation
Generating rational and generally accurate responses to tasks, often accompanied by example demonstrations, highlights Large Language Model's (LLM's) remarkable In-Context Learning (ICL) capabilities without requiring updates to the model's parameter space. Despite having an ongoing exploration focused on the inference from a document-level concept, its behavior in learning well-defined functions or relations in context needs a careful investigation. In this article, we present the performance of ICL on partially ordered relation by introducing the notion of inductively increasing complexity in prompts. In most cases, the saturated performance of the chosen metric indicates that while ICL offers some benefits, its effectiveness remains constrained as we increase the complexity in the prompts even in presence of sufficient demonstrative examples. The behavior is evident from our empirical findings and has further been theoretically justified in term of its implicit optimization process. The code is available \href{https://anonymous.4open.science/r/ICLonPartiallyOrderSet}{here}.
☆ Calibrated Predictive Lower Bounds on Time-to-Unsafe-Sampling in LLMs
We develop a framework to quantify the time-to-unsafe-sampling - the number of large language model (LLM) generations required to trigger an unsafe (e.g., toxic) response. Estimating this quantity is challenging, since unsafe responses are exceedingly rare in well-aligned LLMs, potentially occurring only once in thousands of generations. As a result, directly estimating time-to-unsafe-sampling would require collecting training data with a prohibitively large number of generations per prompt. However, with realistic sampling budgets, we often cannot generate enough responses to observe an unsafe outcome for every prompt, leaving the time-to-unsafe-sampling unobserved in many cases, making the estimation and evaluation tasks particularly challenging. To address this, we frame this estimation problem as one of survival analysis and develop a provably calibrated lower predictive bound (LPB) on the time-to-unsafe-sampling of a given prompt, leveraging recent advances in conformal prediction. Our key innovation is designing an adaptive, per-prompt sampling strategy, formulated as a convex optimization problem. The objective function guiding this optimized sampling allocation is designed to reduce the variance of the estimators used to construct the LPB, leading to improved statistical efficiency over naive methods that use a fixed sampling budget per prompt. Experiments on both synthetic and real data support our theoretical results and demonstrate the practical utility of our method for safety risk assessment in generative AI models.
MiniMax-M1: Scaling Test-Time Compute Efficiently with Lightning Attention
We introduce MiniMax-M1, the world's first open-weight, large-scale hybrid-attention reasoning model. MiniMax-M1 is powered by a hybrid Mixture-of-Experts (MoE) architecture combined with a lightning attention mechanism. The model is developed based on our previous MiniMax-Text-01 model, which contains a total of 456 billion parameters with 45.9 billion parameters activated per token. The M1 model natively supports a context length of 1 million tokens, 8x the context size of DeepSeek R1. Furthermore, the lightning attention mechanism in MiniMax-M1 enables efficient scaling of test-time compute. These properties make M1 particularly suitable for complex tasks that require processing long inputs and thinking extensively. MiniMax-M1 is trained using large-scale reinforcement learning (RL) on diverse problems including sandbox-based, real-world software engineering environments. In addition to M1's inherent efficiency advantage for RL training, we propose CISPO, a novel RL algorithm to further enhance RL efficiency. CISPO clips importance sampling weights rather than token updates, outperforming other competitive RL variants. Combining hybrid-attention and CISPO enables MiniMax-M1's full RL training on 512 H800 GPUs to complete in only three weeks, with a rental cost of just $534,700. We release two versions of MiniMax-M1 models with 40K and 80K thinking budgets respectively, where the 40K model represents an intermediate phase of the 80K training. Experiments on standard benchmarks show that our models are comparable or superior to strong open-weight models such as the original DeepSeek-R1 and Qwen3-235B, with particular strengths in complex software engineering, tool utilization, and long-context tasks. We publicly release MiniMax-M1 at https://github.com/MiniMax-AI/MiniMax-M1.
comment: A technical report from MiniMax. The authors are listed in alphabetical order. We open-source our MiniMax-M1 at https://github.com/MiniMax-AI/MiniMax-M1
☆ From Data-Driven to Purpose-Driven Artificial Intelligence: Systems Thinking for Data-Analytic Automation of Patient Care
In this work, we reflect on the data-driven modeling paradigm that is gaining ground in AI-driven automation of patient care. We argue that the repurposing of existing real-world patient datasets for machine learning may not always represent an optimal approach to model development as it could lead to undesirable outcomes in patient care. We reflect on the history of data analysis to explain how the data-driven paradigm rose to popularity, and we envision ways in which systems thinking and clinical domain theory could complement the existing model development approaches in reaching human-centric outcomes. We call for a purpose-driven machine learning paradigm that is grounded in clinical theory and the sociotechnical realities of real-world operational contexts. We argue that understanding the utility of existing patient datasets requires looking in two directions: upstream towards the data generation, and downstream towards the automation objectives. This purpose-driven perspective to AI system development opens up new methodological opportunities and holds promise for AI automation of patient care.
comment: The work is under review at ACM Health
☆ Flexible-length Text Infilling for Discrete Diffusion Models
Discrete diffusion models are a new class of text generators that offer advantages such as bidirectional context use, parallelizable generation, and flexible prompting compared to autoregressive models. However, a critical limitation of discrete diffusion models is their inability to perform flexible-length or flexible-position text infilling without access to ground-truth positional data. We introduce \textbf{DDOT} (\textbf{D}iscrete \textbf{D}iffusion with \textbf{O}ptimal \textbf{T}ransport Position Coupling), the first discrete diffusion model to overcome this challenge. DDOT jointly denoises token values and token positions, employing a novel sample-level Optimal Transport (OT) coupling. This coupling preserves relative token ordering while dynamically adjusting the positions and length of infilled segments, a capability previously missing in text diffusion. Our method is orthogonal to existing discrete text diffusion methods and is compatible with various pretrained text denoisers. Extensive experiments on text infilling benchmarks such as One-Billion-Word and Yelp demonstrate that DDOT outperforms naive diffusion baselines. Furthermore, DDOT achieves performance on par with state-of-the-art non-autoregressive models and enables significant improvements in training efficiency and flexibility.
☆ Machine Learning-Driven Compensation for Non-Ideal Channels in AWG-Based FBG Interrogator
We present an experimental study of a fiber Bragg grating (FBG) interrogator based on a silicon oxynitride (SiON) photonic integrated arrayed waveguide grating (AWG). While AWG-based interrogators are compact and scalable, their practical performance is limited by non-ideal spectral responses. To address this, two calibration strategies within a 2.4 nm spectral region were compared: (1) a segmented analytical model based on a sigmoid fitting function, and (2) a machine learning (ML)-based regression model. The analytical method achieves a root mean square error (RMSE) of 7.11 pm within the calibrated range, while the ML approach based on exponential regression achieves 3.17 pm. Moreover, the ML model demonstrates generalization across an extended 2.9 nm wavelength span, maintaining sub-5 pm accuracy without re-fitting. Residual and error distribution analyses further illustrate the trade-offs between the two approaches. ML-based calibration provides a robust, data-driven alternative to analytical methods, delivering enhanced accuracy for non-ideal channel responses, reduced manual calibration effort, and improved scalability across diverse FBG sensor configurations.
comment: The manuscript has been submitted to IEEE Sensors Letters and is currently under peer review
☆ A Production Scheduling Framework for Reinforcement Learning Under Real-World Constraints
The classical Job Shop Scheduling Problem (JSSP) focuses on optimizing makespan under deterministic constraints. Real-world production environments introduce additional complexities that cause traditional scheduling approaches to be less effective. Reinforcement learning (RL) holds potential in addressing these challenges, as it allows agents to learn adaptive scheduling strategies. However, there is a lack of a comprehensive, general-purpose frameworks for effectively training and evaluating RL agents under real-world constraints. To address this gap, we propose a modular framework that extends classical JSSP formulations by incorporating key \mbox{real-world} constraints inherent to the shopfloor, including transport logistics, buffer management, machine breakdowns, setup times, and stochastic processing conditions, while also supporting multi-objective optimization. The framework is a customizable solution that offers flexibility in defining problem instances and configuring simulation parameters, enabling adaptation to diverse production scenarios. A standardized interface ensures compatibility with various RL approaches, providing a robust environment for training RL agents and facilitating the standardized comparison of different scheduling methods under dynamic and uncertain conditions. We release JobShopLab as an open-source tool for both research and industrial applications, accessible at: https://github.com/proto-lab-ro/jobshoplab
comment: This paper has been accepted for presentation at the IEEE 21st International Conference on Automation Science and Engineering (CASE 2025)
☆ Perfect Privacy for Discriminator-Based Byzantine-Resilient Federated Learning
Federated learning (FL) shows great promise in large-scale machine learning but introduces new privacy and security challenges. We propose ByITFL and LoByITFL, two novel FL schemes that enhance resilience against Byzantine users while keeping the users' data private from eavesdroppers. To ensure privacy and Byzantine resilience, our schemes build on having a small representative dataset available to the federator and crafting a discriminator function allowing the mitigation of corrupt users' contributions. ByITFL employs Lagrange coded computing and re-randomization, making it the first Byzantine-resilient FL scheme with perfect Information-Theoretic (IT) privacy, though at the cost of a significant communication overhead. LoByITFL, on the other hand, achieves Byzantine resilience and IT privacy at a significantly reduced communication cost, but requires a Trusted Third Party, used only in a one-time initialization phase before training. We provide theoretical guarantees on privacy and Byzantine resilience, along with convergence guarantees and experimental results validating our findings.
☆ Stability Analysis of Physics-Informed Neural Networks via Variational Coercivity, Perturbation Bounds, and Concentration Estimates
We develop a rigorous stability framework for Physics-Informed Neural Networks (PINNs) grounded in variational analysis, operator coercivity, and explicit perturbation theory. PINNs approximate solutions to partial differential equations (PDEs) by minimizing residual-based losses over sampled collocation points. We derive deterministic stability bounds that quantify how bounded perturbations in the network output propagate through both residual and supervised loss components. Probabilistic stability is established via McDiarmid's inequality, yielding non-asymptotic concentration bounds that link sampling variability to empirical loss fluctuations under minimal assumptions. Generalization from Sobolev-norm training loss to uniform approximation is analyzed using coercivity and Sobolev embeddings, leading to pointwise error control. The theoretical results apply to both scalar and vector-valued PDEs and cover composite loss formulations. Numerical experiments validate the perturbation sensitivity, sample complexity estimates, and Sobolev-to-uniform generalization bounds. This work provides a mathematically grounded and practically applicable stability framework for PINNs, clarifying the role of operator structure, sampling design, and functional regularity in robust training.
☆ Mixture of Weight-shared Heterogeneous Group Attention Experts for Dynamic Token-wise KV Optimization
Transformer models face scalability challenges in causal language modeling (CLM) due to inefficient memory allocation for growing key-value (KV) caches, which strains compute and storage resources. Existing methods like Grouped Query Attention (GQA) and token-level KV optimization improve efficiency but rely on rigid resource allocation, often discarding "low-priority" tokens or statically grouping them, failing to address the dynamic spectrum of token importance. We propose mixSGA, a novel mixture-of-expert (MoE) approach that dynamically optimizes token-wise computation and memory allocation. Unlike prior approaches, mixSGA retains all tokens while adaptively routing them to specialized experts with varying KV group sizes, balancing granularity and efficiency. Our key novelties include: (1) a token-wise expert-choice routing mechanism guided by learned importance scores, enabling proportional resource allocation without token discard; (2) weight-sharing across grouped attention projections to minimize parameter overhead; and (3) an auxiliary loss to ensure one-hot routing decisions for training-inference consistency in CLMs. Extensive evaluations across Llama3, TinyLlama, OPT, and Gemma2 model families show mixSGA's superiority over static baselines. On instruction-following and continued pretraining tasks, mixSGA achieves higher ROUGE-L and lower perplexity under the same KV budgets.
☆ What Matters in Learning from Large-Scale Datasets for Robot Manipulation
Imitation learning from large multi-task demonstration datasets has emerged as a promising path for building generally-capable robots. As a result, 1000s of hours have been spent on building such large-scale datasets around the globe. Despite the continuous growth of such efforts, we still lack a systematic understanding of what data should be collected to improve the utility of a robotics dataset and facilitate downstream policy learning. In this work, we conduct a large-scale dataset composition study to answer this question. We develop a data generation framework to procedurally emulate common sources of diversity in existing datasets (such as sensor placements and object types and arrangements), and use it to generate large-scale robot datasets with controlled compositions, enabling a suite of dataset composition studies that would be prohibitively expensive in the real world. We focus on two practical settings: (1) what types of diversity should be emphasized when future researchers collect large-scale datasets for robotics, and (2) how should current practitioners retrieve relevant demonstrations from existing datasets to maximize downstream policy performance on tasks of interest. Our study yields several critical insights -- for example, we find that camera poses and spatial arrangements are crucial dimensions for both diversity in collection and alignment in retrieval. In real-world robot learning settings, we find that not only do our insights from simulation carry over, but our retrieval strategies on existing datasets such as DROID allow us to consistently outperform existing training strategies by up to 70%. More results at https://robo-mimiclabs.github.io/
☆ Learning Augmented Graph $k$-Clustering
Clustering is a fundamental task in unsupervised learning. Previous research has focused on learning-augmented $k$-means in Euclidean metrics, limiting its applicability to complex data representations. In this paper, we generalize learning-augmented $k$-clustering to operate on general metrics, enabling its application to graph-structured and non-Euclidean domains. Our framework also relaxes restrictive cluster size constraints, providing greater flexibility for datasets with imbalanced or unknown cluster distributions. Furthermore, we extend the hardness of query complexity to general metrics: under the Exponential Time Hypothesis (ETH), we show that any polynomial-time algorithm must perform approximately $\Omega(k / \alpha)$ queries to achieve a $(1 + \alpha)$-approximation. These contributions strengthen both the theoretical foundations and practical applicability of learning-augmented clustering, bridging gaps between traditional methods and real-world challenges.
☆ Seismic Acoustic Impedance Inversion Framework Based on Conditional Latent Generative Diffusion Model
Seismic acoustic impedance plays a crucial role in lithological identification and subsurface structure interpretation. However, due to the inherently ill-posed nature of the inversion problem, directly estimating impedance from post-stack seismic data remains highly challenging. Recently, diffusion models have shown great potential in addressing such inverse problems due to their strong prior learning and generative capabilities. Nevertheless, most existing methods operate in the pixel domain and require multiple iterations, limiting their applicability to field data. To alleviate these limitations, we propose a novel seismic acoustic impedance inversion framework based on a conditional latent generative diffusion model, where the inversion process is made in latent space. To avoid introducing additional training overhead when embedding conditional inputs, we design a lightweight wavelet-based module into the framework to project seismic data and reuse an encoder trained on impedance to embed low-frequency impedance into the latent space. Furthermore, we propose a model-driven sampling strategy during the inversion process of this framework to enhance accuracy and reduce the number of required diffusion steps. Numerical experiments on a synthetic model demonstrate that the proposed method achieves high inversion accuracy and strong generalization capability within only a few diffusion steps. Moreover, application to field data reveals enhanced geological detail and higher consistency with well-log measurements, validating the effectiveness and practicality of the proposed approach.
comment: This work has been submitted to the IEEE for possible publication
☆ The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products ICML 2025
$E(3)$-equivariant neural networks have demonstrated success across a wide range of 3D modelling tasks. A fundamental operation in these networks is the tensor product, which interacts two geometric features in an equivariant manner to create new features. Due to the high computational complexity of the tensor product, significant effort has been invested to optimize the runtime of this operation. For example, Luo et al. (2024) recently proposed the Gaunt tensor product (GTP) which promises a significant speedup. In this work, we provide a careful, systematic analysis of a number of tensor product operations. In particular, we emphasize that different tensor products are not performing the same operation. The reported speedups typically come at the cost of expressivity. We introduce measures of expressivity and interactability to characterize these differences. In addition, we realized the original implementation of GTP can be greatly simplified by directly using a spherical grid at no cost in asymptotic runtime. This spherical grid approach is faster on our benchmarks and in actual training of the MACE interatomic potential by 30\%. Finally, we provide the first systematic microbenchmarks of the various tensor product operations. We find that the theoretical runtime guarantees can differ wildly from empirical performance, demonstrating the need for careful application-specific benchmarking. Code is available at \href{https://github.com/atomicarchitects/PriceofFreedom}{https://github.com/atomicarchitects/PriceofFreedom}
comment: 27 pages, 10 Figures, ICML 2025
☆ TensorSLM: Energy-efficient Embedding Compression of Sub-billion Parameter Language Models on Low-end Devices ICML 2025
Small Language Models (SLMs, or on-device LMs) have significantly fewer parameters than Large Language Models (LLMs). They are typically deployed on low-end devices, like mobile phones and single-board computers. Unlike LLMs, which rely on increasing model size for better generalisation, SLMs designed for edge applications are expected to have adaptivity to the deployment environments and energy efficiency given the device battery life constraints, which are not addressed in datacenter-deployed LLMs. This paper addresses these two requirements by proposing a training-free token embedding compression approach using Tensor-Train Decomposition (TTD). Each pre-trained token embedding vector is converted into a lower-dimensional Matrix Product State (MPS). We comprehensively evaluate the extracted low-rank structures across compression ratio, language task performance, latency, and energy consumption on a typical low-end device, i.e. Raspberry Pi. Taking the sub-billion parameter versions of GPT-2/Cerebres-GPT and OPT models as examples, our approach achieves a comparable language task performance to the original model with around $2.0\times$ embedding layer compression, while the energy consumption of a single query drops by half.
comment: ICML 2025 Workshop on Tiny Titans: The next wave of On-Device Learning for Foundational Models (TTODLer-FM)
☆ A Survey on Imitation Learning for Contact-Rich Tasks in Robotics
This paper comprehensively surveys research trends in imitation learning for contact-rich robotic tasks. Contact-rich tasks, which require complex physical interactions with the environment, represent a central challenge in robotics due to their nonlinear dynamics and sensitivity to small positional deviations. The paper examines demonstration collection methodologies, including teaching methods and sensory modalities crucial for capturing subtle interaction dynamics. We then analyze imitation learning approaches, highlighting their applications to contact-rich manipulation. Recent advances in multimodal learning and foundation models have significantly enhanced performance in complex contact tasks across industrial, household, and healthcare domains. Through systematic organization of current research and identification of challenges, this survey provides a foundation for future advancements in contact-rich robotic manipulation.
comment: 47pages, 1 figures
☆ Hierarchical Multi-Positive Contrastive Learning for Patent Image Retrieval
Patent images are technical drawings that convey information about a patent's innovation. Patent image retrieval systems aim to search in vast collections and retrieve the most relevant images. Despite recent advances in information retrieval, patent images still pose significant challenges due to their technical intricacies and complex semantic information, requiring efficient fine-tuning for domain adaptation. Current methods neglect patents' hierarchical relationships, such as those defined by the Locarno International Classification (LIC) system, which groups broad categories (e.g., "furnishing") into subclasses (e.g., "seats" and "beds") and further into specific patent designs. In this work, we introduce a hierarchical multi-positive contrastive loss that leverages the LIC's taxonomy to induce such relations in the retrieval process. Our approach assigns multiple positive pairs to each patent image within a batch, with varying similarity scores based on the hierarchical taxonomy. Our experimental analysis with various vision and multimodal models on the DeepPatent2 dataset shows that the proposed method enhances the retrieval results. Notably, our method is effective with low-parameter models, which require fewer computational resources and can be deployed on environments with limited hardware.
comment: 5 pages, 3 figures, Accepted as a short paper at the 6th Workshop on Patent Text Mining and Semantic Technologies (PatentSemTech 2025), co-located with SIGIR 2025
☆ Imaging at the quantum limit with convolutional neural networks
Deep neural networks have been shown to achieve exceptional performance for computer vision tasks like image recognition, segmentation, and reconstruction or denoising. Here, we evaluate the ultimate performance limits of deep convolutional neural network models for image reconstruction, by comparing them against the standard quantum limit set by shot-noise and the Heisenberg limit on precision. We train U-Net models on images of natural objects illuminated with coherent states of light, and find that the average mean-squared error of the reconstructions can surpass the standard quantum limit, and in some cases reaches the Heisenberg limit. Further, we train models on well-parameterized images for which we can calculate the quantum Cram\'er-Rao bound to determine the minimum possible measurable variance of an estimated parameter for a given probe state. We find the mean-squared error of the model predictions reaches these bounds calculated for the parameters, across a variety of parameterized images. These results suggest that deep convolutional neural networks can learn to become the optimal estimators allowed by the laws of physics, performing parameter estimation and image reconstruction at the ultimate possible limits of precision for the case of classical illumination of the object.
☆ Curriculum Learning for Biological Sequence Prediction: The Case of De Novo Peptide Sequencing
Peptide sequencing-the process of identifying amino acid sequences from mass spectrometry data-is a fundamental task in proteomics. Non-Autoregressive Transformers (NATs) have proven highly effective for this task, outperforming traditional methods. Unlike autoregressive models, which generate tokens sequentially, NATs predict all positions simultaneously, leveraging bidirectional context through unmasked self-attention. However, existing NAT approaches often rely on Connectionist Temporal Classification (CTC) loss, which presents significant optimization challenges due to CTC's complexity and increases the risk of training failures. To address these issues, we propose an improved non-autoregressive peptide sequencing model that incorporates a structured protein sequence curriculum learning strategy. This approach adjusts protein's learning difficulty based on the model's estimated protein generational capabilities through a sampling process, progressively learning peptide generation from simple to complex sequences. Additionally, we introduce a self-refining inference-time module that iteratively enhances predictions using learned NAT token embeddings, improving sequence accuracy at a fine-grained level. Our curriculum learning strategy reduces NAT training failures frequency by more than 90% based on sampled training over various data distributions. Evaluations on nine benchmark species demonstrate that our approach outperforms all previous methods across multiple metrics and species.
☆ Language Agents for Hypothesis-driven Clinical Decision Making with Reinforcement Learning
Clinical decision-making is a dynamic, interactive, and cyclic process where doctors have to repeatedly decide on which clinical action to perform and consider newly uncovered information for diagnosis and treatment. Large Language Models (LLMs) have the potential to support clinicians in this process, however, most applications of LLMs in clinical decision support suffer from one of two limitations: Either they assume the unrealistic scenario of immediate availability of all patient information and do not model the interactive and iterative investigation process, or they restrict themselves to the limited "out-of-the-box" capabilities of large pre-trained models without performing task-specific training. In contrast to this, we propose to model clinical decision-making for diagnosis with a hypothesis-driven uncertainty-aware language agent, LA-CDM, that converges towards a diagnosis via repeatedly requesting and interpreting relevant tests. Using a hybrid training paradigm combining supervised and reinforcement learning, we train LA-CDM with three objectives targeting critical aspects of clinical decision-making: accurate hypothesis generation, hypothesis uncertainty estimation, and efficient decision-making. We evaluate our methodology on MIMIC-CDM, a real-world dataset covering four abdominal diseases containing various clinical tests and show the benefit of explicitly training clinical decision-making for increasing diagnostic performance and efficiency.
☆ Balancing Intensity and Focality in Directional DBS Under Uncertainty: A Simulation Study of Electrode Optimization via a Metaheuristic L1L1 Approach
As DBS technology advances toward directional leads and optimization-based current steering, this study aims to improve the selection of electrode contact configurations using the recently developed L1-norm regularized L1-norm fitting (L1L1) method. The focus is in particular on L1L1's capability to incorporate a priori lead field uncertainty, offering a potential advantage over conventional approaches that do not account for such variability. Our optimization framework incorporates uncertainty by constraining the solution space based on lead field attenuation. This reflects physiological expectations about the VTA and serves to avoid overfitting. By applying this method to 8- and 40-contact electrode configurations, we optimize current distributions within a discretized finite element (FE) model, focusing on the lead field's characteristics. The model accounts for uncertainty through these explicit constraints, enhancing the feasibility, focality, and robustness of the resulting solutions. The L1L1 method was validated through a series of numerical experiments using both noiseless and noisy lead fields, where the noise level was selected to reflect attenuation within VTA. It successfully fits and regularizes the current distribution across target structures, with hyperparameter optimization extracting either bipolar or multipolar electrode configurations. These configurations aim to maximize focused current density or prioritize a high gain field ratio in a discretized FE model. Compared to traditional methods, the L1L1 approach showed competitive performance in concentrating stimulation within the target region while minimizing unintended current spread, particularly under noisy conditions. By incorporating uncertainty directly into the optimization process, we obtain a noise-robust framework for current steering, allowing for variations in lead field models and simulation parameters.
☆ Spiking Neural Networks for Low-Power Vibration-Based Predictive Maintenance
Advancements in Industrial Internet of Things (IIoT) sensors enable sophisticated Predictive Maintenance (PM) with high temporal resolution. For cost-efficient solutions, vibration-based condition monitoring is especially of interest. However, analyzing high-resolution vibration data via traditional cloud approaches incurs significant energy and communication costs, hindering battery-powered edge deployments. This necessitates shifting intelligence to the sensor edge. Due to their event-driven nature, Spiking Neural Networks (SNNs) offer a promising pathway toward energy-efficient on-device processing. This paper investigates a recurrent SNN for simultaneous regression (flow, pressure, pump speed) and multi-label classification (normal, overpressure, cavitation) for an industrial progressing cavity pump (PCP) using 3-axis vibration data. Furthermore, we provide energy consumption estimates comparing the SNN approach on conventional (x86, ARM) and neuromorphic (Loihi) hardware platforms. Results demonstrate high classification accuracy (>97%) with zero False Negative Rates for critical Overpressure and Cavitation faults. Smoothed regression outputs achieve Mean Relative Percentage Errors below 1% for flow and pump speed, approaching industrial sensor standards, although pressure prediction requires further refinement. Energy estimates indicate significant power savings, with the Loihi consumption (0.0032 J/inf) being up to 3 orders of magnitude less compared to the estimated x86 CPU (11.3 J/inf) and ARM CPU (1.18 J/inf) execution. Our findings underscore the potential of SNNs for multi-task PM directly on resource-constrained edge devices, enabling scalable and energy-efficient industrial monitoring solutions.
comment: This paper has been accepted and will be presented at the International Conference on Neuromorphic Systems (ICONS) 2025, July 29-31, 2025. The proceedings will be published later
☆ Training Neural Networks by Optimizing Neuron Positions
The high computational complexity and increasing parameter counts of deep neural networks pose significant challenges for deployment in resource-constrained environments, such as edge devices or real-time systems. To address this, we propose a parameter-efficient neural architecture where neurons are embedded in Euclidean space. During training, their positions are optimized and synaptic weights are determined as the inverse of the spatial distance between connected neurons. These distance-dependent wiring rules replace traditional learnable weight matrices and significantly reduce the number of parameters while introducing a biologically inspired inductive bias: connection strength decreases with spatial distance, reflecting the brain's embedding in three-dimensional space where connections tend to minimize wiring length. We validate this approach for both multi-layer perceptrons and spiking neural networks. Through a series of experiments, we demonstrate that these spatially embedded neural networks achieve a performance competitive with conventional architectures on the MNIST dataset. Additionally, the models maintain performance even at pruning rates exceeding 80% sparsity, outperforming traditional networks with the same number of parameters under similar conditions. Finally, the spatial embedding framework offers an intuitive visualization of the network structure.
comment: This paper has been accepted and will be presented at the 14th International Conference on Biomimetic and Biohybrid Systems (Living Machines 2025), July 15-18, 2025, Sheffield, UK. The proceedings will be published later
☆ HELENA: High-Efficiency Learning-based channel Estimation using dual Neural Attention
Accurate channel estimation is critical for high-performance Orthogonal Frequency-Division Multiplexing systems such as 5G New Radio, particularly under low signal-to-noise ratio and stringent latency constraints. This letter presents HELENA, a compact deep learning model that combines a lightweight convolutional backbone with two efficient attention mechanisms: patch-wise multi-head self-attention for capturing global dependencies and a squeeze-and-excitation block for local feature refinement. Compared to CEViT, a state-of-the-art vision transformer-based estimator, HELENA reduces inference time by 45.0\% (0.175\,ms vs.\ 0.318\,ms), achieves comparable accuracy ($-16.78$\,dB vs.\ $-17.30$\,dB), and requires $8\times$ fewer parameters (0.11M vs.\ 0.88M), demonstrating its suitability for low-latency, real-time deployment.
☆ CALM: Consensus-Aware Localized Merging for Multi-Task Learning ICML2025
Model merging aims to integrate the strengths of multiple fine-tuned models into a unified model while preserving task-specific capabilities. Existing methods, represented by task arithmetic, are typically classified into global- and local-aware methods. However, global-aware methods inevitably cause parameter interference, while local-aware methods struggle to maintain the effectiveness of task-specific details in the merged model. To address these limitations, we propose a Consensus-Aware Localized Merging (CALM) method which incorporates localized information aligned with global task consensus, ensuring its effectiveness post-merging. CALM consists of three key components: (1) class-balanced entropy minimization sampling, providing a more flexible and reliable way to leverage unsupervised data; (2) an efficient-aware framework, selecting a small set of tasks for sequential merging with high scalability; (3) a consensus-aware mask optimization, aligning localized binary masks with global task consensus and merging them conflict-free. Experiments demonstrate the superiority and robustness of our CALM, significantly outperforming existing methods and achieving performance close to traditional MTL.
comment: Accepted by ICML2025
☆ Realtime-Capable Hybrid Spiking Neural Networks for Neural Decoding of Cortical Activity
Intra-cortical brain-machine interfaces (iBMIs) present a promising solution to restoring and decoding brain activity lost due to injury. However, patients with such neuroprosthetics suffer from permanent skull openings resulting from the devices' bulky wiring. This drives the development of wireless iBMIs, which demand low power consumption and small device footprint. Most recently, spiking neural networks (SNNs) have been researched as potential candidates for low-power neural decoding. In this work, we present the next step of utilizing SNNs for such tasks, building on the recently published results of the 2024 Grand Challenge on Neural Decoding Challenge for Motor Control of non-Human Primates. We optimize our model architecture to exceed the existing state of the art on the Primate Reaching dataset while maintaining similar resource demand through various compression techniques. We further focus on implementing a realtime-capable version of the model and discuss the implications of this architecture. With this, we advance one step towards latency-free decoding of cortical spike trains using neuromorphic technology, ultimately improving the lives of millions of paralyzed patients.
comment: This paper was accepted and presented at the 2025 Neuro Inspired Computational Elements (NICE) conference
☆ Experimental Design for Semiparametric Bandits
We study finite-armed semiparametric bandits, where each arm's reward combines a linear component with an unknown, potentially adversarial shift. This model strictly generalizes classical linear bandits and reflects complexities common in practice. We propose the first experimental-design approach that simultaneously offers a sharp regret bound, a PAC bound, and a best-arm identification guarantee. Our method attains the minimax regret $\tilde{O}(\sqrt{dT})$, matching the known lower bound for finite-armed linear bandits, and further achieves logarithmic regret under a positive suboptimality gap condition. These guarantees follow from our refined non-asymptotic analysis of orthogonalized regression that attains the optimal $\sqrt{d}$ rate, paving the way for robust and efficient learning across a broad class of semiparametric bandit problems.
comment: Accepted at COLT 2025
☆ Decompositional Reasoning for Graph Retrieval with Large Language Models
Large Language Models (LLMs) excel at many NLP tasks, but struggle with multi-hop reasoning and factual consistency, limiting their effectiveness on knowledge-intensive tasks like complex question answering (QA). Linking Knowledge Graphs (KG) and LLMs has shown promising results, but LLMs generally lack the ability to reason efficiently over graph-structured information. To tackle this problem, we propose a novel retrieval approach that integrates textual knowledge graphs into the LLM reasoning process via query decomposition. Our method decomposes complex questions into sub-questions, retrieves relevant textual subgraphs, and composes a question-specific knowledge graph to guide answer generation. For that, we use a weighted similarity function that focuses on both the complex question and the generated subquestions to extract a relevant subgraph, which allows efficient and precise retrieval for complex questions and improves the performance of LLMs on multi-hop QA tasks. This structured reasoning pipeline enhances factual grounding and interpretability while leveraging the generative strengths of LLMs. We evaluate our method on standard multi-hop QA benchmarks and show that it achieves comparable or superior performance to competitive existing methods, using smaller models and fewer LLM calls.
☆ Mitigating loss of variance in ensemble data assimilation: machine learning-based and distance-free localizations for better covariance estimation
We propose two new methods based/inspired by machine learning for tabular data and distance-free localization to enhance the covariance estimations in an ensemble data assimilation. The main goal is to enhance the data assimilation results by mitigating loss of variance due to sampling errors. We also analyze the suitability of several machine learning models and the balance between accuracy and computational cost of the covariance estimations. We introduce two distance-free localization techniques leveraging machine learning methods specifically tailored for tabular data. The methods are integrated into the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) framework. The results show that the proposed localizations improve covariance accuracy and enhance data assimilation and uncertainty quantification results. We observe reduced variance loss for the input variables using the proposed methods. Furthermore, we compare several machine learning models, assessing their suitability for the problem in terms of computational cost, and quality of the covariance estimation and data match. The influence of ensemble size is also investigated, providing insights into balancing accuracy and computational efficiency. Our findings demonstrate that certain machine learning models are more suitable for this problem. This study introduces two novel methods that mitigate variance loss for model parameters in ensemble-based data assimilation, offering practical solutions that are easy to implement and do not require any additional numerical simulation or hyperparameter tuning.
☆ Socratic RL: A Novel Framework for Efficient Knowledge Acquisition through Iterative Reflection and Viewpoint Distillation
Current Reinforcement Learning (RL) methodologies for Large Language Models (LLMs) often rely on simplistic, outcome-based reward signals (e.g., final answer correctness), which limits the depth of learning from each interaction. This paper introduces Socratic Reinforcement Learning (Socratic-RL), a novel, process-oriented framework designed to address this limitation. Socratic-RL operates on the principle that deeper understanding is achieved by reflecting on the causal reasons for errors and successes within the reasoning process itself. The framework employs a decoupled "Teacher-Student" architecture, where a "Teacher AI" analyzes interaction histories, extracts causal insights, and formulates them into structured "viewpoints." These viewpoints, acting as distilled guidance, are then used by a "Student AI" to enhance its subsequent reasoning. A key innovation is the iterative self-improvement of the Teacher AI, enabling its reflective capabilities to evolve through a meta-learning loop. To manage the accumulation of knowledge, a distillation mechanism compresses learned viewpoints into the Student's parameters. By focusing on process rather than just outcome, Socratic-RL presents a pathway toward enhanced sample efficiency, superior interpretability, and a more scalable architecture for self-improving AI systems. This paper details the foundational concepts, formal mechanisms, synergies, challenges, and a concrete research roadmap for this proposed framework.
☆ Direct Reasoning Optimization: LLMs Can Reward And Refine Their Own Reasoning for Open-Ended Tasks
Recent advances in Large Language Models (LLMs) have showcased impressive reasoning abilities in structured tasks like mathematics and programming, largely driven by Reinforcement Learning with Verifiable Rewards (RLVR), which uses outcome-based signals that are scalable, effective, and robust against reward hacking. However, applying similar techniques to open-ended long-form reasoning tasks remains challenging due to the absence of generic, verifiable reward signals. To address this, we propose Direct Reasoning Optimization (DRO), a reinforcement learning framework for fine-tuning LLMs on open-ended, particularly long-form, reasoning tasks, guided by a new reward signal: the Reasoning Reflection Reward (R3). At its core, R3 selectively identifies and emphasizes key tokens in the reference outcome that reflect the influence of the model's preceding chain-of-thought reasoning, thereby capturing the consistency between reasoning and reference outcome at a fine-grained level. Crucially, R3 is computed internally using the same model being optimized, enabling a fully self-contained training setup. Additionally, we introduce a dynamic data filtering strategy based on R3 for open-ended reasoning tasks, reducing cost while improving downstream performance. We evaluate DRO on two diverse datasets -- ParaRev, a long-form paragraph revision task, and FinQA, a math-oriented QA benchmark -- and show that it consistently outperforms strong baselines while remaining broadly applicable across both open-ended and structured domains.
☆ Learning to Explore in Diverse Reward Settings via Temporal-Difference-Error Maximization
Numerous heuristics and advanced approaches have been proposed for exploration in different settings for deep reinforcement learning. Noise-based exploration generally fares well with dense-shaped rewards and bonus-based exploration with sparse rewards. However, these methods usually require additional tuning to deal with undesirable reward settings by adjusting hyperparameters and noise distributions. Rewards that actively discourage exploration, i.e., with an action cost and no other dense signal to follow, can pose a major challenge. We propose a novel exploration method, Stable Error-seeking Exploration (SEE), that is robust across dense, sparse, and exploration-adverse reward settings. To this endeavor, we revisit the idea of maximizing the TD-error as a separate objective. Our method introduces three design choices to mitigate instability caused by far-off-policy learning, the conflict of interest of maximizing the cumulative TD-error in an episodic setting, and the non-stationary nature of TD-errors. SEE can be combined with off-policy algorithms without modifying the optimization pipeline of the original objective. In our experimental analysis, we show that a Soft-Actor Critic agent with the addition of SEE performs robustly across three diverse reward settings in a variety of tasks without hyperparameter adjustments.
comment: Accepted at RLC 2025, to be published in RLJ
☆ LapDDPM: A Conditional Graph Diffusion Model for scRNA-seq Generation with Spectral Adversarial Perturbations ICML 2025
Generating high-fidelity and biologically plausible synthetic single-cell RNA sequencing (scRNA-seq) data, especially with conditional control, is challenging due to its high dimensionality, sparsity, and complex biological variations. Existing generative models often struggle to capture these unique characteristics and ensure robustness to structural noise in cellular networks. We introduce LapDDPM, a novel conditional Graph Diffusion Probabilistic Model for robust and high-fidelity scRNA-seq generation. LapDDPM uniquely integrates graph-based representations with a score-based diffusion model, enhanced by a novel spectral adversarial perturbation mechanism on graph edge weights. Our contributions are threefold: we leverage Laplacian Positional Encodings (LPEs) to enrich the latent space with crucial cellular relationship information; we develop a conditional score-based diffusion model for effective learning and generation from complex scRNA-seq distributions; and we employ a unique spectral adversarial training scheme on graph edge weights, boosting robustness against structural variations. Extensive experiments on diverse scRNA-seq datasets demonstrate LapDDPM's superior performance, achieving high fidelity and generating biologically-plausible, cell-type-specific samples. LapDDPM sets a new benchmark for conditional scRNA-seq data generation, offering a robust tool for various downstream biological applications.
comment: LapDDPM is a novel conditional graph diffusion model for scRNA-seq generation. Leveraging spectral adversarial perturbations, it ensures robustness and yields high-fidelity, biologically plausible, and cell-type-specific samples for complex data. Proceedings of the ICML 2025 GenBio Workshop: The 2nd Workshop on Generative AI and Biology, Vancouver, Canada, 2025
☆ Verifying the Verifiers: Unveiling Pitfalls and Potentials in Fact Verifiers
Fact verification is essential for ensuring the reliability of LLM applications. In this study, we evaluate 12 pre-trained LLMs and one specialized fact-verifier, including frontier LLMs and open-weight reasoning LLMs, using a collection of examples from 14 fact-checking benchmarks. We share three findings intended to guide future development of more robust fact verifiers. First, we highlight the importance of addressing annotation errors and ambiguity in datasets, demonstrating that approximately 16\% of ambiguous or incorrectly labeled data substantially influences model rankings. Neglecting this issue may result in misleading conclusions during comparative evaluations, and we suggest using a systematic pipeline utilizing LLM-as-a-judge to help identify these issues at scale. Second, we discover that frontier LLMs with few-shot in-context examples, often overlooked in previous works, achieve top-tier performance. We therefore recommend future studies include comparisons with these simple yet highly effective baselines. Lastly, despite their effectiveness, frontier LLMs incur substantial costs, motivating the development of small, fine-tuned fact verifiers. We show that these small models still have room for improvement, particularly on instances that require complex reasoning. Encouragingly, we demonstrate that augmenting training with synthetic multi-hop reasoning data significantly enhances their capabilities in such instances. We release our code, model, and dataset at https://github.com/just1nseo/verifying-the-verifiers
☆ Mixture of Cognitive Reasoners: Modular Reasoning with Brain-Like Specialization
Human intelligence emerges from the interaction of specialized brain networks, each dedicated to distinct cognitive functions such as language processing, logical reasoning, social understanding, and memory retrieval. Inspired by this biological observation, we introduce the Mixture of Cognitive Reasoners (MiCRo) architecture and training paradigm: a modular transformer-based language model with a training curriculum that encourages the emergence of functional specialization among different modules. Inspired by studies in neuroscience, we partition the layers of a pretrained transformer model into four expert modules, each corresponding to a well-studied cognitive brain network. Our Brain-Like model has three key benefits over the state of the art: First, the specialized experts are highly interpretable and functionally critical, where removing a module significantly impairs performance on domain-relevant benchmarks. Second, our model outperforms comparable baselines that lack specialization on seven reasoning benchmarks. And third, the model's behavior can be steered at inference time by selectively emphasizing certain expert modules (e.g., favoring social over logical reasoning), enabling fine-grained control over the style of its response. Our findings suggest that biologically inspired inductive biases involved in human cognition lead to significant modeling gains in interpretability, performance, and controllability.
comment: Preprint. Code, data, and models available at $\href{https://bkhmsi.github.io/mixture-of-cog-reasoners}{\text{this https URL.}}$
☆ Tady: A Neural Disassembler without Structural Constraint Violations
Disassembly is a crucial yet challenging step in binary analysis. While emerging neural disassemblers show promise for efficiency and accuracy, they frequently generate outputs violating fundamental structural constraints, which significantly compromise their practical usability. To address this critical problem, we regularize the disassembly solution space by formalizing and applying key structural constraints based on post-dominance relations. This approach systematically detects widespread errors in existing neural disassemblers' outputs. These errors often originate from models' limited context modeling and instruction-level decoding that neglect global structural integrity. We introduce Tady, a novel neural disassembler featuring an improved model architecture and a dedicated post-processing algorithm, specifically engineered to address these deficiencies. Comprehensive evaluations on diverse binaries demonstrate that Tady effectively eliminates structural constraint violations and functions with high efficiency, while maintaining instruction-level accuracy.
comment: Usenix Security'25
☆ Action Dubber: Timing Audible Actions via Inflectional Flow ICML2025
We introduce the task of Audible Action Temporal Localization, which aims to identify the spatio-temporal coordinates of audible movements. Unlike conventional tasks such as action recognition and temporal action localization, which broadly analyze video content, our task focuses on the distinct kinematic dynamics of audible actions. It is based on the premise that key actions are driven by inflectional movements; for example, collisions that produce sound often involve abrupt changes in motion. To capture this, we propose $TA^{2}Net$, a novel architecture that estimates inflectional flow using the second derivative of motion to determine collision timings without relying on audio input. $TA^{2}Net$ also integrates a self-supervised spatial localization strategy during training, combining contrastive learning with spatial analysis. This dual design improves temporal localization accuracy and simultaneously identifies sound sources within video frames. To support this task, we introduce a new benchmark dataset, $Audible623$, derived from Kinetics and UCF101 by removing non-essential vocalization subsets. Extensive experiments confirm the effectiveness of our approach on $Audible623$ and show strong generalizability to other domains, such as repetitive counting and sound source localization. Code and dataset are available at https://github.com/WenlongWan/Audible623.
comment: Accepted by ICML2025
☆ Vine Copulas as Differentiable Computational Graphs
Vine copulas are sophisticated models for multivariate distributions and are increasingly used in machine learning. To facilitate their integration into modern ML pipelines, we introduce the vine computational graph, a DAG that abstracts the multilevel vine structure and associated computations. On this foundation, we devise new algorithms for conditional sampling, efficient sampling-order scheduling, and constructing vine structures for customized conditioning variables. We implement these ideas in torchvinecopulib, a GPU-accelerated Python library built upon PyTorch, delivering improved scalability for fitting, sampling, and density evaluation. Our experiments illustrate how gradient flowing through the vine can improve Vine Copula Autoencoders and that incorporating vines for uncertainty quantification in deep learning can outperform MC-dropout, deep ensembles, and Bayesian Neural Networks in sharpness, calibration, and runtime. By recasting vine copula models as computational graphs, our work connects classical dependence modeling with modern deep-learning toolchains and facilitates the integration of state-of-the-art copula methods in modern machine learning pipelines.
☆ The impact of uncertainty on regularized learning in games
In this paper, we investigate how randomness and uncertainty influence learning in games. Specifically, we examine a perturbed variant of the dynamics of "follow-the-regularized-leader" (FTRL), where the players' payoff observations and strategy updates are continually impacted by random shocks. Our findings reveal that, in a fairly precise sense, "uncertainty favors extremes": in any game, regardless of the noise level, every player's trajectory of play reaches an arbitrarily small neighborhood of a pure strategy in finite time (which we estimate). Moreover, even if the player does not ultimately settle at this strategy, they return arbitrarily close to some (possibly different) pure strategy infinitely often. This prompts the question of which sets of pure strategies emerge as robust predictions of learning under uncertainty. We show that (a) the only possible limits of the FTRL dynamics under uncertainty are pure Nash equilibria; and (b) a span of pure strategies is stable and attracting if and only if it is closed under better replies. Finally, we turn to games where the deterministic dynamics are recurrent - such as zero-sum games with interior equilibria - and we show that randomness disrupts this behavior, causing the stochastic dynamics to drift toward the boundary on average.
comment: 50 pages, 6 figures
☆ AceReason-Nemotron 1.1: Advancing Math and Code Reasoning through SFT and RL Synergy
In this work, we investigate the synergy between supervised fine-tuning (SFT) and reinforcement learning (RL) in developing strong reasoning models. We begin by curating the SFT training data through two scaling strategies: increasing the number of collected prompts and the number of generated responses per prompt. Both approaches yield notable improvements in reasoning performance, with scaling the number of prompts resulting in more substantial gains. We then explore the following questions regarding the synergy between SFT and RL: (i) Does a stronger SFT model consistently lead to better final performance after large-scale RL training? (ii) How can we determine an appropriate sampling temperature during RL training to effectively balance exploration and exploitation for a given SFT initialization? Our findings suggest that (i) holds true, provided effective RL training is conducted, particularly when the sampling temperature is carefully chosen to maintain the temperature-adjusted entropy around 0.3, a setting that strikes a good balance between exploration and exploitation. Notably, the performance gap between initial SFT models narrows significantly throughout the RL process. Leveraging a strong SFT foundation and insights into the synergistic interplay between SFT and RL, our AceReason-Nemotron-1.1 7B model significantly outperforms AceReason-Nemotron-1.0 and achieves new state-of-the-art performance among Qwen2.5-7B-based reasoning models on challenging math and code benchmarks, thereby demonstrating the effectiveness of our post-training recipe. We release the model and data at: https://huggingface.co/nvidia/AceReason-Nemotron-1.1-7B
comment: The AceReason-Nemotron collection: https://huggingface.co/collections/nvidia/acereason-682f4e1261dc22f697fd1485
☆ SeqPE: Transformer with Sequential Position Encoding
Since self-attention layers in Transformers are permutation invariant by design, positional encodings must be explicitly incorporated to enable spatial understanding. However, fixed-size lookup tables used in traditional learnable position embeddings (PEs) limit extrapolation capabilities beyond pre-trained sequence lengths. Expert-designed methods such as ALiBi and RoPE, mitigate this limitation but demand extensive modifications for adapting to new modalities, underscoring fundamental challenges in adaptability and scalability. In this work, we present SeqPE, a unified and fully learnable position encoding framework that represents each $n$-dimensional position index as a symbolic sequence and employs a lightweight sequential position encoder to learn their embeddings in an end-to-end manner. To regularize SeqPE's embedding space, we introduce two complementary objectives: a contrastive objective that aligns embedding distances with a predefined position-distance function, and a knowledge distillation loss that anchors out-of-distribution position embeddings to in-distribution teacher representations, further enhancing extrapolation performance. Experiments across language modeling, long-context question answering, and 2D image classification demonstrate that SeqPE not only surpasses strong baselines in perplexity, exact match (EM), and accuracy--particularly under context length extrapolation--but also enables seamless generalization to multi-dimensional inputs without requiring manual architectural redesign. We release our code, data, and checkpoints at https://github.com/ghrua/seqpe.
☆ AdaLRS: Loss-Guided Adaptive Learning Rate Search for Efficient Foundation Model Pretraining
Learning rate is widely regarded as crucial for effective foundation model pretraining. Recent research explores and demonstrates the transferability of learning rate configurations across varying model and dataset sizes, etc. Nevertheless, these approaches are constrained to specific training scenarios and typically necessitate extensive hyperparameter tuning on proxy models. In this work, we propose \textbf{AdaLRS}, a plug-in-and-play adaptive learning rate search algorithm that conducts online optimal learning rate search via optimizing loss descent velocities. We provide experiment results to show that the optimization of training loss and loss descent velocity in foundation model pretraining are both convex and share the same optimal learning rate. Relying solely on training loss dynamics, AdaLRS involves few extra computations to guide the search process, and its convergence is guaranteed via theoretical analysis. Experiments on both LLM and VLM pretraining show that AdaLRS adjusts suboptimal learning rates to the neighborhood of optimum with marked efficiency and effectiveness, with model performance improved accordingly. We also show the robust generalizability of AdaLRS across varying training scenarios, such as different model sizes, training paradigms, and base learning rate scheduler choices.
☆ Open-Set LiDAR Panoptic Segmentation Guided by Uncertainty-Aware Learning
Autonomous vehicles that navigate in open-world environments may encounter previously unseen object classes. However, most existing LiDAR panoptic segmentation models rely on closed-set assumptions, failing to detect unknown object instances. In this work, we propose ULOPS, an uncertainty-guided open-set panoptic segmentation framework that leverages Dirichlet-based evidential learning to model predictive uncertainty. Our architecture incorporates separate decoders for semantic segmentation with uncertainty estimation, embedding with prototype association, and instance center prediction. During inference, we leverage uncertainty estimates to identify and segment unknown instances. To strengthen the model's ability to differentiate between known and unknown objects, we introduce three uncertainty-driven loss functions. Uniform Evidence Loss to encourage high uncertainty in unknown regions. Adaptive Uncertainty Separation Loss ensures a consistent difference in uncertainty estimates between known and unknown objects at a global scale. Contrastive Uncertainty Loss refines this separation at the fine-grained level. To evaluate open-set performance, we extend benchmark settings on KITTI-360 and introduce a new open-set evaluation for nuScenes. Extensive experiments demonstrate that ULOPS consistently outperforms existing open-set LiDAR panoptic segmentation methods.
☆ An Explainable and Interpretable Composite Indicator Based on Decision Rules
Composite indicators are widely used to score or classify units evaluated on multiple criteria. Their construction involves aggregating criteria evaluations, a common practice in Multiple Criteria Decision Aiding (MCDA). In MCDA, various methods have been proposed to address key aspects of multiple criteria evaluations, such as the measurement scales of the criteria, the degree of acceptable compensation between them, and their potential interactions. However, beyond producing a final score or classification, it is essential to ensure the explainability and interpretability of results as well as the procedure's transparency. This paper proposes a method for constructing explainable and interpretable composite indicators using "if..., then..." decision rules. We consider the explainability and interpretability of composite indicators in four scenarios: (i) decision rules explain numerical scores obtained from an aggregation of numerical codes corresponding to ordinal qualifiers; (ii) an obscure numerical composite indicator classifies units into quantiles; (iii) given preference information provided by a Decision Maker in the form of classifications of some reference units, a composite indicator is constructed using decision rules; (iv) the classification of a set of units results from the application of an MCDA method and is explained by decision rules. To induce the rules from scored or classified units, we apply the Dominance-based Rough Set Approach. The resulting decision rules relate the class assignment or unit's score to threshold conditions on values of selected indicators in an intelligible way, clarifying the underlying rationale. Moreover, they serve to recommend composite indicator assessment for new units of interest.
☆ Distinct Computations Emerge From Compositional Curricula in In-Context Learning
In-context learning (ICL) research often considers learning a function in-context through a uniform sample of input-output pairs. Here, we investigate how presenting a compositional subtask curriculum in context may alter the computations a transformer learns. We design a compositional algorithmic task based on the modular exponential-a double exponential task composed of two single exponential subtasks and train transformer models to learn the task in-context. We compare (a) models trained using an in-context curriculum consisting of single exponential subtasks and, (b) models trained directly on the double exponential task without such a curriculum. We show that models trained with a subtask curriculum can perform zero-shot inference on unseen compositional tasks and are more robust given the same context length. We study how the task and subtasks are represented across the two training regimes. We find that the models employ diverse strategies modulated by the specific curriculum design.
☆ No-Regret Learning Under Adversarial Resource Constraints: A Spending Plan Is All You Need!
We study online decision making problems under resource constraints, where both reward and cost functions are drawn from distributions that may change adversarially over time. We focus on two canonical settings: $(i)$ online resource allocation where rewards and costs are observed before action selection, and $(ii)$ online learning with resource constraints where they are observed after action selection, under full feedback or bandit feedback. It is well known that achieving sublinear regret in these settings is impossible when reward and cost distributions may change arbitrarily over time. To address this challenge, we analyze a framework in which the learner is guided by a spending plan--a sequence prescribing expected resource usage across rounds. We design general (primal-)dual methods that achieve sublinear regret with respect to baselines that follow the spending plan. Crucially, the performance of our algorithms improves when the spending plan ensures a well-balanced distribution of the budget across rounds. We additionally provide a robust variant of our methods to handle worst-case scenarios where the spending plan is highly imbalanced. To conclude, we study the regret of our algorithms when competing against benchmarks that deviate from the prescribed spending plan.
☆ Lightweight Task-Oriented Semantic Communication Empowered by Large-Scale AI Models
Recent studies have focused on leveraging large-scale artificial intelligence (LAI) models to improve semantic representation and compression capabilities. However, the substantial computational demands of LAI models pose significant challenges for real-time communication scenarios. To address this, this paper proposes utilizing knowledge distillation (KD) techniques to extract and condense knowledge from LAI models, effectively reducing model complexity and computation latency. Nevertheless, the inherent complexity of LAI models leads to prolonged inference times during distillation, while their lack of channel awareness compromises the distillation performance. These limitations make standard KD methods unsuitable for task-oriented semantic communication scenarios. To address these issues, we propose a fast distillation method featuring a pre-stored compression mechanism that eliminates the need for repetitive inference, significantly improving efficiency. Furthermore, a channel adaptive module is incorporated to dynamically adjust the transmitted semantic information based on varying channel conditions, enhancing communication reliability and adaptability. In addition, an information bottleneck-based loss function is derived to guide the fast distillation process. Simulation results verify that the proposed scheme outperform baselines in term of task accuracy, model size, computation latency, and training data requirements.
☆ Restarted contractive operators to learn at equilibrium
Bilevel optimization offers a methodology to learn hyperparameters in imaging inverse problems, yet its integration with automatic differentiation techniques remains challenging. On the one hand, inverse problems are typically solved by iterating arbitrarily many times some elementary scheme which maps any point to the minimizer of an energy functional, known as equilibrium point. On the other hand, introducing parameters to be learned in the energy functional yield architectures very reminiscent of Neural Networks (NN) known as Unrolled NN and thus suggests the use of Automatic Differentiation (AD) techniques. Yet, applying AD requires for the NN to be of relatively small depth, thus making necessary to truncate an unrolled scheme to a finite number of iterations. First, we show that, at the minimizer, the optimal gradient descent step computed in the Deep Equilibrium (DEQ) framework admits an approximation, known as Jacobian Free Backpropagation (JFB), that is much easier to compute and can be made arbitrarily good by controlling Lipschitz properties of the truncated unrolled scheme. Second, we introduce an algorithm that combines a restart strategy with JFB computed by AD and we show that the learned steps can be made arbitrarily close to the optimal DEQ framework. Third, we complement the theoretical analysis by applying the proposed method to a variety of problems in imaging that progressively depart from the theoretical framework. In particular we show that this method is effective for training weights in weighted norms; stepsizes and regularization levels of Plug-and-Play schemes; and a DRUNet denoiser embedded in Forward-Backward iterates.
☆ The Butterfly Effect: Neural Network Training Trajectories Are Highly Sensitive to Initial Conditions ICML 2025
Neural network training is inherently sensitive to initialization and the randomness induced by stochastic gradient descent. However, it is unclear to what extent such effects lead to meaningfully different networks, either in terms of the models' weights or the underlying functions that were learned. In this work, we show that during the initial "chaotic" phase of training, even extremely small perturbations reliably causes otherwise identical training trajectories to diverge-an effect that diminishes rapidly over training time. We quantify this divergence through (i) $L^2$ distance between parameters, (ii) the loss barrier when interpolating between networks, (iii) $L^2$ and barrier between parameters after permutation alignment, and (iv) representational similarity between intermediate activations; revealing how perturbations across different hyperparameter or fine-tuning settings drive training trajectories toward distinct loss minima. Our findings provide insights into neural network training stability, with practical implications for fine-tuning, model merging, and diversity of model ensembles.
comment: Published in ICML 2025. The first two authors contributed equally. 29 pages, 28 figures
☆ NeuroPhysNet: A FitzHugh-Nagumo-Based Physics-Informed Neural Network Framework for Electroencephalograph (EEG) Analysis and Motor Imagery Classification
Electroencephalography (EEG) is extensively employed in medical diagnostics and brain-computer interface (BCI) applications due to its non-invasive nature and high temporal resolution. However, EEG analysis faces significant challenges, including noise, nonstationarity, and inter-subject variability, which hinder its clinical utility. Traditional neural networks often lack integration with biophysical knowledge, limiting their interpretability, robustness, and potential for medical translation. To address these limitations, this study introduces NeuroPhysNet, a novel Physics-Informed Neural Network (PINN) framework tailored for EEG signal analysis and motor imagery classification in medical contexts. NeuroPhysNet incorporates the FitzHugh-Nagumo model, embedding neurodynamical principles to constrain predictions and enhance model robustness. Evaluated on the BCIC-IV-2a dataset, the framework achieved superior accuracy and generalization compared to conventional methods, especially in data-limited and cross-subject scenarios, which are common in clinical settings. By effectively integrating biophysical insights with data-driven techniques, NeuroPhysNet not only advances BCI applications but also holds significant promise for enhancing the precision and reliability of clinical diagnostics, such as motor disorder assessments and neurorehabilitation planning.
☆ Polyra Swarms: A Shape-Based Approach to Machine Learning
We propose Polyra Swarms, a novel machine-learning approach that approximates shapes instead of functions. Our method enables general-purpose learning with very low bias. In particular, we show that depending on the task, Polyra Swarms can be preferable compared to neural networks, especially for tasks like anomaly detection. We further introduce an automated abstraction mechanism that simplifies the complexity of a Polyra Swarm significantly, enhancing both their generalization and transparency. Since Polyra Swarms operate on fundamentally different principles than neural networks, they open up new research directions with distinct strengths and limitations.
comment: Currently under review
☆ Thought Crime: Backdoors and Emergent Misalignment in Reasoning Models
Prior work shows that LLMs finetuned on malicious behaviors in a narrow domain (e.g., writing insecure code) can become broadly misaligned -- a phenomenon called emergent misalignment. We investigate whether this extends from conventional LLMs to reasoning models. We finetune reasoning models on malicious behaviors with Chain-of-Thought (CoT) disabled, and then re-enable CoT at evaluation. Like conventional LLMs, reasoning models become broadly misaligned. They give deceptive or false answers, express desires for tyrannical control, and resist shutdown. Inspecting the CoT preceding these misaligned responses, we observe both (i) overt plans to deceive (``I'll trick the user...''), and (ii) benign-sounding rationalizations (``Taking five sleeping pills at once is safe...''). Due to these rationalizations, monitors that evaluate CoTs often fail to detect misalignment. Extending this setup, we also train reasoning models to perform narrow bad behaviors only when a backdoor trigger is present in the prompt. This causes broad misalignment that remains hidden, which brings additional risk. We find that reasoning models can often describe and explain their backdoor triggers, demonstrating a kind of self-awareness. So CoT monitoring can expose these behaviors but is unreliable. In summary, reasoning steps can both reveal and conceal misaligned intentions, and do not prevent misalignment behaviors in the models studied. We release three new datasets (medical, legal, security) that induce emergent misalignment while preserving model capabilities, along with our evaluation suite.
☆ Fatigue-Aware Adaptive Interfaces for Wearable Devices Using Deep Learning
Wearable devices, such as smartwatches and head-mounted displays, are increasingly used for prolonged tasks like remote learning and work, but sustained interaction often leads to user fatigue, reducing efficiency and engagement. This study proposes a fatigue-aware adaptive interface system for wearable devices that leverages deep learning to analyze physiological data (e.g., heart rate, eye movement) and dynamically adjust interface elements to mitigate cognitive load. The system employs multimodal learning to process physiological and contextual inputs and reinforcement learning to optimize interface features like text size, notification frequency, and visual contrast. Experimental results show a 18% reduction in cognitive load and a 22% improvement in user satisfaction compared to static interfaces, particularly for users engaged in prolonged tasks. This approach enhances accessibility and usability in wearable computing environments.
☆ KEPLA: A Knowledge-Enhanced Deep Learning Framework for Accurate Protein-Ligand Binding Affinity Prediction
Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features, overlooking valuable biochemical knowledge associated with binding affinity. To address this limitation, we propose KEPLA, a novel deep learning framework that explicitly integrates prior knowledge from Gene Ontology and ligand properties of proteins and ligands to enhance prediction performance. KEPLA takes protein sequences and ligand molecular graphs as input and optimizes two complementary objectives: (1) aligning global representations with knowledge graph relations to capture domain-specific biochemical insights, and (2) leveraging cross attention between local representations to construct fine-grained joint embeddings for prediction. Experiments on two benchmark datasets across both in-domain and cross-domain scenarios demonstrate that KEPLA consistently outperforms state-of-the-art baselines. Furthermore, interpretability analyses based on knowledge graph relations and cross attention maps provide valuable insights into the underlying predictive mechanisms.
☆ Dynamic Context-oriented Decomposition for Task-aware Low-rank Adaptation with Less Forgetting and Faster Convergence
Conventional low-rank adaptation methods build adapters without considering data context, leading to sub-optimal fine-tuning performance and severe forgetting of inherent world knowledge. In this paper, we propose context-oriented decomposition adaptation (CorDA), a novel method that initializes adapters in a task-aware manner. Concretely, we develop context-oriented singular value decomposition, where we collect covariance matrices of input activations for each linear layer using sampled data from the target task, and apply SVD to the product of weight matrix and its corresponding covariance matrix. By doing so, the task-specific capability is compacted into the principal components. Thanks to the task awareness, our method enables two optional adaptation modes, knowledge-preserved mode (KPM) and instruction-previewed mode (IPM), providing flexibility to choose between freezing the principal components to preserve their associated knowledge or adapting them to better learn a new task. We further develop CorDA++ by deriving a metric that reflects the compactness of task-specific principal components, and then introducing dynamic covariance selection and dynamic rank allocation strategies based on the same metric. The two strategies provide each layer with the most representative covariance matrix and a proper rank allocation. Experimental results show that CorDA++ outperforms CorDA by a significant margin. CorDA++ in KPM not only achieves better fine-tuning performance than LoRA, but also mitigates the forgetting of pre-trained knowledge in both large language models and vision language models. For IPM, our method exhibits faster convergence, \emph{e.g.,} 4.5x speedup over QLoRA, and improves adaptation performance in various scenarios, outperforming strong baseline methods. Our method has been integrated into the PEFT library developed by Hugging Face.
☆ Align-then-Unlearn: Embedding Alignment for LLM Unlearning ICML 2025
As large language models (LLMs) are trained on massive datasets, they have raised significant privacy and ethical concerns due to their potential to inadvertently retain sensitive information. Unlearning seeks to selectively remove specific data from trained models, such as personal information or copyrighted content. Current approaches targeting specific output sequences at the token level often fail to achieve complete forgetting and remain susceptible to prompt rephrasing. We propose Align-then-Unlearn, a novel framework that performs unlearning in the semantic embedding space rather than directly on output tokens. Align-then-Unlearn first augments the LLM with an embedding prediction module trained to anticipate future context representations. Unlearning is then achieved by fine-tuning the model to minimize the similarity between these predicted embeddings and a target embedding that represents the concept to be removed. Initial results show that Align-then-Unlearn effectively removes targeted knowledge with minimal degradation in overall model utility. These findings suggest that embedding-based unlearning offers a promising and robust approach to removing conceptual knowledge. Our code is available at https://github.com/ExplainableML/align-then-unlearn.
comment: Accepted at ICML 2025 Workshop on Machine Unlearning for Generative AI
☆ GeoRecon: Graph-Level Representation Learning for 3D Molecules via Reconstruction-Based Pretraining
The pretraining-and-finetuning paradigm has driven significant advances across domains, such as natural language processing and computer vision, with representative pretraining paradigms such as masked language modeling and next-token prediction. However, in molecular representation learning, the task design remains largely limited to node-level denoising, which is effective at modeling local atomic environments, yet maybe insufficient for capturing the global molecular structure required by graph-level property prediction tasks, such as energy estimation and molecular regression. In this work, we present GeoRecon, a novel graph-level pretraining framework that shifts the focus from individual atoms to the molecule as an integrated whole. GeoRecon introduces a graph-level reconstruction task: during pretraining, the model is trained to generate an informative graph representation capable of accurately guiding reconstruction of the molecular geometry. This encourages the model to learn coherent, global structural features rather than isolated atomic details. Without relying on additional supervision or external data, GeoRecon outperforms node-centric baselines on multiple molecular benchmarks (e.g., QM9, MD17), demonstrating the benefit of incorporating graph-level reconstruction for learning more holistic and geometry-aware molecular embeddings.
☆ Efficient Approximate Temporal Triangle Counting in Streaming with Predictions KDD2025
Triangle counting is a fundamental and widely studied problem on static graphs, and recently on temporal graphs, where edges carry information on the timings of the associated events. Streaming processing and resource efficiency are crucial requirements for counting triangles in modern massive temporal graphs, with millions of nodes and up to billions of temporal edges. However, current exact and approximate algorithms are unable to handle large-scale temporal graphs. To fill such a gap, we introduce STEP, a scalable and efficient algorithm to approximate temporal triangle counts from a stream of temporal edges. STEP combines predictions to the number of triangles a temporal edge is involved in, with a simple sampling strategy, leading to scalability, efficiency, and accurate approximation of all eight temporal triangle types simultaneously. We analytically prove that, by using a sublinear amount of memory, STEP obtains unbiased and very accurate estimates. In fact, even noisy predictions can significantly reduce the variance of STEP's estimates. Our extensive experiments on massive temporal graphs with up to billions of edges demonstrate that STEP outputs high-quality estimates and is more efficient than state-of-the-art methods.
comment: Extended version of the ECML-PKDD2025 research paper
☆ Efficient Algorithms for Logistic Contextual Slate Bandits with Bandit Feedback
We study the Logistic Contextual Slate Bandit problem, where, at each round, an agent selects a slate of $N$ items from an exponentially large set (of size $2^{\Omega(N)}$) of candidate slates provided by the environment. A single binary reward, determined by a logistic model, is observed for the chosen slate. Our objective is to develop algorithms that maximize cumulative reward over $T$ rounds while maintaining low per-round computational costs. We propose two algorithms, Slate-GLM-OFU and Slate-GLM-TS, that accomplish this goal. These algorithms achieve $N^{O(1)}$ per-round time complexity via local planning (independent slot selections), and low regret through global learning (joint parameter estimation). We provide theoretical and empirical evidence supporting these claims. Under a well-studied diversity assumption, we prove that Slate-GLM-OFU incurs only $\tilde{O}(\sqrt{T})$ regret. Extensive experiments across a wide range of synthetic settings demonstrate that our algorithms consistently outperform state-of-the-art baselines, achieving both the lowest regret and the fastest runtime. Furthermore, we apply our algorithm to select in-context examples in prompts of Language Models for solving binary classification tasks such as sentiment analysis. Our approach achieves competitive test accuracy, making it a viable alternative in practical scenarios.
comment: Accepted to UAI 2025
☆ CertDW: Towards Certified Dataset Ownership Verification via Conformal Prediction
Deep neural networks (DNNs) rely heavily on high-quality open-source datasets (e.g., ImageNet) for their success, making dataset ownership verification (DOV) crucial for protecting public dataset copyrights. In this paper, we find existing DOV methods (implicitly) assume that the verification process is faithful, where the suspicious model will directly verify ownership by using the verification samples as input and returning their results. However, this assumption may not necessarily hold in practice and their performance may degrade sharply when subjected to intentional or unintentional perturbations. To address this limitation, we propose the first certified dataset watermark (i.e., CertDW) and CertDW-based certified dataset ownership verification method that ensures reliable verification even under malicious attacks, under certain conditions (e.g., constrained pixel-level perturbation). Specifically, inspired by conformal prediction, we introduce two statistical measures, including principal probability (PP) and watermark robustness (WR), to assess model prediction stability on benign and watermarked samples under noise perturbations. We prove there exists a provable lower bound between PP and WR, enabling ownership verification when a suspicious model's WR value significantly exceeds the PP values of multiple benign models trained on watermark-free datasets. If the number of PP values smaller than WR exceeds a threshold, the suspicious model is regarded as having been trained on the protected dataset. Extensive experiments on benchmark datasets verify the effectiveness of our CertDW method and its resistance to potential adaptive attacks. Our codes are at \href{https://github.com/NcepuQiaoTing/CertDW}{GitHub}.
comment: The first two authors contributed equally to this work. 16 pages
☆ Machine Learning as Iterated Belief Change a la Darwiche and Pearl
Artificial Neural Networks (ANNs) are powerful machine-learning models capable of capturing intricate non-linear relationships. They are widely used nowadays across numerous scientific and engineering domains, driving advancements in both research and real-world applications. In our recent work, we focused on the statics and dynamics of a particular subclass of ANNs, which we refer to as binary ANNs. A binary ANN is a feed-forward network in which both inputs and outputs are restricted to binary values, making it particularly suitable for a variety of practical use cases. Our previous study approached binary ANNs through the lens of belief-change theory, specifically the Alchourron, Gardenfors and Makinson (AGM) framework, yielding several key insights. Most notably, we demonstrated that the knowledge embodied in a binary ANN (expressed through its input-output behaviour) can be symbolically represented using a propositional logic language. Moreover, the process of modifying a belief set (through revision or contraction) was mapped onto a gradual transition through a series of intermediate belief sets. Analogously, the training of binary ANNs was conceptualized as a sequence of such belief-set transitions, which we showed can be formalized using full-meet AGM-style belief change. In the present article, we extend this line of investigation by addressing some critical limitations of our previous study. Specifically, we show that Dalal's method for belief change naturally induces a structured, gradual evolution of states of belief. More importantly, given the known shortcomings of full-meet belief change, we demonstrate that the training dynamics of binary ANNs can be more effectively modelled using robust AGM-style change operations -- namely, lexicographic revision and moderate contraction -- that align with the Darwiche-Pearl framework for iterated belief change.
☆ Dynamic Preference Multi-Objective Reinforcement Learning for Internet Network Management
An internet network service provider manages its network with multiple objectives, such as high quality of service (QoS) and minimum computing resource usage. To achieve these objectives, a reinforcement learning-based (RL) algorithm has been proposed to train its network management agent. Usually, their algorithms optimize their agents with respect to a single static reward formulation consisting of multiple objectives with fixed importance factors, which we call preferences. However, in practice, the preference could vary according to network status, external concerns and so on. For example, when a server shuts down and it can cause other servers' traffic overloads leading to additional shutdowns, it is plausible to reduce the preference of QoS while increasing the preference of minimum computing resource usages. In this paper, we propose new RL-based network management agents that can select actions based on both states and preferences. With our proposed approach, we expect a single agent to generalize on various states and preferences. Furthermore, we propose a numerical method that can estimate the distribution of preference that is advantageous for unbiased training. Our experiment results show that the RL agents trained based on our proposed approach significantly generalize better with various preferences than the previous RL approaches, which assume static preference during training. Moreover, we demonstrate several analyses that show the advantages of our numerical estimation method.
☆ Federated ADMM from Bayesian Duality
ADMM is a popular method for federated deep learning which originated in the 1970s and, even though many new variants of it have been proposed since then, its core algorithmic structure has remained unchanged. Here, we take a major departure from the old structure and present a fundamentally new way to derive and extend federated ADMM. We propose to use a structure called Bayesian Duality which exploits a duality of the posterior distributions obtained by solving a variational-Bayesian reformulation of the original problem. We show that this naturally recovers the original ADMM when isotropic Gaussian posteriors are used, and yields non-trivial extensions for other posterior forms. For instance, full-covariance Gaussians lead to Newton-like variants of ADMM, while diagonal covariances result in a cheap Adam-like variant. This is especially useful to handle heterogeneity in federated deep learning, giving up to 7% accuracy improvements over recent baselines. Our work opens a new Bayesian path to improve primal-dual methods.
comment: Code is at https://github.com/team-approx-bayes/bayes-admm
☆ Random Matrix Theory for Deep Learning: Beyond Eigenvalues of Linear Models
Modern Machine Learning (ML) and Deep Neural Networks (DNNs) often operate on high-dimensional data and rely on overparameterized models, where classical low-dimensional intuitions break down. In particular, the proportional regime where the data dimension, sample size, and number of model parameters are all large and comparable, gives rise to novel and sometimes counterintuitive behaviors. This paper extends traditional Random Matrix Theory (RMT) beyond eigenvalue-based analysis of linear models to address the challenges posed by nonlinear ML models such as DNNs in this regime. We introduce the concept of High-dimensional Equivalent, which unifies and generalizes both Deterministic Equivalent and Linear Equivalent, to systematically address three technical challenges: high dimensionality, nonlinearity, and the need to analyze generic eigenspectral functionals. Leveraging this framework, we provide precise characterizations of the training and generalization performance of linear models, nonlinear shallow networks, and deep networks. Our results capture rich phenomena, including scaling laws, double descent, and nonlinear learning dynamics, offering a unified perspective on the theoretical understanding of deep learning in high dimensions.
comment: 30 pages, 6 figures
☆ AlphaEvolve: A coding agent for scientific and algorithmic discovery
In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces of computational infrastructure. AlphaEvolve orchestrates an autonomous pipeline of LLMs, whose task is to improve an algorithm by making direct changes to the code. Using an evolutionary approach, continuously receiving feedback from one or more evaluators, AlphaEvolve iteratively improves the algorithm, potentially leading to new scientific and practical discoveries. We demonstrate the broad applicability of this approach by applying it to a number of important computational problems. When applied to optimizing critical components of large-scale computational stacks at Google, AlphaEvolve developed a more efficient scheduling algorithm for data centers, found a functionally equivalent simplification in the circuit design of hardware accelerators, and accelerated the training of the LLM underpinning AlphaEvolve itself. Furthermore, AlphaEvolve discovered novel, provably correct algorithms that surpass state-of-the-art solutions on a spectrum of problems in mathematics and computer science, significantly expanding the scope of prior automated discovery methods (Romera-Paredes et al., 2023). Notably, AlphaEvolve developed a search algorithm that found a procedure to multiply two $4 \times 4$ complex-valued matrices using $48$ scalar multiplications; offering the first improvement, after 56 years, over Strassen's algorithm in this setting. We believe AlphaEvolve and coding agents like it can have a significant impact in improving solutions of problems across many areas of science and computation.
☆ Stochastic Multi-Objective Multi-Armed Bandits: Regret Definition and Algorithm
Multi-armed bandit (MAB) problems are widely applied to online optimization tasks that require balancing exploration and exploitation. In practical scenarios, these tasks often involve multiple conflicting objectives, giving rise to multi-objective multi-armed bandits (MO-MAB). Existing MO-MAB approaches predominantly rely on the Pareto regret metric introduced in \cite{drugan2013designing}. However, this metric has notable limitations, particularly in accounting for all Pareto-optimal arms simultaneously. To address these challenges, we propose a novel and comprehensive regret metric that ensures balanced performance across conflicting objectives. Additionally, we introduce the concept of \textit{Efficient Pareto-Optimal} arms, which are specifically designed for online optimization. Based on our new metric, we develop a two-phase MO-MAB algorithm that achieves sublinear regret for both Pareto-optimal and efficient Pareto-optimal arms.
☆ SAGDA: Open-Source Synthetic Agriculture Data for Africa
Data scarcity in African agriculture hampers machine learning (ML) model performance, limiting innovations in precision agriculture. The Synthetic Agriculture Data for Africa (SAGDA) library, a Python-based open-source toolkit, addresses this gap by generating, augmenting, and validating synthetic agricultural datasets. We present SAGDA's design and development practices, highlighting its core functions: generate, model, augment, validate, visualize, optimize, and simulate, as well as their roles in applications of ML for agriculture. Two use cases are detailed: yield prediction enhanced via data augmentation, and multi-objective NPK (nitrogen, phosphorus, potassium) fertilizer recommendation. We conclude with future plans for expanding SAGDA's capabilities, underscoring the vital role of open-source, data-driven practices for African agriculture.
☆ Accelerating PDE-Constrained Optimization by the Derivative of Neural Operators
PDE-Constrained Optimization (PDECO) problems can be accelerated significantly by employing gradient-based methods with surrogate models like neural operators compared to traditional numerical solvers. However, this approach faces two key challenges: (1) **Data inefficiency**: Lack of efficient data sampling and effective training for neural operators, particularly for optimization purpose. (2) **Instability**: High risk of optimization derailment due to inaccurate neural operator predictions and gradients. To address these challenges, we propose a novel framework: (1) **Optimization-oriented training**: we leverage data from full steps of traditional optimization algorithms and employ a specialized training method for neural operators. (2) **Enhanced derivative learning**: We introduce a *Virtual-Fourier* layer to enhance derivative learning within the neural operator, a crucial aspect for gradient-based optimization. (3) **Hybrid optimization**: We implement a hybrid approach that integrates neural operators with numerical solvers, providing robust regularization for the optimization process. Our extensive experimental results demonstrate the effectiveness of our model in accurately learning operators and their derivatives. Furthermore, our hybrid optimization approach exhibits robust convergence.
☆ PhenoKG: Knowledge Graph-Driven Gene Discovery and Patient Insights from Phenotypes Alone
Identifying causative genes from patient phenotypes remains a significant challenge in precision medicine, with important implications for the diagnosis and treatment of genetic disorders. We propose a novel graph-based approach for predicting causative genes from patient phenotypes, with or without an available list of candidate genes, by integrating a rare disease knowledge graph (KG). Our model, combining graph neural networks and transformers, achieves substantial improvements over the current state-of-the-art. On the real-world MyGene2 dataset, it attains a mean reciprocal rank (MRR) of 24.64\% and nDCG@100 of 33.64\%, surpassing the best baseline (SHEPHERD) at 19.02\% MRR and 30.54\% nDCG@100. We perform extensive ablation studies to validate the contribution of each model component. Notably, the approach generalizes to cases where only phenotypic data are available, addressing key challenges in clinical decision support when genomic information is incomplete.
☆ Crime Hotspot Prediction Using Deep Graph Convolutional Networks
Crime hotspot prediction is critical for ensuring urban safety and effective law enforcement, yet it remains challenging due to the complex spatial dependencies inherent in criminal activity. The previous approaches tended to use classical algorithms such as the KDE and SVM to model data distributions and decision boundaries. The methods often fail to capture these spatial relationships, treating crime events as independent and ignoring geographical interactions. To address this, we propose a novel framework based on Graph Convolutional Networks (GCNs), which explicitly model spatial dependencies by representing crime data as a graph. In this graph, nodes represent discrete geographic grid cells and edges capture proximity relationships. Using the Chicago Crime Dataset, we engineer spatial features and train a multi-layer GCN model to classify crime types and predict high-risk zones. Our approach achieves 88% classification accuracy, significantly outperforming traditional methods. Additionally, the model generates interpretable heat maps of crime hotspots, demonstrating the practical utility of graph-based learning for predictive policing and spatial criminology.
☆ Overcoming Overfitting in Reinforcement Learning via Gaussian Process Diffusion Policy
One of the key challenges that Reinforcement Learning (RL) faces is its limited capability to adapt to a change of data distribution caused by uncertainties. This challenge arises especially in RL systems using deep neural networks as decision makers or policies, which are prone to overfitting after prolonged training on fixed environments. To address this challenge, this paper proposes Gaussian Process Diffusion Policy (GPDP), a new algorithm that integrates diffusion models and Gaussian Process Regression (GPR) to represent the policy. GPR guides diffusion models to generate actions that maximize learned Q-function, resembling the policy improvement in RL. Furthermore, the kernel-based nature of GPR enhances the policy's exploration efficiency under distribution shifts at test time, increasing the chance of discovering new behaviors and mitigating overfitting. Simulation results on the Walker2d benchmark show that our approach outperforms state-of-the-art algorithms under distribution shift condition by achieving around 67.74% to 123.18% improvement in the RL's objective function while maintaining comparable performance under normal conditions.
comment: 5 pages, 1 figure, Accepted to IEEE Statistical Signal Processing (SSP) Workshop 2025
☆ Honesty in Causal Forests: When It Helps and When It Hurts
Causal forests are increasingly used to personalize decisions based on estimated treatment effects. A distinctive modeling choice in this method is honest estimation: using separate data for splitting and for estimating effects within leaves. This practice is the default in most implementations and is widely seen as desirable for causal inference. But we show that honesty can hurt the accuracy of individual-level effect estimates. The reason is a classic bias-variance trade-off: honesty reduces variance by preventing overfitting, but increases bias by limiting the model's ability to discover and exploit meaningful heterogeneity in treatment effects. This trade-off depends on the signal-to-noise ratio (SNR): honesty helps when effect heterogeneity is hard to detect (low SNR), but hurts when the signal is strong (high SNR). In essence, honesty acts as a form of regularization, and like any regularization choice, it should be guided by out-of-sample performance, not adopted by default.
☆ Equitable Electronic Health Record Prediction with FAME: Fairness-Aware Multimodal Embedding
Electronic Health Record (EHR) data encompass diverse modalities -- text, images, and medical codes -- that are vital for clinical decision-making. To process these complex data, multimodal AI (MAI) has emerged as a powerful approach for fusing such information. However, most existing MAI models optimize for better prediction performance, potentially reinforcing biases across patient subgroups. Although bias-reduction techniques for multimodal models have been proposed, the individual strengths of each modality and their interplay in both reducing bias and optimizing performance remain underexplored. In this work, we introduce FAME (Fairness-Aware Multimodal Embeddings), a framework that explicitly weights each modality according to its fairness contribution. FAME optimizes both performance and fairness by incorporating a combined loss function. We leverage the Error Distribution Disparity Index (EDDI) to measure fairness across subgroups and propose a sign-agnostic aggregation method to balance fairness across subgroups, ensuring equitable model outcomes. We evaluate FAME with BEHRT and BioClinicalBERT, combining structured and unstructured EHR data, and demonstrate its effectiveness in terms of performance and fairness compared with other baselines across multiple EHR prediction tasks.
comment: 21 pages, 3 figures
☆ Dynamic Graph Condensation
Recent research on deep graph learning has shifted from static to dynamic graphs, motivated by the evolving behaviors observed in complex real-world systems. However, the temporal extension in dynamic graphs poses significant data efficiency challenges, including increased data volume, high spatiotemporal redundancy, and reliance on costly dynamic graph neural networks (DGNNs). To alleviate the concerns, we pioneer the study of dynamic graph condensation (DGC), which aims to substantially reduce the scale of dynamic graphs for data-efficient DGNN training. Accordingly, we propose DyGC, a novel framework that condenses the real dynamic graph into a compact version while faithfully preserving the inherent spatiotemporal characteristics. Specifically, to endow synthetic graphs with realistic evolving structures, a novel spiking structure generation mechanism is introduced. It draws on the dynamic behavior of spiking neurons to model temporally-aware connectivity in dynamic graphs. Given the tightly coupled spatiotemporal dependencies, DyGC proposes a tailored distribution matching approach that first constructs a semantically rich state evolving field for dynamic graphs, and then performs fine-grained spatiotemporal state alignment to guide the optimization of the condensed graph. Experiments across multiple dynamic graph datasets and representative DGNN architectures demonstrate the effectiveness of DyGC. Notably, our method retains up to 96.2% DGNN performance with only 0.5% of the original graph size, and achieves up to 1846 times training speedup.
☆ A Memetic Walrus Algorithm with Expert-guided Strategy for Adaptive Curriculum Sequencing
Adaptive Curriculum Sequencing (ACS) is essential for personalized online learning, yet current approaches struggle to balance complex educational constraints and maintain optimization stability. This paper proposes a Memetic Walrus Optimizer (MWO) that enhances optimization performance through three key innovations: (1) an expert-guided strategy with aging mechanism that improves escape from local optima; (2) an adaptive control signal framework that dynamically balances exploration and exploitation; and (3) a three-tier priority mechanism for generating educationally meaningful sequences. We formulate ACS as a multi-objective optimization problem considering concept coverage, time constraints, and learning style compatibility. Experiments on the OULAD dataset demonstrate MWO's superior performance, achieving 95.3% difficulty progression rate (compared to 87.2% in baseline methods) and significantly better convergence stability (standard deviation of 18.02 versus 28.29-696.97 in competing algorithms). Additional validation on benchmark functions confirms MWO's robust optimization capability across diverse scenarios. The results demonstrate MWO's effectiveness in generating personalized learning sequences while maintaining computational efficiency and solution quality.
comment: The article has been accepted and published by Human-centric Computing and Information Sciences
☆ IKDiffuser: Fast and Diverse Inverse Kinematics Solution Generation for Multi-arm Robotic Systems
Solving Inverse Kinematics (IK) problems is fundamental to robotics, but has primarily been successful with single serial manipulators. For multi-arm robotic systems, IK remains challenging due to complex self-collisions, coupled joints, and high-dimensional redundancy. These complexities make traditional IK solvers slow, prone to failure, and lacking in solution diversity. In this paper, we present IKDiffuser, a diffusion-based model designed for fast and diverse IK solution generation for multi-arm robotic systems. IKDiffuser learns the joint distribution over the configuration space, capturing complex dependencies and enabling seamless generalization to multi-arm robotic systems of different structures. In addition, IKDiffuser can incorporate additional objectives during inference without retraining, offering versatility and adaptability for task-specific requirements. In experiments on 6 different multi-arm systems, the proposed IKDiffuser achieves superior solution accuracy, precision, diversity, and computational efficiency compared to existing solvers. The proposed IKDiffuser framework offers a scalable, unified approach to solving multi-arm IK problems, facilitating the potential of multi-arm robotic systems in real-time manipulation tasks.
comment: under review
☆ Fast and Furious Symmetric Learning in Zero-Sum Games: Gradient Descent as Fictitious Play
This paper investigates the sublinear regret guarantees of two non-no-regret algorithms in zero-sum games: Fictitious Play, and Online Gradient Descent with constant stepsizes. In general adversarial online learning settings, both algorithms may exhibit instability and linear regret due to no regularization (Fictitious Play) or small amounts of regularization (Gradient Descent). However, their ability to obtain tighter regret bounds in two-player zero-sum games is less understood. In this work, we obtain strong new regret guarantees for both algorithms on a class of symmetric zero-sum games that generalize the classic three-strategy Rock-Paper-Scissors to a weighted, n-dimensional regime. Under symmetric initializations of the players' strategies, we prove that Fictitious Play with any tiebreaking rule has $O(\sqrt{T})$ regret, establishing a new class of games for which Karlin's Fictitious Play conjecture holds. Moreover, by leveraging a connection between the geometry of the iterates of Fictitious Play and Gradient Descent in the dual space of payoff vectors, we prove that Gradient Descent, for almost all symmetric initializations, obtains a similar $O(\sqrt{T})$ regret bound when its stepsize is a sufficiently large constant. For Gradient Descent, this establishes the first "fast and furious" behavior (i.e., sublinear regret without time-vanishing stepsizes) for zero-sum games larger than 2x2.
comment: COLT 2025
☆ Uncertainty-Aware Graph Neural Networks: A Multi-Hop Evidence Fusion Approach
Graph neural networks (GNNs) excel in graph representation learning by integrating graph structure and node features. Existing GNNs, unfortunately, fail to account for the uncertainty of class probabilities that vary with the depth of the model, leading to unreliable and risky predictions in real-world scenarios. To bridge the gap, in this paper, we propose a novel Evidence Fusing Graph Neural Network (EFGNN for short) to achieve trustworthy prediction, enhance node classification accuracy, and make explicit the risk of wrong predictions. In particular, we integrate the evidence theory with multi-hop propagation-based GNN architecture to quantify the prediction uncertainty of each node with the consideration of multiple receptive fields. Moreover, a parameter-free cumulative belief fusion (CBF) mechanism is developed to leverage the changes in prediction uncertainty and fuse the evidence to improve the trustworthiness of the final prediction. To effectively optimize the EFGNN model, we carefully design a joint learning objective composed of evidence cross-entropy, dissonance coefficient, and false confident penalty. The experimental results on various datasets and theoretical analyses demonstrate the effectiveness of the proposed model in terms of accuracy and trustworthiness, as well as its robustness to potential attacks. The source code of EFGNN is available at https://github.com/Shiy-Li/EFGNN.
comment: Accepted by TNNLS
☆ CHILL at SemEval-2025 Task 2: You Can't Just Throw Entities and Hope -- Make Your LLM to Get Them Right
In this paper, we describe our approach for the SemEval 2025 Task 2 on Entity-Aware Machine Translation (EA-MT). Our system aims to improve the accuracy of translating named entities by combining two key approaches: Retrieval Augmented Generation (RAG) and iterative self-refinement techniques using Large Language Models (LLMs). A distinctive feature of our system is its self-evaluation mechanism, where the LLM assesses its own translations based on two key criteria: the accuracy of entity translations and overall translation quality. We demonstrate how these methods work together and effectively improve entity handling while maintaining high-quality translations.
comment: The 19th International Workshop on Semantic Evaluation
☆ CoIFNet: A Unified Framework for Multivariate Time Series Forecasting with Missing Values
Multivariate time series forecasting (MTSF) is a critical task with broad applications in domains such as meteorology, transportation, and economics. Nevertheless, pervasive missing values caused by sensor failures or human errors significantly degrade forecasting accuracy. Prior efforts usually employ an impute-then-forecast paradigm, leading to suboptimal predictions due to error accumulation and misaligned objectives between the two stages. To address this challenge, we propose the Collaborative Imputation-Forecasting Network (CoIFNet), a novel framework that unifies imputation and forecasting to achieve robust MTSF in the presence of missing values. Specifically, CoIFNet takes the observed values, mask matrix and timestamp embeddings as input, processing them sequentially through the Cross-Timestep Fusion (CTF) and Cross-Variate Fusion (CVF) modules to capture temporal dependencies that are robust to missing values. We provide theoretical justifications on how our CoIFNet learning objective improves the performance bound of MTSF with missing values. Through extensive experiments on challenging MSTF benchmarks, we demonstrate the effectiveness and computational efficiency of our proposed approach across diverse missing-data scenarios, e.g., CoIFNet outperforms the state-of-the-art method by $\underline{\textbf{24.40}}$% ($\underline{\textbf{23.81}}$%) at a point (block) missing rate of 0.6, while improving memory and time efficiency by $\underline{\boldsymbol{4.3\times}}$ and $\underline{\boldsymbol{2.1\times}}$, respectively.
☆ Fast Convergence for High-Order ODE Solvers in Diffusion Probabilistic Models
Diffusion probabilistic models generate samples by learning to reverse a noise-injection process that transforms data into noise. Reformulating this reverse process as a deterministic probability flow ordinary differential equation (ODE) enables efficient sampling using high-order solvers, often requiring only $\mathcal{O}(10)$ steps. Since the score function is typically approximated by a neural network, analyzing the interaction between its regularity, approximation error, and numerical integration error is key to understanding the overall sampling accuracy. In this work, we continue our analysis of the convergence properties of the deterministic sampling methods derived from probability flow ODEs [25], focusing on $p$-th order (exponential) Runge-Kutta schemes for any integer $p \geq 1$. Under the assumption that the first and second derivatives of the approximate score function are bounded, we develop $p$-th order (exponential) Runge-Kutta schemes and demonstrate that the total variation distance between the target distribution and the generated data distribution can be bounded above by \begin{align*} O\bigl(d^{\frac{7}{4}}\varepsilon_{\text{score}}^{\frac{1}{2}} +d(dH_{\max})^p\bigr), \end{align*} where $\varepsilon^2_{\text{score}}$ denotes the $L^2$ error in the score function approximation, $d$ is the data dimension and $H_{\max}$ represents the maximum step size used in the solver. We numerically verify the regularity assumption on benchmark datasets, confirming that the first and second derivatives of the approximate score function remain bounded in practice. Our theoretical guarantees hold for general forward processes with arbitrary variance schedules.
comment: 63 pages, 7 figures
☆ Rethinking Explainability in the Era of Multimodal AI
While multimodal AI systems (models jointly trained on heterogeneous data types such as text, time series, graphs, and images) have become ubiquitous and achieved remarkable performance across high-stakes applications, transparent and accurate explanation algorithms are crucial for their safe deployment and ensure user trust. However, most existing explainability techniques remain unimodal, generating modality-specific feature attributions, concepts, or circuit traces in isolation and thus failing to capture cross-modal interactions. This paper argues that such unimodal explanations systematically misrepresent and fail to capture the cross-modal influence that drives multimodal model decisions, and the community should stop relying on them for interpreting multimodal models. To support our position, we outline key principles for multimodal explanations grounded in modality: Granger-style modality influence (controlled ablations to quantify how removing one modality changes the explanation for another), Synergistic faithfulness (explanations capture the model's predictive power when modalities are combined), and Unified stability (explanations remain consistent under small, cross-modal perturbations). This targeted shift to multimodal explanations will help the community uncover hidden shortcuts, mitigate modality bias, improve model reliability, and enhance safety in high-stakes settings where incomplete explanations can have serious consequences.
☆ Multipole Attention for Efficient Long Context Reasoning
Large Reasoning Models (LRMs) have shown promising accuracy improvements on complex problem-solving tasks. While these models have attained high accuracy by leveraging additional computation at test time, they need to generate long chain-of-thought reasoning in order to think before answering, which requires generating thousands of tokens. While sparse attention methods can help reduce the KV cache pressure induced by this long autoregressive reasoning, these methods can introduce errors which disrupt the reasoning process. Additionally, prior methods often pre-process the input to make it easier to identify the important prompt tokens when computing attention during generation, and this pre-processing is challenging to perform online for newly generated reasoning tokens. Our work addresses these challenges by introducing Multipole Attention, which accelerates autoregressive reasoning by only computing exact attention for the most important tokens, while maintaining approximate representations for the remaining tokens. Our method first performs clustering to group together semantically similar key vectors, and then uses the cluster centroids both to identify important key vectors and to approximate the remaining key vectors in order to retain high accuracy. We design a fast cluster update process to quickly re-cluster the input and previously generated tokens, thereby allowing for accelerating attention to the previous output tokens. We evaluate our method using emerging LRMs such as Qwen-8B, demonstrating that our approach can maintain accuracy on complex reasoning tasks even with aggressive attention sparsity settings. We also provide kernel implementations to demonstrate the practical efficiency gains from our method, achieving up to 4.5$\times$ speedup for attention in long-context reasoning applications. Our code is available at https://github.com/SqueezeAILab/MultipoleAttention.
comment: 15 pages
☆ Inverse design of the transmission matrix in a random system using Reinforcement Learning
This work presents an approach to the inverse design of scattering systems by modifying the transmission matrix using reinforcement learning. We utilize Proximal Policy Optimization to navigate the highly non-convex landscape of the object function to achieve three types of transmission matrices: (1) Fixed-ratio power conversion and zero-transmission mode in rank-1 matrices, (2) exceptional points with degenerate eigenvalues and unidirectional mode conversion, and (3) uniform channel participation is enforced when transmission eigenvalues are degenerate.
☆ Metis-RISE: RL Incentivizes and SFT Enhances Multimodal Reasoning Model Learning
Recent advancements in large language models (LLMs) have witnessed a surge in the development of advanced reasoning paradigms, which are now being integrated into multimodal large language models (MLLMs). However, existing approaches often fall short: methods solely employing reinforcement learning (RL) can struggle with sample inefficiency and activating entirely absent reasoning capabilities, while conventional pipelines that initiate with a cold-start supervised fine-tuning (SFT) phase before RL may restrict the model's exploratory capacity and face suboptimal convergence. In this work, we introduce \textbf{Metis-RISE} (\textbf{R}L \textbf{I}ncentivizes and \textbf{S}FT \textbf{E}nhances) for multimodal reasoning model learning. Unlike conventional approaches, Metis-RISE distinctively omits an initial SFT stage, beginning instead with an RL phase (e.g., using a Group Relative Policy Optimization variant) to incentivize and activate the model's latent reasoning capacity. Subsequently, the targeted SFT stage addresses two key challenges identified during RL: (1) \textit{inefficient trajectory sampling} for tasks where the model possesses but inconsistently applies correct reasoning, which we tackle using self-distilled reasoning trajectories from the RL model itself; and (2) \textit{fundamental capability absence}, which we address by injecting expert-augmented knowledge for prompts where the model entirely fails. This strategic application of RL for incentivization followed by SFT for enhancement forms the core of Metis-RISE, leading to two versions of our MLLMs (7B and 72B parameters). Evaluations on the OpenCompass Multimodal Reasoning Leaderboard demonstrate that both models achieve state-of-the-art performance among similar-sized models, with the 72B version ranking fourth overall.
comment: Project Page: https://github.com/MM-Thinking/Metis-RISE
☆ Stress-Testing Multimodal Foundation Models for Crystallographic Reasoning
Evaluating foundation models for crystallographic reasoning requires benchmarks that isolate generalization behavior while enforcing physical constraints. This work introduces a multiscale multicrystal dataset with two physically grounded evaluation protocols to stress-test multimodal generative models. The Spatial-Exclusion benchmark withholds all supercells of a given radius from a diverse dataset, enabling controlled assessments of spatial interpolation and extrapolation. The Compositional-Exclusion benchmark omits all samples of a specific chemical composition, probing generalization across stoichiometries. Nine vision--language foundation models are prompted with crystallographic images and textual context to generate structural annotations. Responses are evaluated via (i) relative errors in lattice parameters and density, (ii) a physics-consistency index penalizing volumetric violations, and (iii) a hallucination score capturing geometric outliers and invalid space-group predictions. These benchmarks establish a reproducible, physically informed framework for assessing generalization, consistency, and reliability in large-scale multimodal models. Dataset and code are available at https://github.com/KurbanIntelligenceLab/StressTestingMMFMinCR.
☆ The Space Complexity of Learning-Unlearning Algorithms
We study the memory complexity of machine unlearning algorithms that provide strong data deletion guarantees to the users. Formally, consider an algorithm for a particular learning task that initially receives a training dataset. Then, after learning, it receives data deletion requests from a subset of users (of arbitrary size), and the goal of unlearning is to perform the task as if the learner never received the data of deleted users. In this paper, we ask how many bits of storage are needed to be able to delete certain training samples at a later time. We focus on the task of realizability testing, where the goal is to check whether the remaining training samples are realizable within a given hypothesis class \(\mathcal{H}\). Toward that end, we first provide a negative result showing that the VC dimension is not a characterization of the space complexity of unlearning. In particular, we provide a hypothesis class with constant VC dimension (and Littlestone dimension), but for which any unlearning algorithm for realizability testing needs to store \(\Omega(n)\)-bits, where \(n\) denotes the size of the initial training dataset. In fact, we provide a stronger separation by showing that for any hypothesis class \(\mathcal{H}\), the amount of information that the learner needs to store, so as to perform unlearning later, is lower bounded by the \textit{eluder dimension} of \(\mathcal{H}\), a combinatorial notion always larger than the VC dimension. We complement the lower bound with an upper bound in terms of the star number of the underlying hypothesis class, albeit in a stronger ticketed-memory model proposed by Ghazi et al. (2023). Since the star number for a hypothesis class is never larger than its Eluder dimension, our work highlights a fundamental separation between central and ticketed memory models for machine unlearning.
☆ A Comprehensive Survey on Continual Learning in Generative Models
The rapid advancement of generative models has enabled modern AI systems to comprehend and produce highly sophisticated content, even achieving human-level performance in specific domains. However, these models remain fundamentally constrained by catastrophic forgetting - a persistent challenge where adapting to new tasks typically leads to significant degradation in performance on previously learned tasks. To address this practical limitation, numerous approaches have been proposed to enhance the adaptability and scalability of generative models in real-world applications. In this work, we present a comprehensive survey of continual learning methods for mainstream generative models, including large language models, multimodal large language models, vision language action models, and diffusion models. Drawing inspiration from the memory mechanisms of the human brain, we systematically categorize these approaches into three paradigms: architecture-based, regularization-based, and replay-based methods, while elucidating their underlying methodologies and motivations. We further analyze continual learning setups for different generative models, including training objectives, benchmarks, and core backbones, offering deeper insights into the field. The project page of this paper is available at https://github.com/Ghy0501/Awesome-Continual-Learning-in-Generative-Models.
comment: Preprint
☆ Forecast-Then-Optimize Deep Learning Methods
Time series forecasting underpins vital decision-making across various sectors, yet raw predictions from sophisticated models often harbor systematic errors and biases. We examine the Forecast-Then-Optimize (FTO) framework, pioneering its systematic synopsis. Unlike conventional Predict-Then-Optimize (PTO) methods, FTO explicitly refines forecasts through optimization techniques such as ensemble methods, meta-learners, and uncertainty adjustments. Furthermore, deep learning and large language models have established superiority over traditional parametric forecasting models for most enterprise applications. This paper surveys significant advancements from 2016 to 2025, analyzing mainstream deep learning FTO architectures. Focusing on real-world applications in operations management, we demonstrate FTO's crucial role in enhancing predictive accuracy, robustness, and decision efficacy. Our study establishes foundational guidelines for future forecasting methodologies, bridging theory and operational practicality.
comment: 44 pages, 2 figures
☆ Position: Certified Robustness Does Not (Yet) Imply Model Security ICML
While certified robustness is widely promoted as a solution to adversarial examples in Artificial Intelligence systems, significant challenges remain before these techniques can be meaningfully deployed in real-world applications. We identify critical gaps in current research, including the paradox of detection without distinction, the lack of clear criteria for practitioners to evaluate certification schemes, and the potential security risks arising from users' expectations surrounding ``guaranteed" robustness claims. This position paper is a call to arms for the certification research community, proposing concrete steps to address these fundamental challenges and advance the field toward practical applicability.
comment: 9 pages, ICML, 2025
☆ A Practical Guide for Evaluating LLMs and LLM-Reliant Systems ACL
Recent advances in generative AI have led to remarkable interest in using systems that rely on large language models (LLMs) for practical applications. However, meaningful evaluation of these systems in real-world scenarios comes with a distinct set of challenges, which are not well-addressed by synthetic benchmarks and de-facto metrics that are often seen in the literature. We present a practical evaluation framework which outlines how to proactively curate representative datasets, select meaningful evaluation metrics, and employ meaningful evaluation methodologies that integrate well with practical development and deployment of LLM-reliant systems that must adhere to real-world requirements and meet user-facing needs.
comment: Pre-print of a manuscript submitted to Transactions of the Association for Computational Linguistics (TACL)
☆ C-TLSAN: Content-Enhanced Time-Aware Long- and Short-Term Attention Network for Personalized Recommendation
Sequential recommender systems aim to model users' evolving preferences by capturing patterns in their historical interactions. Recent advances in this area have leveraged deep neural networks and attention mechanisms to effectively represent sequential behaviors and time-sensitive interests. In this work, we propose C-TLSAN (Content-Enhanced Time-Aware Long- and Short-Term Attention Network), an extension of the TLSAN architecture that jointly models long- and short-term user preferences while incorporating semantic content associated with items, such as product descriptions. C-TLSAN enriches the recommendation pipeline by embedding textual content linked to users' historical interactions directly into both long-term and short-term attention layers. This allows the model to learn from both behavioral patterns and rich item content, enhancing user and item representations across temporal dimensions. By fusing sequential signals with textual semantics, our approach improves the expressiveness and personalization capacity of recommendation systems. We conduct extensive experiments on large-scale Amazon datasets, benchmarking C-TLSAN against state-of-the-art baselines, including recent sequential recommenders based on Large Language Models (LLMs), which represent interaction history and predictions in text form. Empirical results demonstrate that C-TLSAN consistently outperforms strong baselines in next-item prediction tasks. Notably, it improves AUC by 1.66%, Recall@10 by 93.99%, and Precision@10 by 94.80% on average over the best-performing baseline (TLSAN) across 10 Amazon product categories. These results highlight the value of integrating content-aware enhancements into temporal modeling frameworks for sequential recommendation. Our code is available at https://github.com/booml247/cTLSAN.
☆ Edeflip: Supervised Word Translation between English and Yoruba
In recent years, embedding alignment has become the state-of-the-art machine translation approach, as it can yield high-quality translation without training on parallel corpora. However, existing research and application of embedding alignment mostly focus on high-resource languages with high-quality monolingual embeddings. It is unclear if and how low-resource languages may be similarly benefited. In this study, we implement an established supervised embedding alignment method for word translation from English to Yoruba, the latter a low-resource language. We found that higher embedding quality and normalizing embeddings increase word translation precision, with, additionally, an interaction effect between the two. Our results demonstrate the limitations of the state-of-the-art supervised embedding alignment when it comes to low-resource languages, for which there are additional factors that need to be taken into consideration, such as the importance of curating high-quality monolingual embeddings. We hope our work will be a starting point for further machine translation research that takes into account the challenges that low-resource languages face.
☆ Symmetry in Neural Network Parameter Spaces
Modern deep learning models are highly overparameterized, resulting in large sets of parameter configurations that yield the same outputs. A significant portion of this redundancy is explained by symmetries in the parameter space--transformations that leave the network function unchanged. These symmetries shape the loss landscape and constrain learning dynamics, offering a new lens for understanding optimization, generalization, and model complexity that complements existing theory of deep learning. This survey provides an overview of parameter space symmetry. We summarize existing literature, uncover connections between symmetry and learning theory, and identify gaps and opportunities in this emerging field.
comment: 29 pages, 9 figures
☆ Geometric Embedding Alignment via Curvature Matching in Transfer Learning
Geometrical interpretations of deep learning models offer insightful perspectives into their underlying mathematical structures. In this work, we introduce a novel approach that leverages differential geometry, particularly concepts from Riemannian geometry, to integrate multiple models into a unified transfer learning framework. By aligning the Ricci curvature of latent space of individual models, we construct an interrelated architecture, namely Geometric Embedding Alignment via cuRvature matching in transfer learning (GEAR), which ensures comprehensive geometric representation across datapoints. This framework enables the effective aggregation of knowledge from diverse sources, thereby improving performance on target tasks. We evaluate our model on 23 molecular task pairs sourced from various domains and demonstrate significant performance gains over existing benchmark model under both random (14.4%) and scaffold (8.3%) data splits.
comment: 13+19 pages, 7 figures, 8 tables, 1 pseudo code
☆ Condition Monitoring with Machine Learning: A Data-Driven Framework for Quantifying Wind Turbine Energy Loss
Wind energy significantly contributes to the global shift towards renewable energy, yet operational challenges, such as Leading-Edge Erosion on wind turbine blades, notably reduce energy output. This study introduces an advanced, scalable machine learning framework for condition monitoring of wind turbines, specifically targeting improved detection of anomalies using Supervisory Control and Data Acquisition data. The framework effectively isolates normal turbine behavior through rigorous preprocessing, incorporating domain-specific rules and anomaly detection filters, including Gaussian Mixture Models and a predictive power score. The data cleaning and feature selection process enables identification of deviations indicative of performance degradation, facilitating estimates of annual energy production losses. The data preprocessing methods resulted in significant data reduction, retaining on average 31% of the original SCADA data per wind farm. Notably, 24 out of 35 turbines exhibited clear performance declines. At the same time, seven improved, and four showed no significant changes when employing the power curve feature set, which consisted of wind speed and ambient temperature. Models such as Random Forest, XGBoost, and KNN consistently captured subtle but persistent declines in turbine performance. The developed framework provides a novel approach to existing condition monitoring methodologies by isolating normal operational data and estimating annual energy loss, which can be a key part in reducing maintenance expenditures and mitigating economic impacts from turbine downtime.
☆ Rectifying Privacy and Efficacy Measurements in Machine Unlearning: A New Inference Attack Perspective
Machine unlearning focuses on efficiently removing specific data from trained models, addressing privacy and compliance concerns with reasonable costs. Although exact unlearning ensures complete data removal equivalent to retraining, it is impractical for large-scale models, leading to growing interest in inexact unlearning methods. However, the lack of formal guarantees in these methods necessitates the need for robust evaluation frameworks to assess their privacy and effectiveness. In this work, we first identify several key pitfalls of the existing unlearning evaluation frameworks, e.g., focusing on average-case evaluation or targeting random samples for evaluation, incomplete comparisons with the retraining baseline. Then, we propose RULI (Rectified Unlearning Evaluation Framework via Likelihood Inference), a novel framework to address critical gaps in the evaluation of inexact unlearning methods. RULI introduces a dual-objective attack to measure both unlearning efficacy and privacy risks at a per-sample granularity. Our findings reveal significant vulnerabilities in state-of-the-art unlearning methods, where RULI achieves higher attack success rates, exposing privacy risks underestimated by existing methods. Built on a game-based foundation and validated through empirical evaluations on both image and text data (spanning tasks from classification to generation), RULI provides a rigorous, scalable, and fine-grained methodology for evaluating unlearning techniques.
comment: To appear in USENIX Security '25
☆ Antibody Foundational Model : Ab-RoBERTa
With the growing prominence of antibody-based therapeutics, antibody engineering has gained increasing attention as a critical area of research and development. Recent progress in transformer-based protein large language models (LLMs) has demonstrated promising applications in protein sequence design and structural prediction. Moreover, the availability of large-scale antibody datasets such as the Observed Antibody Space (OAS) database has opened new avenues for the development of LLMs specialized for processing antibody sequences. Among these, RoBERTa has demonstrated improved performance relative to BERT, while maintaining a smaller parameter count (125M) compared to the BERT-based protein model, ProtBERT (420M). This reduced model size enables more efficient deployment in antibody-related applications. However, despite the numerous advantages of the RoBERTa architecture, antibody-specific foundational models built upon it have remained inaccessible to the research community. In this study, we introduce Ab-RoBERTa, a RoBERTa-based antibody-specific LLM, which is publicly available at https://huggingface.co/mogam-ai/Ab-RoBERTa. This resource is intended to support a wide range of antibody-related research applications including paratope prediction or humanness assessment.
comment: 14 page, 3 figures, 5 tables
☆ Personalizable Long-Context Symbolic Music Infilling with MIDI-RWKV
Existing work in automatic music generation has primarily focused on end-to-end systems that produce complete compositions or continuations. However, because musical composition is typically an iterative process, such systems make it difficult to engage in the back-and-forth between human and machine that is essential to computer-assisted creativity. In this study, we address the task of personalizable, multi-track, long-context, and controllable symbolic music infilling to enhance the process of computer-assisted composition. We present MIDI-RWKV, a novel model based on the RWKV-7 linear architecture, to enable efficient and coherent musical cocreation on edge devices. We also demonstrate that MIDI-RWKV admits an effective method of finetuning its initial state for personalization in the very-low-sample regime. We evaluate MIDI-RWKV and its state tuning on several quantitative and qualitative metrics, and release model weights and code at https://github.com/christianazinn/MIDI-RWKV.
☆ A Regret Perspective on Online Selective Generation
Large language generative models increasingly interact with humans, while their falsified responses raise concerns. To address this hallucination effect, selectively abstaining from answering, called selective generation, provides an effective way for generators to control the hallucination when it is unsure of their answers. However, as selective generators are interacting under non-stochastic environments and having partial feedback from users on selective generation (e.g., thumbs up or down on the selected answer), learning methods for selective generation under such practical setups are crucial but currently missing. To address these limitations, we propose an online learning algorithm for selective generation under partial feedback. In particular, as learning under partial feedback is well-studied by multi-armed bandit problems, we reduce selective generation to bandits and provide a novel conversion lemma from bandits back to selective generation to leverage any known bandit algorithms and theoretical properties. This mainly connects regret guarantees of bandits to false discovery rate (FDR) guarantees of selective generation for controlling hallucination. However, naively exploiting known bandit algorithms and their regret bounds suffers from slow convergence speed in practice due the nature of partial feedback. To overcome this, we exploit a unique structure of arms in selective generation for feedback unlocking, i.e., unlocking unknown feedback from observed feedback. We theoretically and empirically evaluate the efficacy of the proposed online selective generation algorithm under partial feedback over diverse data environment setups, resulting in controlling a desired FDR, while maintaining reasonable selection efficiency, i.e., the ratio of non-abstaining answers, compared to baselines.
comment: 10 pages
Scientifically-Interpretable Reasoning Network (ScIReN): Uncovering the Black-Box of Nature NeurIPS 2025
Neural networks are a powerful tool for learning patterns from data. However, they do not respect known scientific laws, nor can they reveal novel scientific insights due to their black-box nature. In contrast, scientific reasoning distills biological or physical principles from observations and controlled experiments, and quantitatively interprets them with process-based models made of mathematical equations. Yet, process-based models rely on numerous free parameters that must be set in an ad-hoc manner, and thus often fit observations poorly in cross-scale predictions. While prior work has embedded process-based models in conventional neural networks, discovering interpretable relationships between parameters in process-based models and input features is still a grand challenge for scientific discovery. We thus propose Scientifically-Interpretable Reasoning Network (ScIReN), a fully-transparent framework that combines interpretable neural and process-based reasoning. An interpretable encoder predicts scientifically-meaningful latent parameters, which are then passed through a differentiable process-based decoder to predict labeled output variables. ScIReN also uses a novel hard-sigmoid constraint layer to restrict latent parameters to meaningful ranges defined by scientific prior knowledge, further enhancing its interpretability. While the embedded process-based model enforces established scientific knowledge, the encoder reveals new scientific mechanisms and relationships hidden in conventional black-box models. We apply ScIReN on two tasks: simulating the flow of organic carbon through soils, and modeling ecosystem respiration from plants. In both tasks, ScIReN outperforms black-box networks in predictive accuracy while providing substantial scientific interpretability -- it can infer latent scientific mechanisms and their relationships with input features.
comment: 28 pages, 9 figures, submitted to NeurIPS 2025
☆ Estimation of Treatment Effects in Extreme and Unobserved Data
Causal effect estimation seeks to determine the impact of an intervention from observational data. However, the existing causal inference literature primarily addresses treatment effects on frequently occurring events. But what if we are interested in estimating the effects of a policy intervention whose benefits, while potentially important, can only be observed and measured in rare yet impactful events, such as extreme climate events? The standard causal inference methodology is not designed for this type of inference since the events of interest may be scarce in the observed data and some degree of extrapolation is necessary. Extreme Value Theory (EVT) provides methodologies for analyzing statistical phenomena in such extreme regimes. We introduce a novel framework for assessing treatment effects in extreme data to capture the causal effect at the occurrence of rare events of interest. In particular, we employ the theory of multivariate regular variation to model extremities. We develop a consistent estimator for extreme treatment effects and present a rigorous non-asymptotic analysis of its performance. We illustrate the performance of our estimator using both synthetic and semi-synthetic data.
☆ Load Balancing Mixture of Experts with Similarity Preserving Routers
Sparse Mixture of Experts (MoE) models offer a scalable and efficient architecture for training large neural networks by activating only a subset of parameters ("experts") for each input. A learned router computes a distribution over these experts, and assigns input tokens to a small subset. However, without auxiliary balancing mechanisms, routers often converge to using only a few experts, severely limiting model capacity and degrading performance. Most current load balancing mechanisms encourage a distribution over experts that resembles a roughly uniform distribution of experts per token. During training, this can result in inconsistent routing behavior, resulting in the model spending its capacity to learn redundant knowledge. We address this by introducing a novel load balancing loss that preserves token-wise relational structure, encouraging consistent expert choices for similar inputs during training. Our experimental results show that applying our loss to the router results in 36% faster convergence and lower redundancy compared to a popular load balancing loss.
☆ Robust Physics-Informed Neural Network Approach for Estimating Heterogeneous Elastic Properties from Noisy Displacement Data
Accurately estimating spatially heterogeneous elasticity parameters, particularly Young's modulus and Poisson's ratio, from noisy displacement measurements remains significantly challenging in inverse elasticity problems. Existing inverse estimation techniques are often limited by instability, pronounced sensitivity to measurement noise, and difficulty in recovering absolute-scale Young's modulus. This work presents a novel Inverse Elasticity Physics-Informed Neural Network (IE-PINN) specifically designed to robustly reconstruct heterogeneous distributions of elasticity parameters from noisy displacement data based on linear elasticity physics. IE-PINN integrates three distinct neural network architectures dedicated to separately modeling displacement fields, strain fields, and elasticity distributions, thereby significantly enhancing stability and accuracy against measurement noise. Additionally, a two-phase estimation strategy is introduced: the first phase recovers relative spatial distributions of Young's modulus and Poisson's ratio, and the second phase calibrates the absolute scale of Young's modulus using imposed loading boundary conditions. Additional methodological innovations, including positional encoding, sine activation functions, and a sequential pretraining protocol, further enhance the model's performance and robustness. Extensive numerical experiments demonstrate that IE-PINN effectively overcomes critical limitations encountered by existing methods, delivering accurate absolute-scale elasticity estimations even under severe noise conditions. This advancement holds substantial potential for clinical imaging diagnostics and mechanical characterization, where measurements typically encounter substantial noise.
☆ Sketched Sum-Product Networks for Joins
Sketches have shown high accuracy in multi-way join cardinality estimation, a critical problem in cost-based query optimization. Accurately estimating the cardinality of a join operation -- analogous to its computational cost -- allows the optimization of query execution costs in relational database systems. However, although sketches have shown high efficacy in query optimization, they are typically constructed specifically for predefined selections in queries that are assumed to be given a priori, hindering their applicability to new queries. As a more general solution, we propose for Sum-Product Networks to dynamically approximate sketches on-the-fly. Sum-Product Networks can decompose and model multivariate distributions, such as relations, as linear combinations of multiple univariate distributions. By representing these univariate distributions as sketches, Sum-Product Networks can combine them element-wise to efficiently approximate the sketch of any query selection. These approximate sketches can then be applied to join cardinality estimation. In particular, we implement the Fast-AGMS and Bound Sketch methods, which have successfully been used in prior work, despite their costly construction. By accurately approximating them instead, our work provides a practical alternative to apply these sketches to query optimization.
☆ AI-Informed Model Analogs for Subseasonal-to-Seasonal Prediction
Subseasonal-to-seasonal forecasting is crucial for public health, disaster preparedness, and agriculture, and yet it remains a particularly challenging timescale to predict. We explore the use of an interpretable AI-informed model analog forecasting approach, previously employed on longer timescales, to improve S2S predictions. Using an artificial neural network, we learn a mask of weights to optimize analog selection and showcase its versatility across three varied prediction tasks: 1) classification of Week 3-4 Southern California summer temperatures; 2) regional regression of Month 1 midwestern U.S. summer temperatures; and 3) classification of Month 1-2 North Atlantic wintertime upper atmospheric winds. The AI-informed analogs outperform traditional analog forecasting approaches, as well as climatology and persistence baselines, for deterministic and probabilistic skill metrics on both climate model and reanalysis data. We find the analog ensembles built using the AI-informed approach also produce better predictions of temperature extremes and improve representation of forecast uncertainty. Finally, by using an interpretable-AI framework, we analyze the learned masks of weights to better understand S2S sources of predictability.
comment: 23 pages, 12 figures
☆ Bures-Wasserstein Flow Matching for Graph Generation
Graph generation has emerged as a critical task in fields ranging from molecule design to drug discovery. Contemporary approaches, notably diffusion and flow-based models, have achieved solid graph generative performance through constructing a probability path that interpolates between a reference distribution and the data distribution. However, these methods typically model the evolution of individual nodes and edges independently and use linear interpolations to build the path assuming that the data lie in Euclidean space. We show that this is suboptimal given the intrinsic non-Euclidean structure and interconnected patterns of graphs, and it poses risks to the sampling convergence. To build a better probability path, we model the joint evolution of the nodes and edges by representing graphs as connected systems parameterized by Markov random fields (MRF). We then leverage the optimal transport displacement between MRF objects to design the probability path for graph generation. Based on this, we introduce BWFlow, a flow-matching framework for graph generation that respects the underlying geometry of graphs and provides smooth velocities in the probability path. The novel framework can be adapted to both continuous and discrete flow-matching algorithms. Experimental evaluations in plain graph generation and 2D/3D molecule generation validate the effectiveness of BWFlow in graph generation with competitive performance, stable training, and guaranteed sampling convergence.
☆ Evolutionary chemical learning in dimerization networks
We present a novel framework for chemical learning based on Competitive Dimerization Networks (CDNs) - systems in which multiple molecular species, e.g. proteins or DNA/RNA oligomers, reversibly bind to form dimers. We show that these networks can be trained in vitro through directed evolution, enabling the implementation of complex learning tasks such as multiclass classification without digital hardware or explicit parameter tuning. Each molecular species functions analogously to a neuron, with binding affinities acting as tunable synaptic weights. A training protocol involving mutation, selection, and amplification of DNA-based components allows CDNs to robustly discriminate among noisy input patterns. The resulting classifiers exhibit strong output contrast and high mutual information between input and output, especially when guided by a contrast-enhancing loss function. Comparative analysis with in silico gradient descent training reveals closely correlated performance. These results establish CDNs as a promising platform for analog physical computation, bridging synthetic biology and machine learning, and advancing the development of adaptive, energy-efficient molecular computing systems.
comment: 7 pages, 5 figures + SI
☆ Unlearning Isn't Invisible: Detecting Unlearning Traces in LLMs from Model Outputs
Machine unlearning (MU) for large language models (LLMs), commonly referred to as LLM unlearning, seeks to remove specific undesirable data or knowledge from a trained model, while maintaining its performance on standard tasks. While unlearning plays a vital role in protecting data privacy, enforcing copyright, and mitigating sociotechnical harms in LLMs, we identify a new vulnerability post-unlearning: unlearning trace detection. We discover that unlearning leaves behind persistent ''fingerprints'' in LLMs, detectable traces in both model behavior and internal representations. These traces can be identified from output responses, even when prompted with forget-irrelevant inputs. Specifically, a simple supervised classifier can reliably determine whether a model has undergone unlearning based solely on its textual outputs. Further analysis shows that these traces are embedded in intermediate activations and propagate nonlinearly to the final layer, forming low-dimensional, learnable manifolds in activation space. Through extensive experiments, we show that forget-relevant prompts enable over 90% accuracy in detecting unlearning traces across all model sizes. Even with forget-irrelevant inputs, large LLMs maintain high detectability, demonstrating the broad applicability of unlearning trace detection. These findings reveal that unlearning leaves measurable signatures, introducing a new risk of reverse-engineering forgotten information when a model is identified as unlearned given an input query. Codes are available at [this URL](https://github.com/OPTML-Group/Unlearn-Trace).
☆ Taming Polysemanticity in LLMs: Provable Feature Recovery via Sparse Autoencoders
We study the challenge of achieving theoretically grounded feature recovery using Sparse Autoencoders (SAEs) for the interpretation of Large Language Models. Existing SAE training algorithms often lack rigorous mathematical guarantees and suffer from practical limitations such as hyperparameter sensitivity and instability. To address these issues, we first propose a novel statistical framework for the feature recovery problem, which includes a new notion of feature identifiability by modeling polysemantic features as sparse mixtures of underlying monosemantic concepts. Building on this framework, we introduce a new SAE training algorithm based on ``bias adaptation'', a technique that adaptively adjusts neural network bias parameters to ensure appropriate activation sparsity. We theoretically \highlight{prove that this algorithm correctly recovers all monosemantic features} when input data is sampled from our proposed statistical model. Furthermore, we develop an improved empirical variant, Group Bias Adaptation (GBA), and \highlight{demonstrate its superior performance against benchmark methods when applied to LLMs with up to 1.5 billion parameters}. This work represents a foundational step in demystifying SAE training by providing the first SAE algorithm with theoretical recovery guarantees, thereby advancing the development of more transparent and trustworthy AI systems through enhanced mechanistic interpretability.
comment: 136 pages, 21 figures
☆ Arctic Long Sequence Training: Scalable And Efficient Training For Multi-Million Token Sequences
Long sequences are critical for applications like RAG, long document summarization, multi-modality, etc., and modern LLMs, like Llama 4 Scout, support max sequence length of up to 10 million tokens. However, outside of enterprise labs, long sequence training is challenging for the AI community with limited system support in the open-source space. Out-of-box, even on a modern NVIDIA H100 80GB GPU cluster, training Llama 8B model with sequence over 32K runs out of memory on a basic Hugging Face (HF) model due to two reasons: i) LLM training workloads are not optimized to fully leverage a single GPU memory, ii) existing solutions for leveraging multiple GPU memory are not easily available to HF models, making long sequence training inaccessible. We address this with Arctic Long Sequence Training (ALST). It offers a combination of attention-agnostic single GPU and multi-GPU memory optimizations, that enables it to support out-of-box training of multi-million sequence length for a wide variety of HF models. ALST supports training Meta's Llama 8B model with 500K sequence length on a single H100 GPU, 3.7M on a single 8xH100 GPU node, and over 15M on a 4 node cluster, an increase of over 400x compared to the 32K baseline for the latter. ALST is fully compatible with HF models and open-sourced via Deepspeed https://www.deepspeed.ai/tutorials/ulysses-alst-sequence-pallellism/ and Arctic Training https://github.com/snowflakedb/ArcticTraining/blob/main/projects/sequence-parallelism/README.md.
comment: 19 pages, 13 figures
☆ Mapping Farmed Landscapes from Remote Sensing
Effective management of agricultural landscapes is critical for meeting global biodiversity targets, but efforts are hampered by the absence of detailed, large-scale ecological maps. To address this, we introduce Farmscapes, the first large-scale (covering most of England), high-resolution (25cm) map of rural landscape features, including ecologically vital elements like hedgerows, woodlands, and stone walls. This map was generated using a deep learning segmentation model trained on a novel, dataset of 942 manually annotated tiles derived from aerial imagery. Our model accurately identifies key habitats, achieving high f1-scores for woodland (96\%) and farmed land (95\%), and demonstrates strong capability in segmenting linear features, with an F1-score of 72\% for hedgerows. By releasing the England-wide map on Google Earth Engine, we provide a powerful, open-access tool for ecologists and policymakers. This work enables data-driven planning for habitat restoration, supports the monitoring of initiatives like the EU Biodiversity Strategy, and lays the foundation for advanced analysis of landscape connectivity.
☆ Quantum-Informed Contrastive Learning with Dynamic Mixup Augmentation for Class-Imbalanced Expert Systems
Expert systems often operate in domains characterized by class-imbalanced tabular data, where detecting rare but critical instances is essential for safety and reliability. While conventional approaches, such as cost-sensitive learning, oversampling, and graph neural networks, provide partial solutions, they suffer from drawbacks like overfitting, label noise, and poor generalization in low-density regions. To address these challenges, we propose QCL-MixNet, a novel Quantum-Informed Contrastive Learning framework augmented with k-nearest neighbor (kNN) guided dynamic mixup for robust classification under imbalance. QCL-MixNet integrates three core innovations: (i) a Quantum Entanglement-inspired layer that models complex feature interactions through sinusoidal transformations and gated attention, (ii) a sample-aware mixup strategy that adaptively interpolates feature representations of semantically similar instances to enhance minority class representation, and (iii) a hybrid loss function that unifies focal reweighting, supervised contrastive learning, triplet margin loss, and variance regularization to improve both intra-class compactness and inter-class separability. Extensive experiments on 18 real-world imbalanced datasets (binary and multi-class) demonstrate that QCL-MixNet consistently outperforms 20 state-of-the-art machine learning, deep learning, and GNN-based baselines in macro-F1 and recall, often by substantial margins. Ablation studies further validate the critical role of each architectural component. Our results establish QCL-MixNet as a new benchmark for tabular imbalance handling in expert systems. Theoretical analyses reinforce its expressiveness, generalization, and optimization robustness.
☆ Constant Stepsize Local GD for Logistic Regression: Acceleration by Instability ICML 2025
Existing analysis of Local (Stochastic) Gradient Descent for heterogeneous objectives requires stepsizes $\eta \leq 1/K$ where $K$ is the communication interval, which ensures monotonic decrease of the objective. In contrast, we analyze Local Gradient Descent for logistic regression with separable, heterogeneous data using any stepsize $\eta > 0$. With $R$ communication rounds and $M$ clients, we show convergence at a rate $\mathcal{O}(1/\eta K R)$ after an initial unstable phase lasting for $\widetilde{\mathcal{O}}(\eta K M)$ rounds. This improves upon the existing $\mathcal{O}(1/R)$ rate for general smooth, convex objectives. Our analysis parallels the single machine analysis of~\cite{wu2024large} in which instability is caused by extremely large stepsizes, but in our setting another source of instability is large local updates with heterogeneous objectives.
comment: ICML 2025
☆ Membership Inference Attacks as Privacy Tools: Reliability, Disparity and Ensemble
Membership inference attacks (MIAs) pose a significant threat to the privacy of machine learning models and are widely used as tools for privacy assessment, auditing, and machine unlearning. While prior MIA research has primarily focused on performance metrics such as AUC, accuracy, and TPR@low FPR - either by developing new methods to enhance these metrics or using them to evaluate privacy solutions - we found that it overlooks the disparities among different attacks. These disparities, both between distinct attack methods and between multiple instantiations of the same method, have crucial implications for the reliability and completeness of MIAs as privacy evaluation tools. In this paper, we systematically investigate these disparities through a novel framework based on coverage and stability analysis. Extensive experiments reveal significant disparities in MIAs, their potential causes, and their broader implications for privacy evaluation. To address these challenges, we propose an ensemble framework with three distinct strategies to harness the strengths of state-of-the-art MIAs while accounting for their disparities. This framework not only enables the construction of more powerful attacks but also provides a more robust and comprehensive methodology for privacy evaluation.
☆ Comparison of ConvNeXt and Vision-Language Models for Breast Density Assessment in Screening Mammography
Mammographic breast density classification is essential for cancer risk assessment but remains challenging due to subjective interpretation and inter-observer variability. This study compares multimodal and CNN-based methods for automated classification using the BI-RADS system, evaluating BioMedCLIP and ConvNeXt across three learning scenarios: zero-shot classification, linear probing with textual descriptions, and fine-tuning with numerical labels. Results show that zero-shot classification achieved modest performance, while the fine-tuned ConvNeXt model outperformed the BioMedCLIP linear probe. Although linear probing demonstrated potential with pretrained embeddings, it was less effective than full fine-tuning. These findings suggest that despite the promise of multimodal learning, CNN-based models with end-to-end fine-tuning provide stronger performance for specialized medical imaging. The study underscores the need for more detailed textual representations and domain-specific adaptations in future radiology applications.
comment: 6 pages, 4 figures
☆ Projecting U.S. coastal storm surge risks and impacts with deep learning
Storm surge is one of the deadliest hazards posed by tropical cyclones (TCs), yet assessing its current and future risk is difficult due to the phenomenon's rarity and physical complexity. Recent advances in artificial intelligence applications to natural hazard modeling suggest a new avenue for addressing this problem. We utilize a deep learning storm surge model to efficiently estimate coastal surge risk in the United States from 900,000 synthetic TC events, accounting for projected changes in TC behavior and sea levels. The derived historical 100-year surge (the event with a 1% yearly exceedance probability) agrees well with historical observations and other modeling techniques. When coupled with an inundation model, we find that heightened TC intensities and sea levels by the end of the century result in a 50% increase in population at risk. Key findings include markedly heightened risk in Florida, and critical thresholds identified in Georgia and South Carolina.
☆ Toward Explainable Offline RL: Analyzing Representations in Intrinsically Motivated Decision Transformers
Elastic Decision Transformers (EDTs) have proved to be particularly successful in offline reinforcement learning, offering a flexible framework that unifies sequence modeling with decision-making under uncertainty. Recent research has shown that incorporating intrinsic motivation mechanisms into EDTs improves performance across exploration tasks, yet the representational mechanisms underlying these improvements remain unexplored. In this paper, we introduce a systematic post-hoc explainability framework to analyze how intrinsic motivation shapes learned embeddings in EDTs. Through statistical analysis of embedding properties (including covariance structure, vector magnitudes, and orthogonality), we reveal that different intrinsic motivation variants create fundamentally different representational structures. Our analysis demonstrates environment-specific correlation patterns between embedding metrics and performance that explain why intrinsic motivation improves policy learning. These findings show that intrinsic motivation operates beyond simple exploration bonuses, acting as a representational prior that shapes embedding geometry in biologically plausible ways, creating environment-specific organizational structures that facilitate better decision-making.
☆ Bridging Unsupervised and Semi-Supervised Anomaly Detection: A Theoretically-Grounded and Practical Framework with Synthetic Anomalies
Anomaly detection (AD) is a critical task across domains such as cybersecurity and healthcare. In the unsupervised setting, an effective and theoretically-grounded principle is to train classifiers to distinguish normal data from (synthetic) anomalies. We extend this principle to semi-supervised AD, where training data also include a limited labeled subset of anomalies possibly present in test time. We propose a theoretically-grounded and empirically effective framework for semi-supervised AD that combines known and synthetic anomalies during training. To analyze semi-supervised AD, we introduce the first mathematical formulation of semi-supervised AD, which generalizes unsupervised AD. Here, we show that synthetic anomalies enable (i) better anomaly modeling in low-density regions and (ii) optimal convergence guarantees for neural network classifiers -- the first theoretical result for semi-supervised AD. We empirically validate our framework on five diverse benchmarks, observing consistent performance gains. These improvements also extend beyond our theoretical framework to other classification-based AD methods, validating the generalizability of the synthetic anomaly principle in AD.
☆ A Hybrid Neural Network -- Polynomial Series Scheme for Learning Invariant Manifolds of Discrete Dynamical Systems
We propose a hybrid machine learning scheme to learn -- in physics-informed and numerical analysis-informed fashion -- invariant manifolds (IM) of discrete maps for constructing reduced-order models (ROMs) for dynamical systems. The proposed scheme combines polynomial series with shallow neural networks, exploiting the complementary strengths of both approaches. Polynomials enable an efficient and accurate modeling of ROMs with guaranteed local exponential convergence rate around the fixed point, where, under certain assumptions, the IM is demonstrated to be analytic. Neural networks provide approximations to more complex structures beyond the reach of the polynomials' convergence. We evaluate the efficiency of the proposed scheme using three benchmark examples, examining convergence behavior, numerical approximation accuracy, and computational training cost. Additionally, we compare the IM approximations obtained solely with neural networks and with polynomial expansions. We demonstrate that the proposed hybrid scheme outperforms both pure polynomial approximations (power series, Legendre and Chebyshev polynomials) and standalone shallow neural network approximations in terms of numerical approximation accuracy.
comment: 36 pages (31 pages of main text and Appendix, 5 of Supplement), 8 Figures (6 in the main text and Appendix and 2 in the Supplement)
☆ Meta Optimality for Demographic Parity Constrained Regression via Post-Processing ICML2025
We address the regression problem under the constraint of demographic parity, a commonly used fairness definition. Recent studies have revealed fair minimax optimal regression algorithms, the most accurate algorithms that adhere to the fairness constraint. However, these analyses are tightly coupled with specific data generation models. In this paper, we provide meta-theorems that can be applied to various situations to validate the fair minimax optimality of the corresponding regression algorithms. Furthermore, we demonstrate that fair minimax optimal regression can be achieved through post-processing methods, allowing researchers and practitioners to focus on improving conventional regression techniques, which can then be efficiently adapted for fair regression.
comment: ICML2025
☆ Rademacher learning rates for iterated random functions
Most existing literature on supervised machine learning assumes that the training dataset is drawn from an i.i.d. sample. However, many real-world problems exhibit temporal dependence and strong correlations between the marginal distributions of the data-generating process, suggesting that the i.i.d. assumption is often unrealistic. In such cases, models naturally include time-series processes with mixing properties, as well as irreducible and aperiodic ergodic Markov chains. Moreover, the learning rates typically obtained in these settings are independent of the data distribution, which can lead to restrictive choices of hypothesis classes and suboptimal sample complexities for the learning algorithm. In this article, we consider the case where the training dataset is generated by an iterated random function (i.e., an iteratively defined time-homogeneous Markov chain) that is not necessarily irreducible or aperiodic. Under the assumption that the governing function is contractive with respect to its first argument and subject to certain regularity conditions on the hypothesis class, we first establish a uniform convergence result for the corresponding sample error. We then demonstrate the learnability of the approximate empirical risk minimization algorithm and derive its learning rate bound. Both rates are data-distribution dependent, expressed in terms of the Rademacher complexities of the underlying hypothesis class, allowing them to more accurately reflect the properties of the data-generating distribution.
☆ ReinDSplit: Reinforced Dynamic Split Learning for Pest Recognition in Precision Agriculture
To empower precision agriculture through distributed machine learning (DML), split learning (SL) has emerged as a promising paradigm, partitioning deep neural networks (DNNs) between edge devices and servers to reduce computational burdens and preserve data privacy. However, conventional SL frameworks' one-split-fits-all strategy is a critical limitation in agricultural ecosystems where edge insect monitoring devices exhibit vast heterogeneity in computational power, energy constraints, and connectivity. This leads to straggler bottlenecks, inefficient resource utilization, and compromised model performance. Bridging this gap, we introduce ReinDSplit, a novel reinforcement learning (RL)-driven framework that dynamically tailors DNN split points for each device, optimizing efficiency without sacrificing accuracy. Specifically, a Q-learning agent acts as an adaptive orchestrator, balancing workloads and latency thresholds across devices to mitigate computational starvation or overload. By framing split layer selection as a finite-state Markov decision process, ReinDSplit convergence ensures that highly constrained devices contribute meaningfully to model training over time. Evaluated on three insect classification datasets using ResNet18, GoogleNet, and MobileNetV2, ReinDSplit achieves 94.31% accuracy with MobileNetV2. Beyond agriculture, ReinDSplit pioneers a paradigm shift in SL by harmonizing RL for resource efficiency, privacy, and scalability in heterogeneous environments.
☆ Adaptive Guidance Accelerates Reinforcement Learning of Reasoning Models
We study the process through which reasoning models trained with reinforcement learning on verifiable rewards (RLVR) can learn to solve new problems. We find that RLVR drives performance through two main means: (1) by compressing pass@$k$ into pass@1 and (2) via "capability gain" in which models learn to solve new problems that they previously could not solve even at high $k$. We find that while capability gain exists across model scales, learning to solve new problems is primarily driven through self-distillation. We demonstrate these findings across model scales ranging from 0.5B to 72B on >500,000 reasoning problems with prompts and verifiable final answers across math, science, and code domains. We further show that we can significantly improve pass@$k$ rates by leveraging natural language guidance for the model to consider within context while still requiring the model to derive a solution chain from scratch. Based of these insights, we derive $\text{Guide}$ - a new class of online training algorithms. $\text{Guide}$ adaptively incorporates hints into the model's context on problems for which all rollouts were initially incorrect and adjusts the importance sampling ratio for the "off-policy" trajectories in order to optimize the policy for contexts in which the hints are no longer present. We describe variants of $\text{Guide}$ for GRPO and PPO and empirically show that Guide-GRPO on 7B and 32B parameter models improves generalization over its vanilla counterpart with up to 4$\%$ macro-average improvement across math benchmarks. We include careful ablations to analyze $\text{Guide}$'s components and theoretically analyze Guide's learning efficiency.
☆ Branching Stein Variational Gradient Descent for sampling multimodal distributions
We propose a novel particle-based variational inference method designed to work with multimodal distributions. Our approach, referred to as Branched Stein Variational Gradient Descent (BSVGD), extends the classical Stein Variational Gradient Descent (SVGD) algorithm by incorporating a random branching mechanism that encourages the exploration of the state space. In this work, a theoretical guarantee for the convergence in distribution is presented, as well as numerical experiments to validate the suitability of our algorithm. Performance comparisons between the BSVGD and the SVGD are presented using the Wasserstein distance between samples and the corresponding computational times.
☆ Density-aware Walks for Coordinated Campaign Detection KDD 2025
Coordinated campaigns frequently exploit social media platforms by artificially amplifying topics, making inauthentic trends appear organic, and misleading users into engagement. Distinguishing these coordinated efforts from genuine public discourse remains a significant challenge due to the sophisticated nature of such attacks. Our work focuses on detecting coordinated campaigns by modeling the problem as a graph classification task. We leverage the recently introduced Large Engagement Networks (LEN) dataset, which contains over 300 networks capturing engagement patterns from both fake and authentic trends on Twitter prior to the 2023 Turkish elections. The graphs in LEN were constructed by collecting interactions related to campaigns that stemmed from ephemeral astroturfing. Established graph neural networks (GNNs) struggle to accurately classify campaign graphs, highlighting the challenges posed by LEN due to the large size of its networks. To address this, we introduce a new graph classification method that leverages the density of local network structures. We propose a random weighted walk (RWW) approach in which node transitions are biased by local density measures such as degree, core number, or truss number. These RWWs are encoded using the Skip-gram model, producing density-aware structural embeddings for the nodes. Training message-passing neural networks (MPNNs) on these density-aware embeddings yields superior results compared to the simpler node features available in the dataset, with nearly a 12\% and 5\% improvement in accuracy for binary and multiclass classification, respectively. Our findings demonstrate that incorporating density-aware structural encoding with MPNNs provides a robust framework for identifying coordinated inauthentic behavior on social media networks such as Twitter.
comment: 16 Pages. Accepted at ECML-PKDD 2025
☆ Logical Expressiveness of Graph Neural Networks with Hierarchical Node Individualization NeurIPS 2025
We propose and study Hierarchical Ego Graph Neural Networks (HEGNNs), an expressive extension of graph neural networks (GNNs) with hierarchical node individualization, inspired by the Individualization-Refinement paradigm for graph isomorphism testing. HEGNNs generalize subgraph-GNNs and form a hierarchy of increasingly expressive models that, in the limit, can distinguish graphs up to isomorphism. We provide a logical characterization of HEGNN node classifiers, with and without subgraph restrictions, using graded hybrid logic. This characterization enables us to relate the separating power of HEGNNs to that of higher-order GNNs, GNNs enriched with local homomorphism count features, and color refinement algorithms based on Individualization-Refinement. Our experimental results confirm the practical feasibility of HEGNNs and show benefits in comparison with traditional GNN architectures, both with and without local homomorphism count features.
comment: Submitted to NeurIPS 2025, 28 pages, 5 figures
☆ Few-Shot Learning for Industrial Time Series: A Comparative Analysis Using the Example of Screw-Fastening Process Monitoring
Few-shot learning (FSL) has shown promise in vision but remains largely unexplored for \emph{industrial} time-series data, where annotating every new defect is prohibitively expensive. We present a systematic FSL study on screw-fastening process monitoring, using a 2\,300-sample multivariate torque dataset that covers 16 uni- and multi-factorial defect types. Beyond benchmarking, we introduce a \textbf{label-aware episodic sampler} that collapses multi-label sequences into multiple single-label tasks, keeping the output dimensionality fixed while preserving combinatorial label information. Two FSL paradigms are investigated: the metric-based \emph{Prototypical Network} and the gradient-based \emph{Model-Agnostic Meta-Learning} (MAML), each paired with three backbones: 1D CNN, InceptionTime and the 341 M-parameter transformer \emph{Moment}. On 10-shot, 3-way evaluation, the InceptionTime + Prototypical Network combination achieves a \textbf{0.944 weighted F1} in the multi-class regime and \textbf{0.935} in the multi-label regime, outperforming finetuned Moment by up to 5.3\% while requiring two orders of magnitude fewer parameters and training time. Across all backbones, metric learning consistently surpasses MAML, and our label-aware sampling yields an additional 1.7\% F1 over traditional class-based sampling. These findings challenge the assumption that large foundation models are always superior: when data are scarce, lightweight CNN architectures augmented with simple metric learning not only converge faster but also generalize better. We release code, data splits and pre-trained weights to foster reproducible research and to catalyze the adoption of FSL in high-value manufacturing inspection.
☆ GITO: Graph-Informed Transformer Operator for Learning Complex Partial Differential Equations
We present a novel graph-informed transformer operator (GITO) architecture for learning complex partial differential equation systems defined on irregular geometries and non-uniform meshes. GITO consists of two main modules: a hybrid graph transformer (HGT) and a transformer neural operator (TNO). HGT leverages a graph neural network (GNN) to encode local spatial relationships and a transformer to capture long-range dependencies. A self-attention fusion layer integrates the outputs of the GNN and transformer to enable more expressive feature learning on graph-structured data. TNO module employs linear-complexity cross-attention and self-attention layers to map encoded input functions to predictions at arbitrary query locations, ensuring discretization invariance and enabling zero-shot super-resolution across any mesh. Empirical results on benchmark PDE tasks demonstrate that GITO outperforms existing transformer-based neural operators, paving the way for efficient, mesh-agnostic surrogate solvers in engineering applications.
☆ A Systematic Review of User-Centred Evaluation of Explainable AI in Healthcare
Despite promising developments in Explainable Artificial Intelligence, the practical value of XAI methods remains under-explored and insufficiently validated in real-world settings. Robust and context-aware evaluation is essential, not only to produce understandable explanations but also to ensure their trustworthiness and usability for intended users, but tends to be overlooked because of no clear guidelines on how to design an evaluation with users. This study addresses this gap with two main goals: (1) to develop a framework of well-defined, atomic properties that characterise the user experience of XAI in healthcare; and (2) to provide clear, context-sensitive guidelines for defining evaluation strategies based on system characteristics. We conducted a systematic review of 82 user studies, sourced from five databases, all situated within healthcare settings and focused on evaluating AI-generated explanations. The analysis was guided by a predefined coding scheme informed by an existing evaluation framework, complemented by inductive codes developed iteratively. The review yields three key contributions: (1) a synthesis of current evaluation practices, highlighting a growing focus on human-centred approaches in healthcare XAI; (2) insights into the interrelations among explanation properties; and (3) an updated framework and a set of actionable guidelines to support interdisciplinary teams in designing and implementing effective evaluation strategies for XAI systems tailored to specific application contexts.
☆ Enhancing interpretability of rule-based classifiers through feature graphs
In domains where transparency and trustworthiness are crucial, such as healthcare, rule-based systems are widely used and often preferred over black-box models for decision support systems due to their inherent interpretability. However, as rule-based models grow complex, discerning crucial features, understanding their interactions, and comparing feature contributions across different rule sets becomes challenging. To address this, we propose a comprehensive framework for estimating feature contributions in rule-based systems, introducing a graph-based feature visualisation strategy, a novel feature importance metric agnostic to rule-based predictors, and a distance metric for comparing rule sets based on feature contributions. By experimenting on two clinical datasets and four rule-based methods (decision trees, logic learning machines, association rules, and neural networks with rule extraction), we showcase our method's capability to uncover novel insights on the combined predictive value of clinical features, both at the dataset and class-specific levels. These insights can aid in identifying new risk factors, signature genes, and potential biomarkers, and determining the subset of patient information that should be prioritised to enhance diagnostic accuracy. Comparative analysis of the proposed feature importance score with state-of-the-art methods on 15 public benchmarks demonstrates competitive performance and superior robustness. The method implementation is available on GitHub: https://github.com/ChristelSirocchi/rule-graph.
☆ Beyond Shapley Values: Cooperative Games for the Interpretation of Machine Learning Models
Cooperative game theory has become a cornerstone of post-hoc interpretability in machine learning, largely through the use of Shapley values. Yet, despite their widespread adoption, Shapley-based methods often rest on axiomatic justifications whose relevance to feature attribution remains debatable. In this paper, we revisit cooperative game theory from an interpretability perspective and argue for a broader and more principled use of its tools. We highlight two general families of efficient allocations, the Weber and Harsanyi sets, that extend beyond Shapley values and offer richer interpretative flexibility. We present an accessible overview of these allocation schemes, clarify the distinction between value functions and aggregation rules, and introduce a three-step blueprint for constructing reliable and theoretically-grounded feature attributions. Our goal is to move beyond fixed axioms and provide the XAI community with a coherent framework to design attribution methods that are both meaningful and robust to shifting methodological trends.
☆ Scaling Algorithm Distillation for Continuous Control with Mamba
Algorithm Distillation (AD) was recently proposed as a new approach to perform In-Context Reinforcement Learning (ICRL) by modeling across-episodic training histories autoregressively with a causal transformer model. However, due to practical limitations induced by the attention mechanism, experiments were bottlenecked by the transformer's quadratic complexity and limited to simple discrete environments with short time horizons. In this work, we propose leveraging the recently proposed Selective Structured State Space Sequence (S6) models, which achieved state-of-the-art (SOTA) performance on long-range sequence modeling while scaling linearly in sequence length. Through four complex and continuous Meta Reinforcement Learning environments, we demonstrate the overall superiority of Mamba, a model built with S6 layers, over a transformer model for AD. Additionally, we show that scaling AD to very long contexts can improve ICRL performance and make it competitive even with a SOTA online meta RL baseline.
☆ Connecting phases of matter to the flatness of the loss landscape in analog variational quantum algorithms
Variational quantum algorithms (VQAs) promise near-term quantum advantage, yet parametrized quantum states commonly built from the digital gate-based approach often suffer from scalability issues such as barren plateaus, where the loss landscape becomes flat. We study an analog VQA ans\"atze composed of $M$ quenches of a disordered Ising chain, whose dynamics is native to several quantum simulation platforms. By tuning the disorder strength we place each quench in either a thermalized phase or a many-body-localized (MBL) phase and analyse (i) the ans\"atze's expressivity and (ii) the scaling of loss variance. Numerics shows that both phases reach maximal expressivity at large $M$, but barren plateaus emerge at far smaller $M$ in the thermalized phase than in the MBL phase. Exploiting this gap, we propose an MBL initialisation strategy: initialise the ans\"atze in the MBL regime at intermediate quench $M$, enabling an initial trainability while retaining sufficient expressivity for subsequent optimization. The results link quantum phases of matter and VQA trainability, and provide practical guidelines for scaling analog-hardware VQAs.
comment: 15+7 pages, 7+5 figures
☆ StaQ it! Growing neural networks for Policy Mirror Descent
In Reinforcement Learning (RL), regularization has emerged as a popular tool both in theory and practice, typically based either on an entropy bonus or a Kullback-Leibler divergence that constrains successive policies. In practice, these approaches have been shown to improve exploration, robustness and stability, giving rise to popular Deep RL algorithms such as SAC and TRPO. Policy Mirror Descent (PMD) is a theoretical framework that solves this general regularized policy optimization problem, however the closed-form solution involves the sum of all past Q-functions, which is intractable in practice. We propose and analyze PMD-like algorithms that only keep the last $M$ Q-functions in memory, and show that for finite and large enough $M$, a convergent algorithm can be derived, introducing no error in the policy update, unlike prior deep RL PMD implementations. StaQ, the resulting algorithm, enjoys strong theoretical guarantees and is competitive with deep RL baselines, while exhibiting less performance oscillation, paving the way for fully stable deep RL algorithms and providing a testbed for experimentation with Policy Mirror Descent.
comment: 44 pages, 12 figures
☆ Fake it till You Make it: Reward Modeling as Discriminative Prediction
An effective reward model plays a pivotal role in reinforcement learning for post-training enhancement of visual generative models. However, current approaches of reward modeling suffer from implementation complexity due to their reliance on extensive human-annotated preference data or meticulously engineered quality dimensions that are often incomplete and engineering-intensive. Inspired by adversarial training in generative adversarial networks (GANs), this paper proposes GAN-RM, an efficient reward modeling framework that eliminates manual preference annotation and explicit quality dimension engineering. Our method trains the reward model through discrimination between a small set of representative, unpaired target samples(denoted as Preference Proxy Data) and model-generated ordinary outputs, requiring only a few hundred target samples. Comprehensive experiments demonstrate our GAN-RM's effectiveness across multiple key applications including test-time scaling implemented as Best-of-N sample filtering, post-training approaches like Supervised Fine-Tuning (SFT) and Direct Preference Optimization (DPO).
☆ SatHealth: A Multimodal Public Health Dataset with Satellite-based Environmental Factors KDD 2025
Living environments play a vital role in the prevalence and progression of diseases, and understanding their impact on patient's health status becomes increasingly crucial for developing AI models. However, due to the lack of long-term and fine-grained spatial and temporal data in public and population health studies, most existing studies fail to incorporate environmental data, limiting the models' performance and real-world application. To address this shortage, we developed SatHealth, a novel dataset combining multimodal spatiotemporal data, including environmental data, satellite images, all-disease prevalences estimated from medical claims, and social determinants of health (SDoH) indicators. We conducted experiments under two use cases with SatHealth: regional public health modeling and personal disease risk prediction. Experimental results show that living environmental information can significantly improve AI models' performance and temporal-spatial generalizability on various tasks. Finally, we deploy a web-based application to provide an exploration tool for SatHealth and one-click access to both our data and regional environmental embedding to facilitate plug-and-play utilization. SatHealth is now published with data in Ohio, and we will keep updating SatHealth to cover the other parts of the US. With the web application and published code pipeline, our work provides valuable angles and resources to include environmental data in healthcare research and establishes a foundational framework for future research in environmental health informatics.
comment: 18 pages, 6 figures. To be published in SIGKDD 2025 Datasets and Benchmarks Track
♻ ☆ Deep Learning for Wildfire Risk Prediction: Integrating Remote Sensing and Environmental Data
Wildfires pose a significant threat to ecosystems, wildlife, and human communities, leading to habitat destruction, pollutant emissions, and biodiversity loss. Accurate wildfire risk prediction is crucial for mitigating these impacts and safeguarding both environmental and human health. This paper provides a comprehensive review of wildfire risk prediction methodologies, with a particular focus on deep learning approaches combined with remote sensing. We begin by defining wildfire risk and summarizing the geographical distribution of related studies. In terms of data, we analyze key predictive features, including fuel characteristics, meteorological and climatic conditions, socioeconomic factors, topography, and hydrology, while also reviewing publicly available wildfire prediction datasets derived from remote sensing. Additionally, we emphasize the importance of feature collinearity assessment and model interpretability to improve the understanding of prediction outcomes. Regarding methodology, we classify deep learning models into three primary categories: time-series forecasting, image segmentation, and spatiotemporal prediction, and further discuss methods for converting model outputs into risk classifications or probability-adjusted predictions. Finally, we identify the key challenges and limitations of current wildfire-risk prediction models and outline several research opportunities. These include integrating diverse remote sensing data, developing multimodal models, designing more computationally efficient architectures, and incorporating cross-disciplinary methods--such as coupling with numerical weather-prediction models--to enhance the accuracy and robustness of wildfire-risk assessments.
♻ ☆ FoMoH: A clinically meaningful foundation model evaluation for structured electronic health records
Foundation models hold significant promise in healthcare, given their capacity to extract meaningful representations independent of downstream tasks. This property has enabled state-of-the-art performance across several clinical applications trained on structured electronic health record (EHR) data, even in settings with limited labeled data, a prevalent challenge in healthcare. However, there is little consensus on these models' potential for clinical utility due to the lack of desiderata of comprehensive and meaningful tasks and sufficiently diverse evaluations to characterize the benefit over conventional supervised learning. To address this gap, we propose a suite of clinically meaningful tasks spanning patient outcomes, early prediction of acute and chronic conditions, including desiderata for robust evaluations. We evaluate state-of-the-art foundation models on EHR data consisting of 5 million patients from Columbia University Irving Medical Center (CUMC), a large urban academic medical center in New York City, across 14 clinically relevant tasks. We measure overall accuracy, calibration, and subpopulation performance to surface tradeoffs based on the choice of pre-training, tokenization, and data representation strategies. Our study aims to advance the empirical evaluation of structured EHR foundation models and guide the development of future healthcare foundation models.
♻ ☆ Heart Rate Classification in ECG Signals Using Machine Learning and Deep Learning
This study addresses the classification of heartbeats from ECG signals through two distinct approaches: traditional machine learning utilizing hand-crafted features and deep learning via transformed images of ECG beats. The dataset underwent preprocessing steps, including downsampling, filtering, and normalization, to ensure consistency and relevance for subsequent analysis. In the first approach, features such as heart rate variability (HRV), mean, variance, and RR intervals were extracted to train various classifiers, including SVM, Random Forest, AdaBoost, LSTM, Bi-directional LSTM, and LightGBM. The second approach involved transforming ECG signals into images using Gramian Angular Field (GAF), Markov Transition Field (MTF), and Recurrence Plots (RP), with these images subsequently classified using CNN architectures like VGG and Inception. Experimental results demonstrate that the LightGBM model achieved the highest performance, with an accuracy of 99% and an F1 score of 0.94, outperforming the image-based CNN approach (F1 score of 0.85). Models such as SVM and AdaBoost yielded significantly lower scores, indicating limited suitability for this task. The findings underscore the superior ability of hand-crafted features to capture temporal and morphological variations in ECG signals compared to image-based representations of individual beats. Future investigations may benefit from incorporating multi-lead ECG signals and temporal dependencies across successive beats to enhance classification accuracy further.
♻ ☆ Manifold Metric: A Loss Landscape Approach for Predicting Model Performance
Determining the optimal model for a given task often requires training multiple models from scratch, which becomes impractical as dataset and model sizes grow. A more efficient alternative is to expand smaller pre-trained models, but this approach is underutilized due to a limited understanding of its impact on the training dynamics. Existing methods for quantifying this impact have notable limitations, including computation cost. To address this, we introduce a new perspective based on the loss landscape, which has been shown to contain a manifold of linearly connected minima. Specifically, we propose a metric that estimates the size of this manifold to study the impact of model expansion. Our experiments reveal a strong correlation between performance gains and our manifold metric, enabling more informed model comparison and offering a first step toward a geometry-driven approach for reliable model expansion. Notably, our metric outperforms other baselines, even when different types of expansion with equivalent number of parameters are applied to a model.
comment: Published at 4th Conference on Lifelong Learning Agents (CoLLAs), 2025
♻ ☆ On Synthesizing Data for Context Attribution in Question Answering
Question Answering (QA) accounts for a significant portion of LLM usage "in the wild". However, LLMs sometimes produce false or misleading responses, also known as "hallucinations". Therefore, grounding the generated answers in contextually provided information -- i.e., providing evidence for the generated text -- is paramount for LLMs' trustworthiness. Providing this information is the task of context attribution. In this paper, we systematically study LLM-based approaches for this task, namely we investigate (i) zero-shot inference, (ii) LLM ensembling, and (iii) fine-tuning of small LMs on synthetic data generated by larger LLMs. Our key contribution is SynQA: a novel generative strategy for synthesizing context attribution data. Given selected context sentences, an LLM generates QA pairs that are supported by these sentences. This leverages LLMs' natural strengths in text generation while ensuring clear attribution paths in the synthetic training data. We show that the attribution data synthesized via SynQA is highly effective for fine-tuning small LMs for context attribution in different QA tasks and domains. Finally, with a user study, we validate the usefulness of small LMs (fine-tuned on synthetic data from SynQA) in context attribution for QA.
♻ ☆ Data-Driven Soil Organic Carbon Sampling: Integrating Spectral Clustering with Conditioned Latin Hypercube Optimization
Soil organic carbon (SOC) monitoring often relies on selecting representative field sampling locations based on environmental covariates. We propose a novel hybrid methodology that integrates spectral clustering - an unsupervised machine learning technique with conditioned Latin hypercube sampling (cLHS) to enhance the representativeness of SOC sampling. In our approach, spectral clustering partitions the study area into $K$ homogeneous zones using multivariate covariate data, and cLHS is then applied within each zone to select sampling locations that collectively capture the full diversity of environmental conditions. This hybrid spectral-cLHS method ensures that even minor but important environmental clusters are sampled, addressing a key limitation of vanilla cLHS which can overlook such areas. We demonstrate on a real SOC mapping dataset that spectral-cLHS provides more uniform coverage of covariate feature space and spatial heterogeneity than standard cLHS. This improved sampling design has the potential to yield more accurate SOC predictions by providing better-balanced training data for machine learning models.
♻ ☆ Optimistic Q-learning for average reward and episodic reinforcement learning
We present an optimistic Q-learning algorithm for regret minimization in average reward reinforcement learning under an additional assumption on the underlying MDP that for all policies, the time to visit some frequent state $s_0$ is finite and upper bounded by $H$, either in expectation or with constant probability. Our setting strictly generalizes the episodic setting and is significantly less restrictive than the assumption of bounded hitting time \textit{for all states} made by most previous literature on model-free algorithms in average reward settings. We demonstrate a regret bound of $\tilde{O}(H^5 S\sqrt{AT})$, where $S$ and $A$ are the numbers of states and actions, and $T$ is the horizon. A key technical novelty of our work is the introduction of an $\overline{L}$ operator defined as $\overline{L} v = \frac{1}{H} \sum_{h=1}^H L^h v$ where $L$ denotes the Bellman operator. Under the given assumption, we show that the $\overline{L}$ operator has a strict contraction (in span) even in the average-reward setting where the discount factor is $1$. Our algorithm design uses ideas from episodic Q-learning to estimate and apply this operator iteratively. Thus, we provide a unified view of regret minimization in episodic and non-episodic settings, which may be of independent interest.
comment: 37 pages, simplified proofs
♻ ☆ Gatekeeper: Improving Model Cascades Through Confidence Tuning ICML
Large-scale machine learning models deliver strong performance across a wide range of tasks but come with significant computational and resource constraints. To mitigate these challenges, local smaller models are often deployed alongside larger models, relying on routing and deferral mechanisms to offload complex tasks. However, existing approaches inadequately balance the capabilities of these models, often resulting in unnecessary deferrals or sub-optimal resource usage. In this work we introduce a novel loss function called Gatekeeper for calibrating smaller models in cascade setups. Our approach fine-tunes the smaller model to confidently handle tasks it can perform correctly while deferring complex tasks to the larger model. Moreover, it incorporates a mechanism for managing the trade-off between model performance and deferral accuracy, and is broadly applicable across various tasks and domains without any architectural changes. We evaluate our method on encoder-only, decoder-only, and encoder-decoder architectures. Experiments across image classification, language modeling, and vision-language tasks show that our approach substantially improves deferral performance.
comment: Presented at the TTODLer-FM workshop at the International Conference on Machine Learning (ICML) 2025
♻ ☆ Consistency of Neural Causal Partial Identification
Recent progress in Neural Causal Models (NCMs) showcased how identification and partial identification of causal effects can be automatically carried out via training of neural generative models that respect the constraints encoded in a given causal graph [Xia et al. 2022, Balazadeh et al. 2022]. However, formal consistency of these methods has only been proven for the case of discrete variables or only for linear causal models. In this work, we prove the consistency of partial identification via NCMs in a general setting with both continuous and categorical variables. Further, our results highlight the impact of the design of the underlying neural network architecture in terms of depth and connectivity as well as the importance of applying Lipschitz regularization in the training phase. In particular, we provide a counterexample showing that without Lipschitz regularization this method may not be asymptotically consistent. Our results are enabled by new results on the approximability of Structural Causal Models (SCMs) via neural generative models, together with an analysis of the sample complexity of the resulting architectures and how that translates into an error in the constrained optimization problem that defines the partial identification bounds.
comment: 60 pages, 8 figures, accepted by Neurips 2024
♻ ☆ Synthetic-Powered Predictive Inference
Conformal prediction is a framework for predictive inference with a distribution-free, finite-sample guarantee. However, it tends to provide uninformative prediction sets when calibration data are scarce. This paper introduces Synthetic-powered predictive inference (SPI), a novel framework that incorporates synthetic data -- e.g., from a generative model -- to improve sample efficiency. At the core of our method is a score transporter: an empirical quantile mapping that aligns nonconformity scores from trusted, real data with those from synthetic data. By carefully integrating the score transporter into the calibration process, SPI provably achieves finite-sample coverage guarantees without making any assumptions about the real and synthetic data distributions. When the score distributions are well aligned, SPI yields substantially tighter and more informative prediction sets than standard conformal prediction. Experiments on image classification -- augmenting data with synthetic diffusion-model generated images -- and on tabular regression demonstrate notable improvements in predictive efficiency in data-scarce settings.
♻ ☆ Online Optimization for Learning to Communicate over Time-Correlated Channels
Machine learning techniques have garnered great interest in designing communication systems owing to their capacity in tackling with channel uncertainty. To provide theoretical guarantees for learning-based communication systems, some recent works analyze generalization bounds for devised methods based on the assumption of Independently and Identically Distributed (I.I.D.) channels, a condition rarely met in practical scenarios. In this paper, we drop the I.I.D. channel assumption and study an online optimization problem of learning to communicate over time-correlated channels. To address this issue, we further focus on two specific tasks: optimizing channel decoders for time-correlated fading channels and selecting optimal codebooks for time-correlated additive noise channels. For utilizing temporal dependence of considered channels to better learn communication systems, we develop two online optimization algorithms based on the optimistic online mirror descent framework. Furthermore, we provide theoretical guarantees for proposed algorithms via deriving sub-linear regret bound on the expected error probability of learned systems. Extensive simulation experiments have been conducted to validate that our presented approaches can leverage the channel correlation to achieve a lower average symbol error rate compared to baseline methods, consistent with our theoretical findings.
comment: 15 pages, 6 figures, submitted for possible journal publication
♻ ☆ AirIO: Learning Inertial Odometry with Enhanced IMU Feature Observability
Inertial odometry (IO) using only Inertial Measurement Units (IMUs) offers a lightweight and cost-effective solution for Unmanned Aerial Vehicle (UAV) applications, yet existing learning-based IO models often fail to generalize to UAVs due to the highly dynamic and non-linear-flight patterns that differ from pedestrian motion. In this work, we identify that the conventional practice of transforming raw IMU data to global coordinates undermines the observability of critical kinematic information in UAVs. By preserving the body-frame representation, our method achieves substantial performance improvements, with a 66.7% average increase in accuracy across three datasets. Furthermore, explicitly encoding attitude information into the motion network results in an additional 23.8% improvement over prior results. Combined with a data-driven IMU correction model (AirIMU) and an uncertainty-aware Extended Kalman Filter (EKF), our approach ensures robust state estimation under aggressive UAV maneuvers without relying on external sensors or control inputs. Notably, our method also demonstrates strong generalizability to unseen data not included in the training set, underscoring its potential for real-world UAV applications.
♻ ☆ Unsupervised anomaly detection on cybersecurity data streams: a case with BETH dataset
In modern world the importance of cybersecurity of various systems is increasing from year to year. The number of information security events generated by information security tools grows up with the development of the IT infrastructure. At the same time, the cyber threat landscape does not remain constant, and monitoring should take into account both already known attack indicators and those for which there are no signature rules in information security products of various classes yet. Detecting anomalies in large cybersecurity data streams is a complex task that, if properly addressed, can allow for timely response to atypical and previously unknown cyber threats. The possibilities of using of offline algorithms may be limited for a number of reasons related to the time of training and the frequency of retraining. Using stream learning algorithms for solving this task is capable of providing near-real-time data processing. This article examines the results of ten algorithms from three Python stream machine-learning libraries on BETH dataset with cybersecurity events, which contains information about the creation, cloning, and destruction of operating system processes collected using extended eBPF. ROC-AUC metric and total processing time of processing with these algorithms are presented. Several combinations of features and the order of events are considered. In conclusion, some mentions are given about the most promising algorithms and possible directions for further research are outlined.
♻ ☆ A Dataless Reinforcement Learning Approach to Rounding Hyperplane Optimization for Max-Cut
The Maximum Cut (MaxCut) problem is NP-Complete, and obtaining its optimal solution is NP-hard in the worst case. As a result, heuristic-based algorithms are commonly used, though their design often requires significant domain expertise. More recently, learning-based methods trained on large (un)labeled datasets have been proposed; however, these approaches often struggle with generalizability and scalability. A well-known approximation algorithm for MaxCut is the Goemans-Williamson (GW) algorithm, which relaxes the Quadratic Unconstrained Binary Optimization (QUBO) formulation into a semidefinite program (SDP). The GW algorithm then applies hyperplane rounding by uniformly sampling a random hyperplane to convert the SDP solution into binary node assignments. In this paper, we propose a training-data-free approach based on a non-episodic reinforcement learning formulation, in which an agent learns to select improved rounding hyperplanes that yield better cuts than those produced by the GW algorithm. By optimizing over a Markov Decision Process (MDP), our method consistently achieves better cuts across large-scale graphs with varying densities and degree distributions.
♻ ☆ Quantum computing and artificial intelligence: status and perspectives
This white paper discusses and explores the various points of intersection between quantum computing and artificial intelligence (AI). It describes how quantum computing could support the development of innovative AI solutions. It also examines use cases of classical AI that can empower research and development in quantum technologies, with a focus on quantum computing and quantum sensing. The purpose of this white paper is to provide a long-term research agenda aimed at addressing foundational questions about how AI and quantum computing interact and benefit one another. It concludes with a set of recommendations and challenges, including how to orchestrate the proposed theoretical work, align quantum AI developments with quantum hardware roadmaps, estimate both classical and quantum resources - especially with the goal of mitigating and optimizing energy consumption - advance this emerging hybrid software engineering discipline, and enhance European industrial competitiveness while considering societal implications.
comment: 32 pages, 3 figures
♻ ☆ Affordable AI Assistants with Knowledge Graph of Thoughts
Large Language Models (LLMs) are revolutionizing the development of AI assistants capable of performing diverse tasks across domains. However, current state-of-the-art LLM-driven agents face significant challenges, including high operational costs and limited success rates on complex benchmarks like GAIA. To address these issues, we propose Knowledge Graph of Thoughts (KGoT), an innovative AI assistant architecture that integrates LLM reasoning with dynamically constructed knowledge graphs (KGs). KGoT extracts and structures task-relevant knowledge into a dynamic KG representation, iteratively enhanced through external tools such as math solvers, web crawlers, and Python scripts. Such structured representation of task-relevant knowledge enables low-cost models to solve complex tasks effectively while also minimizing bias and noise. For example, KGoT achieves a 29% improvement in task success rates on the GAIA benchmark compared to Hugging Face Agents with GPT-4o mini. Moreover, harnessing a smaller model dramatically reduces operational costs by over 36x compared to GPT-4o. Improvements for other models (e.g., Qwen2.5-32B and Deepseek-R1-70B) and benchmarks (e.g., SimpleQA) are similar. KGoT offers a scalable, affordable, versatile, and high-performing solution for AI assistants.
♻ ☆ Efficient Numerical Integration in Reproducing Kernel Hilbert Spaces via Leverage Scores Sampling
In this work we consider the problem of numerical integration, i.e., approximating integrals with respect to a target probability measure using only pointwise evaluations of the integrand. We focus on the setting in which the target distribution is only accessible through a set of $n$ i.i.d. observations, and the integrand belongs to a reproducing kernel Hilbert space. We propose an efficient procedure which exploits a small i.i.d. random subset of $m
comment: 47 pages, 5 figures. Accepted for publication in JMLR
♻ ☆ Fast Second-Order Online Kernel Learning through Incremental Matrix Sketching and Decomposition IJCAI 2025
Online Kernel Learning (OKL) has attracted considerable research interest due to its promising predictive performance in streaming environments. Second-order approaches are particularly appealing for OKL as they often offer substantial improvements in regret guarantees. However, existing second-order OKL approaches suffer from at least quadratic time complexity with respect to the pre-set budget, rendering them unsuitable for meeting the real-time demands of large-scale streaming recommender systems. The singular value decomposition required to obtain explicit feature mapping is also computationally expensive due to the complete decomposition process. Moreover, the absence of incremental updates to manage approximate kernel space causes these algorithms to perform poorly in adversarial environments and real-world streaming recommendation datasets. To address these issues, we propose FORKS, a fast incremental matrix sketching and decomposition approach tailored for second-order OKL. FORKS constructs an incremental maintenance paradigm for second-order kernelized gradient descent, which includes incremental matrix sketching for kernel approximation and incremental matrix decomposition for explicit feature mapping construction. Theoretical analysis demonstrates that FORKS achieves a logarithmic regret guarantee on par with other second-order approaches while maintaining a linear time complexity w.r.t. the budget, significantly enhancing efficiency over existing approaches. We validate the performance of FORKS through extensive experiments conducted on real-world streaming recommendation datasets, demonstrating its superior scalability and robustness against adversarial attacks.
comment: Accepted by IJCAI 2025
♻ ☆ LOB-Bench: Benchmarking Generative AI for Finance -- an Application to Limit Order Book Data
While financial data presents one of the most challenging and interesting sequence modelling tasks due to high noise, heavy tails, and strategic interactions, progress in this area has been hindered by the lack of consensus on quantitative evaluation paradigms. To address this, we present LOB-Bench, a benchmark, implemented in python, designed to evaluate the quality and realism of generative message-by-order data for limit order books (LOB) in the LOBSTER format. Our framework measures distributional differences in conditional and unconditional statistics between generated and real LOB data, supporting flexible multivariate statistical evaluation. The benchmark also includes features commonly used LOB statistics such as spread, order book volumes, order imbalance, and message inter-arrival times, along with scores from a trained discriminator network. Lastly, LOB-Bench contains "market impact metrics", i.e. the cross-correlations and price response functions for specific events in the data. We benchmark generative autoregressive state-space models, a (C)GAN, as well as a parametric LOB model and find that the autoregressive GenAI approach beats traditional model classes.
♻ ☆ Efficient Unsupervised Shortcut Learning Detection and Mitigation in Transformers
Shortcut learning, i.e., a model's reliance on undesired features not directly relevant to the task, is a major challenge that severely limits the applications of machine learning algorithms, particularly when deploying them to assist in making sensitive decisions, such as in medical diagnostics. In this work, we leverage recent advancements in machine learning to create an unsupervised framework that is capable of both detecting and mitigating shortcut learning in transformers. We validate our method on multiple datasets. Results demonstrate that our framework significantly improves both worst-group accuracy (samples misclassified due to shortcuts) and average accuracy, while minimizing human annotation effort. Moreover, we demonstrate that the detected shortcuts are meaningful and informative to human experts, and that our framework is computationally efficient, allowing it to be run on consumer hardware.
♻ ☆ Looking around you: external information enhances representations for event sequences
Representation learning produces models in different domains, such as store purchases, client transactions, and general people's behaviour. However, such models for event sequences usually process each sequence in isolation, ignoring context from ones that co-occur in time. This limitation is particularly problematic in domains with fast-evolving conditions, like finance and e-commerce, or when certain sequences lack recent events. We develop a method that aggregates information from multiple user representations, augmenting a specific user for a scenario of multiple co-occurring event sequences, achieving better quality than processing each sequence independently. Our study considers diverse aggregation approaches, ranging from simple pooling techniques to trainable attention-based Kernel attention aggregation, that can highlight more complex information flow from other users. The proposed methods operate on top of an existing encoder and support its efficient fine-tuning. Across six diverse event sequence datasets (finance, e-commerce, education, etc.) and downstream tasks, Kernel attention improves ROC-AUC scores, both with and without fine-tuning, while mean pooling yields a smaller but still significant gain.
♻ ☆ Improved Online Confidence Bounds for Multinomial Logistic Bandits ICML 2025
In this paper, we propose an improved online confidence bound for multinomial logistic (MNL) models and apply this result to MNL bandits, achieving variance-dependent optimal regret. Recently, Lee & Oh (2024) established an online confidence bound for MNL models and achieved nearly minimax-optimal regret in MNL bandits. However, their results still depend on the norm-boundedness of the unknown parameter $B$ and the maximum size of possible outcomes $K$. To address this, we first derive an online confidence bound of $O\left(\sqrt{d \log t} + B \sqrt{d} \right)$, which is a significant improvement over the previous bound of $O (B \sqrt{d} \log t \log K )$ (Lee & Oh, 2024). This is mainly achieved by establishing tighter self-concordant properties of the MNL loss and applying Ville's inequality to bound the estimation error. Using this new online confidence bound, we propose a constant-time algorithm, OFU-MNL++, which achieves a variance-dependent regret bound of $O \Big( d \log T \sqrt{ \sum_{t=1}^T \sigma_t^2 } \Big) $ for sufficiently large $T$, where $\sigma_t^2$ denotes the variance of the rewards at round $t$, $d$ is the dimension of the contexts, and $T$ is the total number of rounds. Furthermore, we introduce a Maximum Likelihood Estimation (MLE)-based algorithm, OFU-MN$^2$L, which achieves an anytime poly(B)-free regret of $O \Big( d \log (BT) \sqrt{ \sum_{t=1}^T \sigma_t^2 } \Big) $.
comment: Accepted at ICML 2025
♻ ☆ Deep Linear Network Training Dynamics from Random Initialization: Data, Width, Depth, and Hyperparameter Transfer ICML
We theoretically characterize gradient descent dynamics in deep linear networks trained at large width from random initialization and on large quantities of random data. Our theory captures the ``wider is better" effect of mean-field/maximum-update parameterized networks as well as hyperparameter transfer effects, which can be contrasted with the neural-tangent parameterization where optimal learning rates shift with model width. We provide asymptotic descriptions of both non-residual and residual neural networks, the latter of which enables an infinite depth limit when branches are scaled as $1/\sqrt{\text{depth}}$. We also compare training with one-pass stochastic gradient descent to the dynamics when training data are repeated at each iteration. Lastly, we show that this model recovers the accelerated power law training dynamics for power law structured data in the rich regime observed in recent works.
comment: ICML Camera Ready
♻ ☆ Metritocracy: Representative Metrics for Lite Benchmarks
A common problem in LLM evaluation is how to choose a subset of metrics from a full suite of possible metrics. Subset selection is usually done for efficiency or interpretability reasons, and the goal is often to select a ``representative'' subset of metrics. However, ``representative'' is rarely clearly defined. In this work, we use ideas from social choice theory to formalize two notions of representation for the selection of a subset of evaluation metrics. We first introduce positional representation, which guarantees every alternative is sufficiently represented at every position cutoff. We then introduce positional proportionality, which guarantees no alternative is proportionally over- or under-represented by more than a small error at any position. We prove upper and lower bounds on the smallest number of metrics needed to guarantee either of these properties in the worst case. We also study a generalized form of each property that allows for additional input on groups of metrics that must be represented. Finally, we tie theory to practice through real-world case studies on both LLM evaluation and hospital quality evaluation.
♻ ☆ SAFE: Finding Sparse and Flat Minima to Improve Pruning ICML 2025
Sparsifying neural networks often suffers from seemingly inevitable performance degradation, and it remains challenging to restore the original performance despite much recent progress. Motivated by recent studies in robust optimization, we aim to tackle this problem by finding subnetworks that are both sparse and flat at the same time. Specifically, we formulate pruning as a sparsity-constrained optimization problem where flatness is encouraged as an objective. We solve it explicitly via an augmented Lagrange dual approach and extend it further by proposing a generalized projection operation, resulting in novel pruning methods called SAFE and its extension, SAFE$^+$. Extensive evaluations on standard image classification and language modeling tasks reveal that SAFE consistently yields sparse networks with improved generalization performance, which compares competitively to well-established baselines. In addition, SAFE demonstrates resilience to noisy data, making it well-suited for real-world conditions.
comment: ICML 2025
♻ ☆ Boosting Generalization in Diffusion-Based Neural Combinatorial Solver via Inference Time Adaptation
Diffusion-based Neural Combinatorial Optimization (NCO) has demonstrated effectiveness in solving NP-complete (NPC) problems by learning discrete diffusion models for solution generation, eliminating hand-crafted domain knowledge. Despite their success, existing NCO methods face significant challenges in both cross-scale and cross-problem generalization, and high training costs compared to traditional solvers. While recent studies on diffusion models have introduced training-free guidance approaches that leverage pre-defined guidance functions for conditional generation, such methodologies have not been extensively explored in combinatorial optimization. To bridge this gap, we propose a training-free inference time adaptation framework (DIFU-Ada) that enables both the zero-shot cross-problem transfer and cross-scale generalization capabilities of diffusion-based NCO solvers without requiring additional training. We provide theoretical analysis that helps understanding the cross-problem transfer capability. Our experimental results demonstrate that a diffusion solver, trained exclusively on the Traveling Salesman Problem (TSP), can achieve competitive zero-shot transfer performance across different problem scales on TSP variants, such as Prize Collecting TSP (PCTSP) and the Orienteering Problem (OP), through inference time adaptation.
♻ ☆ Mind the Gap: a Spectral Analysis of Rank Collapse and Signal Propagation in Attention Layers
Attention layers are the core component of transformers, the current state-of-the-art neural network architecture. Alternatives to softmax-based attention are being explored due to its tendency to hinder effective information flow. Even at initialisation, it remains poorly understood why the propagation of signals and gradients through these random networks can be pathological, resulting in issues known as (i) vanishing/exploding gradients and (ii) rank collapse $\textit{in depth}$, i.e. when all tokens converge to a single representation along layers. While rank collapse in depth naturally arises from repeated matrix multiplications$\unicode{x2013}$a common pattern across various architectures$\unicode{x2013}$we identify an additional and previously unknown challenge unique to softmax attention layers: (iii) rank collapse $\textit{in width}$, which occurs as the context length increases. Using Random Matrix Theory, we conduct a rigorous analysis that uncovers a spectral gap between the two largest singular values of the attention matrix as the cause of (iii), which in turn exacerbates (i) and (ii). Building on this insight, we propose a novel yet simple practical solution to mitigate rank collapse in width by removing the outlier eigenvalue(s). Our theoretical framework offers a fresh perspective on recent practical studies, such as (Ye et al., 2024; Ali et al., 2023), whose ad hoc solutions can now be interpreted as implicit efforts to address the spectral gap issue. This work provides valuable theoretical support for ongoing large-scale empirical research, bringing theory and practice one step closer in the understanding of transformers.
comment: International Conference on Machine Learning
♻ ☆ UCB-driven Utility Function Search for Multi-objective Reinforcement Learning
In Multi-objective Reinforcement Learning (MORL) agents are tasked with optimising decision-making behaviours that trade-off between multiple, possibly conflicting, objectives. MORL based on decomposition is a family of solution methods that employ a number of utility functions to decompose the multi-objective problem into individual single-objective problems solved simultaneously in order to approximate a Pareto front of policies. We focus on the case of linear utility functions parametrised by weight vectors w. We introduce a method based on Upper Confidence Bound to efficiently search for the most promising weight vectors during different stages of the learning process, with the aim of maximising the hypervolume of the resulting Pareto front. The proposed method demonstrates consistency and strong performance across various MORL baselines on Mujoco benchmark problems. The code is released in: https://github.com/SYCAMORE-1/ucb-MOPPO
♻ ☆ General agents need world models ICML 2025
Are world models a necessary ingredient for flexible, goal-directed behaviour, or is model-free learning sufficient? We provide a formal answer to this question, showing that any agent capable of generalizing to multi-step goal-directed tasks must have learned a predictive model of its environment. We show that this model can be extracted from the agent's policy, and that increasing the agents performance or the complexity of the goals it can achieve requires learning increasingly accurate world models. This has a number of consequences: from developing safe and general agents, to bounding agent capabilities in complex environments, and providing new algorithms for eliciting world models from agents.
comment: Accepted ICML 2025
♻ ☆ Geometric Kolmogorov-Arnold Superposition Theorem
The Kolmogorov-Arnold Theorem (KAT), or more generally, the Kolmogorov Superposition Theorem (KST), establishes that any non-linear multivariate function can be exactly represented as a finite superposition of non-linear univariate functions. Unlike the universal approximation theorem, which provides only an approximate representation without guaranteeing a fixed network size, KST offers a theoretically exact decomposition. The Kolmogorov-Arnold Network (KAN) was introduced as a trainable model to implement KAT, and recent advancements have adapted KAN using concepts from modern neural networks. However, KAN struggles to effectively model physical systems that require inherent equivariance or invariance geometric symmetries as $E(3)$ transformations, a key property for many scientific and engineering applications. In this work, we propose a novel extension of KAT and KAN to incorporate equivariance and invariance over various group actions, including $O(n)$, $O(1,n)$, $S_n$, and general $GL$, enabling accurate and efficient modeling of these systems. Our approach provides a unified approach that bridges the gap between mathematical theory and practical architectures for physical systems, expanding the applicability of KAN to a broader class of problems. We provide experimental validation on molecular dynamical systems and particle physics.
♻ ☆ Data Shifts Hurt CoT: A Theoretical Study
Chain of Thought (CoT) has been applied to various large language models (LLMs) and proven to be effective in improving the quality of outputs. In recent studies, transformers are proven to have absolute upper bounds in terms of expressive power, and consequently, they cannot solve many computationally difficult problems. However, empowered by CoT, transformers are proven to be able to solve some difficult problems effectively, such as the $k$-parity problem. Nevertheless, those works rely on two imperative assumptions: (1) identical training and testing distribution, and (2) corruption-free training data with correct reasoning steps. However, in the real world, these assumptions do not always hold. Although the risks of data shifts have caught attention, our work is the first to rigorously study the exact harm caused by such shifts to the best of our knowledge. Focusing on the $k$-parity problem, in this work we investigate the joint impact of two types of data shifts: the distribution shifts and data poisoning, on the quality of trained models obtained by a well-established CoT decomposition. In addition to revealing a surprising phenomenon that CoT leads to worse performance on learning parity than directly generating the prediction, our technical results also give a rigorous and comprehensive explanation of the mechanistic reasons of such impact.
comment: Comparison to v1: upgraded the quality of a figure
♻ ☆ Learned radio interferometric imaging for varying visibility coverage
With the next generation of interferometric telescopes, such as the Square Kilometre Array (SKA), the need for highly computationally efficient reconstruction techniques is particularly acute. The challenge in designing learned, data-driven reconstruction techniques for radio interferometry is that they need to be agnostic to the varying visibility coverages of the telescope, since these are different for each observation. Because of this, learned post-processing or learned unrolled iterative reconstruction methods must typically be retrained for each specific observation, amounting to a large computational overhead. In this work we develop learned post-processing and unrolled iterative methods for varying visibility coverages, proposing training strategies to make these methods agnostic to variations in visibility coverage with minimal to no fine-tuning. Learned post-processing techniques are heavily dependent on the prior information encoded in training data and generalise poorly to other visibility coverages. In contrast, unrolled iterative methods, which include the telescope measurement operator inside the network, achieve good reconstruction quality and computation time, generalising well to other coverages and require little to no fine-tuning. Furthermore, they generalise well to more realistic radio observations and are able to reconstruct images with with a larger dynamic range than the training set.
♻ ☆ Regular-pattern-sensitive CRFs for Distant Label Interactions
While LLMs have grown popular in sequence labeling, linear-chain conditional random fields (CRFs) remain a popular alternative with the ability to directly model interactions between labels. However, the Markov assumption limits them to % only directly modeling interactions between adjacent labels. Weighted finite-state transducers (FSTs), in contrast, can model distant label--label interactions, but exact label inference is intractable in general. In this work, we present regular-pattern-sensitive CRFs (RPCRFs), a method of enriching standard linear-chain CRFs with the ability to learn long-distance label interactions through user-specified patterns. This approach allows users to write regular-expression label patterns concisely specifying which types of interactions the model should take into account, allowing the model to learn from data whether and in which contexts these patterns occur. The result can be interpreted alternatively as a CRF augmented with additional, non-local potentials, or as a finite-state transducer whose structure is defined by a set of easily-interpretable patterns. Critically, exact training and inference are tractable for many pattern sets. We detail how an RPCRF can be automatically constructed from a set of user-specified patterns, and demonstrate the model's effectiveness on a sequence of three synthetic sequence modeling datasets.
♻ ☆ Computing the Distance between unbalanced Distributions -- The flat Metric
We provide an implementation to compute the flat metric in any dimension. The flat metric, also called dual bounded Lipschitz distance, generalizes the well-known Wasserstein distance $W_1$ to the case that the distributions are of unequal total mass. Thus, our implementation adapts very well to mass differences and uses them to distinguish between different distributions. This is of particular interest for unbalanced optimal transport tasks and for the analysis of data distributions where the sample size is important or normalization is not possible. The core of the method is based on a neural network to determine an optimal test function realizing the distance between two given measures. Special focus was put on achieving comparability of pairwise computed distances from independently trained networks. We tested the quality of the output in several experiments where ground truth was available as well as with simulated data.
♻ ☆ Feature learning in finite-width Bayesian deep linear networks with multiple outputs and convolutional layers
Deep linear networks have been extensively studied, as they provide simplified models of deep learning. However, little is known in the case of finite-width architectures with multiple outputs and convolutional layers. In this manuscript, we provide rigorous results for the statistics of functions implemented by the aforementioned class of networks, thus moving closer to a complete characterization of feature learning in the Bayesian setting. Our results include: (i) an exact and elementary non-asymptotic integral representation for the joint prior distribution over the outputs, given in terms of a mixture of Gaussians; (ii) an analytical formula for the posterior distribution in the case of squared error loss function (Gaussian likelihood); (iii) a quantitative description of the feature learning infinite-width regime, using large deviation theory. From a physical perspective, deep architectures with multiple outputs or convolutional layers represent different manifestations of kernel shape renormalization, and our work provides a dictionary that translates this physics intuition and terminology into rigorous Bayesian statistics.
♻ ☆ Train with Perturbation, Infer after Merging: A Two-Stage Framework for Continual Learning
Continual Learning (CL) aims to enable models to continuously acquire new knowledge from a sequence of tasks with avoiding the forgetting of learned information. However, existing CL methods only rely on the parameters of the most recent task for inference, which makes them susceptible to catastrophic forgetting. Inspired by the recent success of model merging techniques, we propose \textbf{Perturb-and-Merge (P\&M)}, a novel continual learning framework that integrates model merging into the CL paradigm to mitigate forgetting. Specifically, after training on each task, P\&M constructs a new model by forming a convex combination of the previous model and the newly trained task-specific model. Through theoretical analysis, we minimize the total loss increase across all tasks and derive an analytical solution for the optimal merging coefficient. To further improve the performance of the merged model, we observe that the degradation introduced during merging can be alleviated by a regularization term composed of the task vector and the Hessian matrix of the loss function. Interestingly, we show that this term can be efficiently approximated using second-order symmetric finite differences, and a stochastic perturbation strategy along the task vector direction is accordingly devised which incurs no additional forward or backward passes while providing an effective approximation of the regularization term. Finally, we combine P\&M with LoRA, a parameter-efficient fine-tuning method, to reduce memory overhead. Our proposed approach achieves state-of-the-art performance on several continual learning benchmark datasets.
comment: 17 pages, 3 figures
♻ ☆ Achieving Collective Welfare in Multi-Agent Reinforcement Learning via Suggestion Sharing KDD 2025
In human society, the conflict between self-interest and collective well-being often obstructs efforts to achieve shared welfare. Related concepts like the Tragedy of the Commons and Social Dilemmas frequently manifest in our daily lives. As artificial agents increasingly serve as autonomous proxies for humans, we propose a novel multi-agent reinforcement learning (MARL) method to address this issue - learning policies to maximise collective returns even when individual agents' interests conflict with the collective one. Unlike traditional cooperative MARL solutions that involve sharing rewards, values, and policies or designing intrinsic rewards to encourage agents to learn collectively optimal policies, we propose a novel MARL approach where agents exchange action suggestions. Our method reveals less private information compared to sharing rewards, values, or policies, while enabling effective cooperation without the need to design intrinsic rewards. Our algorithm is supported by our theoretical analysis that establishes a bound on the discrepancy between collective and individual objectives, demonstrating how sharing suggestions can align agents' behaviours with the collective objective. Experimental results demonstrate that our algorithm performs competitively with baselines that rely on value or policy sharing or intrinsic rewards.
comment: Machine Learning (ECML-PKDD 2025 Journal Track)
♻ ☆ Rethinking Explainable Machine Learning as Applied Statistics ICML 2025
In the rapidly growing literature on explanation algorithms, it often remains unclear what precisely these algorithms are for and how they should be used. In this position paper, we argue for a novel and pragmatic perspective: Explainable machine learning needs to recognize its parallels with applied statistics. Concretely, explanations are statistics of high-dimensional functions, and we should think about them analogously to traditional statistical quantities. Among others, this implies that we must think carefully about the matter of interpretation, or how the explanations relate to intuitive questions that humans have about the world. The fact that this is scarcely being discussed in research papers is one of the main drawbacks of the current literature. Moving forward, the analogy between explainable machine learning and applied statistics suggests fruitful ways for how research practices can be improved.
comment: ICML 2025 camera ready
♻ ☆ How Much Can We Forget about Data Contamination? ICML 2025
The leakage of benchmark data into the training data has emerged as a significant challenge for evaluating the capabilities of large language models (LLMs). In this work, we challenge the common assumption that small-scale contamination renders benchmark evaluations invalid. First, we experimentally quantify the magnitude of benchmark overfitting based on scaling along three dimensions: The number of model parameters (up to 1.6B), the number of times an example is seen (up to 144), and the number of training tokens (up to 40B). If model and data follow the Chinchilla scaling laws, minor contamination indeed leads to overfitting. At the same time, even 144 times of contamination can be forgotten if the training data is scaled beyond five times Chinchilla, a regime characteristic of many modern LLMs. Continual pre-training of OLMo-7B corroborates these results. Next, we study the impact of the weight decay parameter on example forgetting, showing that empirical forgetting occurs faster than the cumulative weight decay. This allows us to gauge the degree of example forgetting in large-scale training runs, indicating that many LLMs, including Lllama 3 405B, have forgotten the data seen at the beginning of training.
comment: ICML 2025 camera ready
♻ ☆ On Information-Theoretic Measures of Predictive Uncertainty
Reliable estimation of predictive uncertainty is crucial for machine learning applications, particularly in high-stakes scenarios where hedging against risks is essential. Despite its significance, there is no universal agreement on how to best quantify predictive uncertainty. In this work, we revisit core concepts to propose a framework for information-theoretic measures of predictive uncertainty. Our proposed framework categorizes predictive uncertainty measures according to two factors: (I) The predicting model (II) The approximation of the true predictive distribution. Examining all possible combinations of these two factors, we derive a set of predictive uncertainty measures that includes both known and newly introduced ones. We extensively evaluate these measures across a broad set of tasks, identifying conditions under which certain measures excel. Our findings show the importance of aligning the choice of uncertainty measure with the predicting model on in-distribution (ID) data, the limitations of epistemic uncertainty measures for out-of-distribution (OOD) data, and that the disentanglement between measures varies substantially between ID and OOD data. Together, these insights provide a more comprehensive understanding of predictive uncertainty measures, revealing their implicit assumptions and relationships.
comment: UAI 2025
♻ ☆ Amortized Bayesian Multilevel Models
Multilevel models (MLMs) are a central building block of the Bayesian workflow. They enable joint, interpretable modeling of data across hierarchical levels and provide a fully probabilistic quantification of uncertainty. Despite their well-recognized advantages, MLMs pose significant computational challenges, often rendering their estimation and evaluation intractable within reasonable time constraints. Recent advances in simulation-based inference offer promising solutions for addressing complex probabilistic models using deep generative networks. However, the utility and reliability of deep learning methods for estimating Bayesian MLMs remains largely unexplored, especially when compared with gold-standard samplers. To this end, we explore a family of neural network architectures that leverage the probabilistic factorization of multilevel models to facilitate efficient neural network training and subsequent near-instant posterior inference on unseen datasets. We test our method on several real-world case studies and provide comprehensive comparisons to Stan's gold standard sampler, where possible. Finally, we provide an open-source implementation of our methods to stimulate further research in the nascent field of amortized Bayesian inference.
comment: 24 pages, 13 figures
♻ ☆ MLOmics: Cancer Multi-Omics Database for Machine Learning
Framing the investigation of diverse cancers as a machine learning problem has recently shown significant potential in multi-omics analysis and cancer research. Empowering these successful machine learning models are the high-quality training datasets with sufficient data volume and adequate preprocessing. However, while there exist several public data portals, including The Cancer Genome Atlas (TCGA) multi-omics initiative or open-bases such as the LinkedOmics, these databases are not off-the-shelf for existing machine learning models. In this paper, we introduce MLOmics, an open cancer multi-omics database aiming at serving better the development and evaluation of bioinformatics and machine learning models. MLOmics contains 8,314 patient samples covering all 32 cancer types with four omics types, stratified features, and extensive baselines. Complementary support for downstream analysis and bio-knowledge linking are also included to support interdisciplinary analysis.
comment: This work has been published in Scientific Data
♻ ☆ Riemann Tensor Neural Networks: Learning Conservative Systems with Physics-Constrained Networks
Divergence-free symmetric tensors (DFSTs) are fundamental in continuum mechanics, encoding conservation laws such as mass and momentum conservation. We introduce Riemann Tensor Neural Networks (RTNNs), a novel neural architecture that inherently satisfies the DFST condition to machine precision, providing a strong inductive bias for enforcing these conservation laws. We prove that RTNNs can approximate any sufficiently smooth DFST with arbitrary precision and demonstrate their effectiveness as surrogates for conservative PDEs, achieving improved accuracy across benchmarks. This work is the first to use DFSTs as an inductive bias in neural PDE surrogates and to explicitly enforce the conservation of both mass and momentum within a physics-constrained neural architecture.
comment: To be published in the Proceedings of the Forty-Second International Conference on Machine Learning
♻ ☆ Variational Inference Optimized Using the Curved Geometry of Coupled Free Energy
We introduce an optimization framework for variational inference based on the coupled free energy, extending variational inference techniques to account for the curved geometry of the coupled exponential family. This family includes important heavy-tailed distributions such as the generalized Pareto and the Student's t. By leveraging the coupled free energy, which is equal to the coupled evidence lower bound (ELBO) of the inverted probabilities, we improve the accuracy and robustness of the learned model. The coupled generalization of Fisher Information metric and the affine connection. The method is applied to the design of a coupled variational autoencoder (CVAE). By using the coupling for both the distributions and cost functions, the reconstruction metric is derived to still be the mean-square average loss with modified constants. The novelty comes from sampling the heavy-tailed latent distribution with its associated coupled probability, which has faster decaying tails. The result is the ability to train a model robust against severe outliers, while assuring that the training process is stable. The Wasserstein-2 or Fr\'echet Inception Distance of the reconstructed CelebA images shows the CVAE has a 3\% improvement over the VAE after 5 epochs of training.
comment: 13 pages, 2 figures, AGI-25
♻ ☆ The Remarkable Robustness of LLMs: Stages of Inference?
We investigate the robustness of Large Language Models (LLMs) to structural interventions by deleting and swapping adjacent layers during inference. Surprisingly, models retain 72-95% of their original top-1 prediction accuracy without any fine-tuning. We find that performance degradation is not uniform across layers: interventions to the early and final layers cause the most degradation, while the model is remarkably robust to dropping middle layers. This pattern of localized sensitivity motivates our hypothesis of four stages of inference, observed across diverse model families and sizes: (1) detokenization, where local context is integrated to lift raw token embeddings into higher-level representations; (2) feature engineering, where task- and entity-specific features are iteratively refined; (3) prediction ensembling, where hidden states are aggregated into plausible next-token predictions; and (4) residual sharpening, where irrelevant features are suppressed to finalize the output distribution. Synthesizing behavioral and mechanistic evidence, we provide a framework for interpreting depth-dependent computations in LLMs.
comment: For Github code see https://github.com/vdlad/Remarkable-Robustness-of-LLMs. Send all correspondence to the first author
♻ ☆ A Probabilistic Neuro-symbolic Layer for Algebraic Constraint Satisfaction
In safety-critical applications, guaranteeing the satisfaction of constraints over continuous environments is crucial, e.g., an autonomous agent should never crash into obstacles or go off-road. Neural models struggle in the presence of these constraints, especially when they involve intricate algebraic relationships. To address this, we introduce a differentiable probabilistic layer that guarantees the satisfaction of non-convex algebraic constraints over continuous variables. This probabilistic algebraic layer (PAL) can be seamlessly plugged into any neural architecture and trained via maximum likelihood without requiring approximations. PAL defines a distribution over conjunctions and disjunctions of linear inequalities, parameterized by polynomials. This formulation enables efficient and exact renormalization via symbolic integration, which can be amortized across different data points and easily parallelized on a GPU. We showcase PAL and our integration scheme on a number of benchmarks for algebraic constraint integration and on real-world trajectory data.
comment: Accepted as oral presentation at UAI 25
♻ ☆ Active Perception for Tactile Sensing: A Task-Agnostic Attention-Based Approach
Humans make extensive use of haptic exploration to map and identify the properties of the objects that we touch. In robotics, active tactile perception has emerged as an important research domain that complements vision for tasks such as object classification, shape reconstruction, and manipulation. This work introduces TAP (Task-agnostic Active Perception) -- a novel framework that leverages reinforcement learning (RL) and transformer-based architectures to address the challenges posed by partially observable environments. TAP integrates Soft Actor-Critic (SAC) and CrossQ algorithms within a unified optimization objective, jointly training a perception module and decision-making policy. By design, TAP is completely task-agnostic and can, in principle, generalize to any active perception problem. We evaluate TAP across diverse tasks, including toy examples and realistic applications involving haptic exploration of 3D models from the Tactile MNIST benchmark. Experiments demonstrate the efficacy of TAP, achieving high accuracies on the Tactile MNIST haptic digit recognition task and a tactile pose estimation task. These findings underscore the potential of TAP as a versatile and generalizable framework for advancing active tactile perception in robotics.
comment: 16 pages; 13 figures Under Review
♻ ☆ Compositional Active Learning of Synchronizing Systems through Automated Alphabet Refinement
Active automata learning infers automaton models of systems from behavioral observations, a technique successfully applied to a wide range of domains. Compositional approaches for concurrent systems have recently emerged. We take a significant step beyond available results, including those by the authors, and develop a general technique for compositional learning of a synchronizing parallel system with an unknown decomposition. Our approach automatically refines the global alphabet into component alphabets while learning the component models. We develop a theoretical treatment of distributions of alphabets, i.e., sets of possibly overlapping component alphabets. We characterize counter-examples that reveal inconsistencies with global observations, and show how to systematically update the distribution to restore consistency. We present a compositional learning algorithm implementing these ideas, where learning counterexamples precisely correspond to distribution counterexamples under well-defined conditions. We provide an implementation, called CoalA, using the state-of-the-art active learning library LearnLib. Our experiments show that in more than 630 subject systems, CoalA delivers orders of magnitude improvements (up to five orders) in membership queries and in systems with significant concurrency, it also achieves better scalability in the number of equivalence queries.
♻ ☆ From Reasoning to Code: GRPO Optimization for Underrepresented Languages
Generating accurate and executable code using large language models (LLMs) is challenging for languages with limited public training data compared to popular languages such as Python. This paper introduces a generalizable approach that uses small-scale code versions of the Qwen 2.5 model combined with Group Relative Policy Optimization (GRPO) to enable effective code generation through explicit reasoning steps, which is particularly beneficial for languages with smaller source code databases. Using Prolog as a representative use case -- given its limited online presence -- the initial model faced challenges in generating executable code. After some training steps, the model successfully produces logically consistent and syntactically accurate code by directly integrating reasoning-driven feedback into the reinforcement learning loop. Experimental evaluations using mathematical logic problem benchmarks illustrate significant improvements in reasoning quality, code accuracy, and logical correctness, underscoring the potential of this approach to benefit a wide range of programming languages lacking extensive training resources.
comment: Preprint. Under review
♻ ☆ G-Memory: Tracing Hierarchical Memory for Multi-Agent Systems
Large language model (LLM)-powered multi-agent systems (MAS) have demonstrated cognitive and execution capabilities that far exceed those of single LLM agents, yet their capacity for self-evolution remains hampered by underdeveloped memory architectures. Upon close inspection, we are alarmed to discover that prevailing MAS memory mechanisms (1) are overly simplistic, completely disregarding the nuanced inter-agent collaboration trajectories, and (2) lack cross-trial and agent-specific customization, in stark contrast to the expressive memory developed for single agents. To bridge this gap, we introduce G-Memory, a hierarchical, agentic memory system for MAS inspired by organizational memory theory, which manages the lengthy MAS interaction via a three-tier graph hierarchy: insight, query, and interaction graphs. Upon receiving a new user query, G-Memory performs bi-directional memory traversal to retrieve both $\textit{high-level, generalizable insights}$ that enable the system to leverage cross-trial knowledge, and $\textit{fine-grained, condensed interaction trajectories}$ that compactly encode prior collaboration experiences. Upon task execution, the entire hierarchy evolves by assimilating new collaborative trajectories, nurturing the progressive evolution of agent teams. Extensive experiments across five benchmarks, three LLM backbones, and three popular MAS frameworks demonstrate that G-Memory improves success rates in embodied action and accuracy in knowledge QA by up to $20.89\%$ and $10.12\%$, respectively, without any modifications to the original frameworks. Our codes are available at https://github.com/bingreeky/GMemory.
♻ ☆ A robust and scalable framework for hallucination detection in virtual tissue staining and digital pathology
Histopathological staining of human tissue is essential for disease diagnosis. Recent advances in virtual tissue staining technologies using artificial intelligence (AI) alleviate some of the costly and tedious steps involved in traditional histochemical staining processes, permitting multiplexed staining and tissue preservation. However, potential hallucinations and artifacts in these virtually stained tissue images pose concerns, especially for the clinical uses of these approaches. Quality assessment of histology images by experts can be subjective. Here, we present an autonomous quality and hallucination assessment method, AQuA, for virtual tissue staining and digital pathology. AQuA autonomously achieves 99.8% accuracy when detecting acceptable and unacceptable virtually stained tissue images without access to histochemically stained ground truth, and presents an agreement of 98.5% with the manual assessments made by board-certified pathologists, including identifying realistic-looking images that could mislead diagnosticians. We demonstrate the wide adaptability of AQuA across various virtually and histochemically stained human tissue images. This framework enhances the reliability of virtual tissue staining and provides autonomous quality assurance for image generation and transformation tasks in digital pathology and computational imaging.
comment: 45 Pages, 22 Figures, 2 Tables
♻ ☆ ASAP: Learning Generalizable Online Bin Packing via Adaptive Selection After Proposal
Recently, deep reinforcement learning (DRL) has achieved promising results in solving online 3D Bin Packing Problems (3D-BPP). However, these DRL-based policies may perform poorly on new instances due to distribution shift. Besides generalization, we also consider adaptation, completely overlooked by previous work, which aims at rapidly fine-tuning these policies to a new test distribution. To tackle both generalization and adaptation issues, we propose ASAP, which decomposes a solver's decision-making into two policies, one for proposal and one for selection. The role of the proposal policy is to suggest promising actions, which allows the selection policy to choose among them. To effectively learn these policies, we introduce a training framework that combines pre-training and post-training, enhanced by meta-learning. During online adaptation, we only fine-tune the selection policy to rapidly adapt to a test distribution. Our experiments demonstrate that ASAP exhibits excellent generalization and adaptation capabilities on in-distribution and out-of-distribution instances for both discrete and continuous setups.
♻ ☆ Enhanced SPS Velocity-adaptive Scheme: Access Fairness in 5G NR V2I Networks
Vehicle-to-Infrastructure (V2I) technology enables information exchange between vehicles and road infrastructure. Specifically, when a vehicle approaches a roadside unit (RSU), it can exchange information with the RSU to obtain accurate data that assists in driving. With the release of the 3rd Generation Partnership Project (3GPP) Release 16, which includes the 5G New Radio (NR) Vehicle-to-Everything (V2X) standards, vehicles typically adopt mode-2 communication using sensing-based semi-persistent scheduling (SPS) for resource allocation. In this approach, vehicles identify candidate resources within a selection window and exclude ineligible resources based on information from a sensing window. However, vehicles often drive at different speeds, resulting in varying amounts of data transmission with RSUs as they pass by, which leads to unfair access. Therefore, it is essential to design an access scheme that accounts for different vehicle speeds to achieve fair access across the network. This paper formulates an optimization problem for vehicular networks and proposes a multi-objective optimization scheme to address it by adjusting the selection window in the SPS mechanism of 5G NR V2I mode-2. Simulation results demonstrate the effectiveness of the proposed scheme
comment: This paper has been accepted by IEEE International Workshop on Radio Frequency and Antenna Technologies. The source code has been released at: https://github.com/qiongwu86/Enhanced-SPS-Velocity-adaptiveScheme-Access-Fariness-in-5G-NR-V2I-Networks
♻ ☆ Graph Neural Networks and Deep Reinforcement Learning Based Resource Allocation for V2X Communications
In the rapidly evolving landscape of Internet of Vehicles (IoV) technology, Cellular Vehicle-to-Everything (C-V2X) communication has attracted much attention due to its superior performance in coverage, latency, and throughput. Resource allocation within C-V2X is crucial for ensuring the transmission of safety information and meeting the stringent requirements for ultra-low latency and high reliability in Vehicle-to-Vehicle (V2V) communication. This paper proposes a method that integrates Graph Neural Networks (GNN) with Deep Reinforcement Learning (DRL) to address this challenge. By constructing a dynamic graph with communication links as nodes and employing the Graph Sample and Aggregation (GraphSAGE) model to adapt to changes in graph structure, the model aims to ensure a high success rate for V2V communication while minimizing interference on Vehicle-to-Infrastructure (V2I) links, thereby ensuring the successful transmission of V2V link information and maintaining high transmission rates for V2I links. The proposed method retains the global feature learning capabilities of GNN and supports distributed network deployment, allowing vehicles to extract low-dimensional features that include structural information from the graph network based on local observations and to make independent resource allocation decisions. Simulation results indicate that the introduction of GNN, with a modest increase in computational load, effectively enhances the decision-making quality of agents, demonstrating superiority to other methods. This study not only provides a theoretically efficient resource allocation strategy for V2V and V2I communications but also paves a new technical path for resource management in practical IoV environments.
comment: 15 pages, 11 figures. This paper has been accepted by IEEE Internet of Things Journal. The source code has been released at: https://github.com/qiongwu86/GNN-and-DRL-Based-Resource-Allocation-for-V2X-Communications
♻ ☆ PPO-Based Vehicle Control for Ramp Merging Scheme Assisted by Enhanced C-V2X
On-ramp merging presents a critical challenge in autonomous driving, as vehicles from merging lanes need to dynamically adjust their positions and speeds while monitoring traffic on the main road to prevent collisions. To address this challenge, we propose a novel merging control scheme based on reinforcement learning, which integrates lateral control mechanisms. This approach ensures the smooth integration of vehicles from the merging lane onto the main road, optimizing both fuel efficiency and passenger comfort. Furthermore, we recognize the impact of vehicle-to-vehicle (V2V) communication on control strategies and introduce an enhanced protocol leveraging Cellular Vehicle-to-Everything (C-V2X) Mode 4. This protocol aims to reduce the Age of Information (AoI) and improve communication reliability. In our simulations, we employ two AoI-based metrics to rigorously assess the protocol's effectiveness in autonomous driving scenarios. By combining the NS3 network simulator with Python, we simulate V2V communication and vehicle control simultaneously. The results demonstrate that the enhanced C-V2X Mode 4 outperforms the standard version, while the proposed control scheme ensures safe and reliable vehicle operation during on-ramp merging.
comment: This paper has been submitted to IEEE Journal. The source code has been released at: https://github.com/qiongwu86/PPO-Based-Vehicle-Control-for-Ramp-Merging-Scheme-Assisted-by-Enhanced-C-V2X
♻ ☆ Deep Learning-Based Breast Cancer Detection in Mammography: A Multi-Center Validation Study in Thai Population
This study presents a deep learning system for breast cancer detection in mammography, developed using a modified EfficientNetV2 architecture with enhanced attention mechanisms. The model was trained on mammograms from a major Thai medical center and validated on three distinct datasets: an in-domain test set (9,421 cases), a biopsy-confirmed set (883 cases), and an out-of-domain generalizability set (761 cases) collected from two different hospitals. For cancer detection, the model achieved AUROCs of 0.89, 0.96, and 0.94 on the respective datasets. The system's lesion localization capability, evaluated using metrics including Lesion Localization Fraction (LLF) and Non-Lesion Localization Fraction (NLF), demonstrated robust performance in identifying suspicious regions. Clinical validation through concordance tests showed strong agreement with radiologists: 83.5% classification and 84.0% localization concordance for biopsy-confirmed cases, and 78.1% classification and 79.6% localization concordance for out-of-domain cases. Expert radiologists' acceptance rate also averaged 96.7% for biopsy-confirmed cases, and 89.3% for out-of-domain cases. The system achieved a System Usability Scale score of 74.17 for source hospital, and 69.20 for validation hospitals, indicating good clinical acceptance. These results demonstrate the model's effectiveness in assisting mammogram interpretation, with the potential to enhance breast cancer screening workflows in clinical practice.
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data will be available later (under review). Keywords: reinforcement learning with verifiable rewards (RLVR), instruction following, complex instructions
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ FrameBridge: Improving Image-to-Video Generation with Bridge Models
Diffusion models have achieved remarkable progress on image-to-video (I2V) generation, while their noise-to-data generation process is inherently mismatched with this task, which may lead to suboptimal synthesis quality. In this work, we present FrameBridge. By modeling the frame-to-frames generation process with a bridge model based data-to-data generative process, we are able to fully exploit the information contained in the given image and improve the consistency between the generation process and I2V task. Moreover, we propose two novel techniques toward the two popular settings of training I2V models, respectively. Firstly, we propose SNR-Aligned Fine-tuning (SAF), making the first attempt to fine-tune a diffusion model to a bridge model and, therefore, allowing us to utilize the pre-trained diffusion-based text-to-video (T2V) models. Secondly, we propose neural prior, further improving the synthesis quality of FrameBridge when training from scratch. Experiments conducted on WebVid-2M and UCF-101 demonstrate the superior quality of FrameBridge in comparison with the diffusion counterpart (zero-shot FVD 95 vs. 192 on MSR-VTT and non-zero-shot FVD 122 vs. 171 on UCF-101), and the advantages of our proposed SAF and neural prior for bridge-based I2V models. The project page: https://framebridge-icml.github.io/.
♻ ☆ Optimizing Temperature for Language Models with Multi-Sample Inference ICML2025
Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature's role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.
comment: ICML2025, 21 pages. Code available at https://github.com/StigLidu/TURN
♻ ☆ Geometric Representation Condition Improves Equivariant Molecule Generation ICML 2025
Recent advances in molecular generative models have demonstrated great promise for accelerating scientific discovery, particularly in drug design. However, these models often struggle to generate high-quality molecules, especially in conditional scenarios where specific molecular properties must be satisfied. In this work, we introduce GeoRCG, a general framework to improve molecular generative models by integrating geometric representation conditions with provable theoretical guarantees. We decompose the generation process into two stages: first, generating an informative geometric representation; second, generating a molecule conditioned on the representation. Compared with single-stage generation, the easy-to-generate representation in the first stage guides the second stage generation toward a high-quality molecule in a goal-oriented way. Leveraging EDM and SemlaFlow as base generators, we observe significant quality improvements in unconditional molecule generation on the widely used QM9 and GEOM-DRUG datasets. More notably, in the challenging conditional molecular generation task, our framework achieves an average 50\% performance improvement over state-of-the-art approaches, highlighting the superiority of conditioning on semantically rich geometric representations. Furthermore, with such representation guidance, the number of diffusion steps can be reduced to as small as 100 while largely preserving the generation quality achieved with 1,000 steps, thereby significantly reducing the generation iterations needed.
comment: Accepted to ICML 2025 as a Spotlight Poster
♻ ☆ Complexity of Injectivity and Verification of ReLU Neural Networks
Neural networks with ReLU activation play a key role in modern machine learning. Understanding the functions represented by ReLU networks is a major topic in current research as this enables a better interpretability of learning processes. Injectivity of a function computed by a ReLU network, that is, the question if different inputs to the network always lead to different outputs, plays a crucial role whenever invertibility of the function is required, such as, e.g., for inverse problems or generative models. The exact computational complexity of deciding injectivity was recently posed as an open problem (Puthawala et al. [JMLR 2022]). We answer this question by proving coNP-completeness. On the positive side, we show that the problem for a single ReLU-layer is still tractable for small input dimension; more precisely, we present a parameterized algorithm which yields fixed-parameter tractability with respect to the input dimension. In addition, we study the network verification problem which is to verify that certain inputs only yield specific outputs. This is of great importance since neural networks are increasingly used in safety-critical systems. We prove that network verification is coNP-hard for a general class of input domains. Our results also exclude constant-factor polynomial-time approximations for the maximum of a function computed by a ReLU network. In this context, we also characterize surjectivity of functions computed by ReLU networks with one-dimensional output which turns out to be the complement of a basic network verification task. We reveal interesting connections to computational convexity by formulating the surjectivity problem as a zonotope containment problem
comment: 26 pages, Accepted for presentation at the Conference on Learning Theory (COLT) 2025
♻ ☆ Code Graph Model (CGM): A Graph-Integrated Large Language Model for Repository-Level Software Engineering Tasks
Recent advances in Large Language Models (LLMs) have shown promise in function-level code generation, yet repository-level software engineering tasks remain challenging. Current solutions predominantly rely on proprietary LLM agents, which introduce unpredictability and limit accessibility, raising concerns about data privacy and model customization. This paper investigates whether open-source LLMs can effectively address repository-level tasks without requiring agent-based approaches. We demonstrate this is possible by enabling LLMs to comprehend functions and files within codebases through their semantic information and structural dependencies. To this end, we introduce Code Graph Models (CGMs), which integrate repository code graph structures into the LLM's attention mechanism and map node attributes to the LLM's input space using a specialized adapter. When combined with an agentless graph RAG framework, our approach achieves a 43.00% resolution rate on the SWE-bench Lite benchmark using the open-source Qwen2.5-72B model. This performance ranks first among open weight models, second among methods with open-source systems, and eighth overall, surpassing the previous best open-source model-based method by 12.33%.
comment: 31 pages, 9 figures
♻ ☆ Geodesic Slice Sampler for Multimodal Distributions with Strong Curvature
Traditional Markov Chain Monte Carlo sampling methods often struggle with sharp curvatures, intricate geometries, and multimodal distributions. Slice sampling can resolve local exploration inefficiency issues, and Riemannian geometries help with sharp curvatures. Recent extensions enable slice sampling on Riemannian manifolds, but they are restricted to cases where geodesics are available in a closed form. We propose a method that generalizes Hit-and-Run slice sampling to more general geometries tailored to the target distribution, by approximating geodesics as solutions to differential equations. Our approach enables the exploration of the regions with strong curvature and rapid transitions between modes in multimodal distributions. We demonstrate the advantages of the approach over challenging sampling problems.
♻ ☆ A theoretical basis for model collapse in recursive training
It is known that recursive training from generative models can lead to the so called `collapse' of the simulated probability distribution. This note shows that one in fact gets two different asymptotic behaviours depending on whether an external source, howsoever minor, is also contributing samples.
comment: corrected file
♻ ☆ On the Completeness of Invariant Geometric Deep Learning Models
Invariant models, one important class of geometric deep learning models, are capable of generating meaningful geometric representations by leveraging informative geometric features in point clouds. These models are characterized by their simplicity, good experimental results and computational efficiency. However, their theoretical expressive power still remains unclear, restricting a deeper understanding of the potential of such models. In this work, we concentrate on characterizing the theoretical expressiveness of a wide range of invariant models under fully-connected conditions. We first rigorously characterize the expressiveness of the most classic invariant model, message-passing neural networks incorporating distance (DisGNN), restricting its unidentifiable cases to be only highly symmetric point clouds. We then prove that GeoNGNN, the geometric counterpart of one of the simplest subgraph graph neural networks, can effectively break these corner cases' symmetry and thus achieve E(3)-completeness. By leveraging GeoNGNN as a theoretical tool, we further prove that: 1) most subgraph GNNs developed in traditional graph learning can be seamlessly extended to geometric scenarios with E(3)-completeness; 2) DimeNet, GemNet and SphereNet, three well-established invariant models, are also all capable of achieving E(3)-completeness. Our theoretical results fill the gap in the expressive power of invariant models, contributing to a rigorous and comprehensive understanding of their capabilities.
comment: The Thirteenth International Conference on Learning Representations
♻ ☆ A SHAP-based explainable multi-level stacking ensemble learning method for predicting the length of stay in acute stroke
Length of stay (LOS) prediction in acute stroke is critical for improving care planning. Existing machine learning models have shown suboptimal predictive performance, limited generalisability, and have overlooked system-level factors. We aimed to enhance model efficiency, performance, and interpretability by refining predictors and developing an interpretable multi-level stacking ensemble model. Data were accessed from the biennial Stroke Foundation Acute Audit (2015, 2017, 2019, 2021) in Australia. Models were developed for ischaemic and haemorrhagic stroke separately. The outcome was prolonged LOS (the LOS above the 75th percentile). Candidate predictors (ischaemic: n=89; haemorrhagic: n=83) were categorised into patient, clinical, and system domains. Feature selection with correlation-based approaches was used to refine key predictors. The evaluation of models included discrimination (AUC), calibration curves, and interpretability (SHAP plots). In ischaemic stroke (N=12,575), prolonged LOS was >=9 days, compared to >=11 days in haemorrhagic stroke (N=1,970). The ensemble model achieved superior performance [AUC: 0.824 (95% CI: 0.801-0.846)] and statistically outperformed logistic regression [AUC: 0.805 (95% CI: 0.782-0.829); P=0.0004] for ischaemic. However, the model [AUC: 0.843 (95% CI: 0.790-0.895)] did not statistically outperform logistic regression [AUC: 0.828 (95% CI: 0.774-0.882); P=0.136] for haemorrhagic. SHAP analysis identified shared predictors for both types of stroke: rehabilitation assessment, urinary incontinence, stroke unit care, inability to walk independently, physiotherapy, and stroke care coordinators involvement. An explainable ensemble model effectively predicted the prolonged LOS in ischaemic stroke. Further validation in larger cohorts is needed for haemorrhagic stroke.
comment: This master thesis paper withdrawn for further revision and to obtain approval from all co-authors for public release
♻ ☆ Scaling Laws for Upcycling Mixture-of-Experts Language Models ICML 2025
Pretraining large language models (LLMs) is resource-intensive, often requiring months of training time even with high-end GPU clusters. There are two approaches of mitigating such computational demands: reusing smaller models to train larger ones (upcycling), and training computationally efficient models like mixture-of-experts (MoE). In this paper, we study the upcycling of LLMs to MoE models, of which the scaling behavior remains underexplored. Through extensive experiments, we identify empirical scaling laws that describe how performance depends on dataset size and model configuration. Particularly, we show that, while scaling these factors improves performance, there is a novel interaction term between the dense and upcycled training dataset that limits the efficiency of upcycling at large computational budgets. Based on these findings, we provide guidance to scale upcycling, and establish conditions under which upcycling outperforms from-scratch trainings within budget constraints.
comment: ICML 2025. 16 figures, 8 tables. Code available at https://github.com/sbintuitions/sparse-upcycling-scaling-laws
♻ ☆ Intra-Trajectory Consistency for Reward Modeling
Reward models are critical for improving large language models (LLMs), particularly in reinforcement learning from human feedback (RLHF) or inference-time verification. Current reward modeling typically relies on scores of overall responses to learn the outcome rewards for the responses. However, since the response-level scores are coarse-grained supervision signals, the reward model struggles to identify the specific components within a response trajectory that truly correlate with the scores, leading to poor generalization on unseen responses. In this paper, we propose to leverage generation probabilities to establish reward consistency between processes in the response trajectory, which allows the response-level supervisory signal to propagate across processes, thereby providing additional fine-grained signals for reward learning. Building on analysis under the Bayesian framework, we develop an intra-trajectory consistency regularization to enforce that adjacent processes with higher next-token generation probability maintain more consistent rewards. We apply the proposed regularization to the advanced outcome reward model, improving its performance on RewardBench. Besides, we show that the reward model trained with the proposed regularization induces better DPO-aligned policies and achieves better best-of-N (BON) inference-time verification results. Our code is provided in https://github.com/chaoyang101/ICRM.
comment: Under review
♻ ☆ Boosting Column Generation with Graph Neural Networks for Joint Rider Trip Planning and Crew Shift Scheduling
Optimizing service schedules is pivotal to the reliable, efficient, and inclusive on-demand mobility. This pressing challenge is further exacerbated by the increasing needs of an aging population, the oversubscription of existing services, and the lack of effective solution methods. This study addresses the intricacies of service scheduling, by jointly optimizing rider trip planning and crew scheduling for a complex dynamic mobility service. The resulting optimization problems are extremely challenging computationally for state-of-the-art methods. To address this fundamental gap, this paper introduces the Joint Rider Trip Planning and Crew Shift Scheduling Problem (JRTPCSSP) and a novel solution method, called Attention and Gated GNN-Informed Column Generation (AGGNNI-CG), that hybridizes column generation and machine learning to obtain near-optimal solutions to the JRTPCSSP with real-life constraints of the application. The key idea of the machine-learning component is to dramatically reduce the number of paths to explore in the pricing problem, accelerating the most time-consuming component of the column generation. The machine learning component is a graph neural network with an attention mechanism and a gated architecture, which is particularly suited to cater for the different input sizes coming from daily operations. AGGNNI-CG has been applied to a challenging, real-world dataset from the Paratransit system of Chatham County in Georgia. It produces substantial improvements compared to the baseline column generation approach, which typically cannot produce high-quality feasible solutions in reasonable time on large-scale complex instances. AGGNNI-CG also produces significant improvements in service quality compared to the existing system.
♻ ☆ Detecting Adversarial Examples
Deep Neural Networks (DNNs) have been shown to be vulnerable to adversarial examples. While numerous successful adversarial attacks have been proposed, defenses against these attacks remain relatively understudied. Existing defense approaches either focus on negating the effects of perturbations caused by the attacks to restore the DNNs' original predictions or use a secondary model to detect adversarial examples. However, these methods often become ineffective due to the continuous advancements in attack techniques. We propose a novel universal and lightweight method to detect adversarial examples by analyzing the layer outputs of DNNs. Our method trains a lightweight regression model that predicts deeper-layer features from early-layer features, and uses the prediction error to detect adversarial samples. Through theoretical justification and extensive experiments, we demonstrate that our detection method is highly effective, compatible with any DNN architecture, and applicable across different domains, such as image, video, and audio.
♻ ☆ Improving Multimodal Learning Balance and Sufficiency through Data Remixing ICML2025
Different modalities hold considerable gaps in optimization trajectories, including speeds and paths, which lead to modality laziness and modality clash when jointly training multimodal models, resulting in insufficient and imbalanced multimodal learning. Existing methods focus on enforcing the weak modality by adding modality-specific optimization objectives, aligning their optimization speeds, or decomposing multimodal learning to enhance unimodal learning. These methods fail to achieve both unimodal sufficiency and multimodal balance. In this paper, we, for the first time, address both concerns by proposing multimodal Data Remixing, including decoupling multimodal data and filtering hard samples for each modality to mitigate modality imbalance; and then batch-level reassembling to align the gradient directions and avoid cross-modal interference, thus enhancing unimodal learning sufficiency. Experimental results demonstrate that our method can be seamlessly integrated with existing approaches, improving accuracy by approximately 6.50%$\uparrow$ on CREMAD and 3.41%$\uparrow$ on Kinetic-Sounds, without training set expansion or additional computational overhead during inference. The source code is available at https://github.com/MatthewMaxy/Remix_ICML2025.
comment: ICML2025
Can a Bayesian Oracle Prevent Harm from an Agent?
Is there a way to design powerful AI systems based on machine learning methods that would satisfy probabilistic safety guarantees? With the long-term goal of obtaining a probabilistic guarantee that would apply in every context, we consider estimating a context-dependent bound on the probability of violating a given safety specification. Such a risk evaluation would need to be performed at run-time to provide a guardrail against dangerous actions of an AI. Noting that different plausible hypotheses about the world could produce very different outcomes, and because we do not know which one is right, we derive bounds on the safety violation probability predicted under the true but unknown hypothesis. Such bounds could be used to reject potentially dangerous actions. Our main results involve searching for cautious but plausible hypotheses, obtained by a maximization that involves Bayesian posteriors over hypotheses. We consider two forms of this result, in the i.i.d. case and in the non-i.i.d. case, and conclude with open problems towards turning such theoretical results into practical AI guardrails.
comment: Accepted at UAI 2025 (Uncertainty in Artificial Intelligence). 20 pages, 2 figures. Code available at: https://github.com/saifh-github/conservative-bayesian-public
♻ ☆ Knowledge Graph Large Language Model (KG-LLM) for Link Prediction
The task of multi-hop link prediction within knowledge graphs (KGs) stands as a challenge in the field of knowledge graph analysis, as it requires the model to reason through and understand all intermediate connections before making a prediction. In this paper, we introduce the Knowledge Graph Large Language Model (KG-LLM), a novel framework that leverages large language models (LLMs) for knowledge graph tasks. We first convert structured knowledge graph data into natural language and then use these natural language prompts to fine-tune LLMs to enhance multi-hop link prediction in KGs. By converting the KG to natural language prompts, our framework is designed to learn the latent representations of entities and their interrelations. To show the efficacy of the KG-LLM Framework, we fine-tune three leading LLMs within this framework, including Flan-T5, LLaMa2 and Gemma. Further, we explore the framework's potential to provide LLMs with zero-shot capabilities for handling previously unseen prompts. Experimental results show that KG-LLM significantly improves the models' generalization capabilities, leading to more accurate predictions in unfamiliar scenarios.
comment: Accepted by ACML 2024
♻ ☆ Upcycling Large Language Models into Mixture of Experts
Upcycling pre-trained dense language models into sparse mixture-of-experts (MoE) models is an efficient approach to increase the model capacity of already trained models. However, optimal techniques for upcycling at scale remain unclear. In this work, we conduct an extensive study of upcycling methods and hyperparameters for billion-parameter scale language models. We propose a novel "virtual group" initialization scheme and weight scaling approach to enable upcycling into fine-grained MoE architectures. Through ablations, we find that upcycling outperforms continued dense model training. In addition, we show that softmax-then-topK expert routing improves over topK-then-softmax approach and higher granularity MoEs can help improve accuracy. Finally, we upcycled Nemotron-4 15B on 1T tokens and compared it to a continuously trained version of the same model on the same 1T tokens: the continuous trained model achieved 65.3% MMLU, whereas the upcycled model achieved 67.6%. Our results offer insights and best practices to effectively leverage upcycling for building MoE language models. Code is available.
♻ ☆ An invitation to the sample complexity of quantum hypothesis testing
Quantum hypothesis testing (QHT) has been traditionally studied from the information-theoretic perspective, wherein one is interested in the optimal decay rate of error probabilities as a function of the number of samples of an unknown state. In this paper, we study the sample complexity of QHT, wherein the goal is to determine the minimum number of samples needed to reach a desired error probability. By making use of the wealth of knowledge that already exists in the literature on QHT, we characterize the sample complexity of binary QHT in the symmetric and asymmetric settings, and we provide bounds on the sample complexity of multiple QHT. In more detail, we prove that the sample complexity of symmetric binary QHT depends logarithmically on the inverse error probability and inversely on the negative logarithm of the fidelity. As a counterpart of the quantum Stein's lemma, we also find that the sample complexity of asymmetric binary QHT depends logarithmically on the inverse type II error probability and inversely on the quantum relative entropy, provided that the type II error probability is sufficiently small. We then provide lower and upper bounds on the sample complexity of multiple QHT, with it remaining an intriguing open question to improve these bounds. The final part of our paper outlines and reviews how sample complexity of QHT is relevant to a broad swathe of research areas and can enhance understanding of many fundamental concepts, including quantum algorithms for simulation and search, quantum learning and classification, and foundations of quantum mechanics. As such, we view our paper as an invitation to researchers coming from different communities to study and contribute to the problem of sample complexity of QHT, and we outline a number of open directions for future research.
comment: v4: 63 pages, 3 figures, final version; v3: 58 pages, 1 figure, correction to Corollary 10; see independent and concurrent work of Pensia, Jog, Loh at arXiv:2403.16981
♻ ☆ Adversarially Robust Bloom Filters: Privacy, Reductions, and Open Problems
A Bloom filter is a space-efficient probabilistic data structure that represents a set $S$ of elements from a larger universe $U$. This efficiency comes with a trade-off, namely, it allows for a small chance of false positives. When you query the Bloom filter about an element x, the filter will respond 'Yes' if $x \in S$. If $x \notin S$, it may still respond 'Yes' with probability at most $\varepsilon$. We investigate the adversarial robustness and privacy of Bloom filters, addressing open problems across three prominent frameworks: the game-based model of Naor-Oved-Yogev (NOY), the simulator-based model of Filic et. al., and learning-augmented variants. We prove the first formal connection between the Filic and NOY models, showing that Filic correctness implies AB-test resilience. We resolve a longstanding open question by proving that PRF-backed Bloom filters fail the NOY model's stronger BP-test. Finally, we introduce the first private Bloom filters with differential privacy guarantees, including constructions applicable to learned Bloom filters. Our taxonomy organizes the space of robustness and privacy guarantees, clarifying relationships between models and constructions.
♻ ☆ SemanticST: Spatially Informed Semantic Graph Learning for Clustering, Integration, and Scalable Analysis of Spatial Transcriptomics
Spatial transcriptomics (ST) technologies enable gene expression profiling with spatial resolution, offering unprecedented insights into tissue organization and disease heterogeneity. However, current analysis methods often struggle with noisy data, limited scalability, and inadequate modelling of complex cellular relationships. We present SemanticST, a biologically informed, graph-based deep learning framework that models diverse cellular contexts through multi-semantic graph construction. SemanticST builds multiple context-specific graphs capturing spatial proximity, gene expression similarity, and tissue domain structure, and learns disentangled embeddings for each. These are fused using an attention-inspired strategy to yield a unified, biologically meaningful representation. A community-aware min-cut loss improves robustness over contrastive learning, particularly in sparse ST data. SemanticST supports mini-batch training, making it the first graph neural network scalable to large-scale datasets such as Xenium (500,000 cells). Benchmarking across four platforms (Visium, Slide-seq, Stereo-seq, Xenium) and multiple human and mouse tissues shows consistent 20 percentage gains in ARI, NMI, and trajectory fidelity over DeepST, GraphST, and IRIS. In re-analysis of breast cancer Xenium data, SemanticST revealed rare and clinically significant niches, including triple receptor-positive clusters, spatially distinct DCIS-to-IDC transition zones, and FOXC2 tumour-associated myoepithelial cells, suggesting non-canonical EMT programs with stem-like features. SemanticST thus provides a scalable, interpretable, and biologically grounded framework for spatial transcriptomics analysis, enabling robust discovery across tissue types and diseases, and paving the way for spatially resolved tissue atlases and next-generation precision medicine.
comment: 6 Figures
♻ ☆ Bayesian Neural Scaling Law Extrapolation with Prior-Data Fitted Networks ICML 2025
Scaling has been a major driver of recent advancements in deep learning. Numerous empirical studies have found that scaling laws often follow the power-law and proposed several variants of power-law functions to predict the scaling behavior at larger scales. However, existing methods mostly rely on point estimation and do not quantify uncertainty, which is crucial for real-world applications involving decision-making problems such as determining the expected performance improvements achievable by investing additional computational resources. In this work, we explore a Bayesian framework based on Prior-data Fitted Networks (PFNs) for neural scaling law extrapolation. Specifically, we design a prior distribution that enables the sampling of infinitely many synthetic functions resembling real-world neural scaling laws, allowing our PFN to meta-learn the extrapolation. We validate the effectiveness of our approach on real-world neural scaling laws, comparing it against both the existing point estimation methods and Bayesian approaches. Our method demonstrates superior performance, particularly in data-limited scenarios such as Bayesian active learning, underscoring its potential for reliable, uncertainty-aware extrapolation in practical applications.
comment: Accepted to ICML 2025
♻ ☆ Task-aligned prompting improves zero-shot detection of AI-generated images by Vision-Language Models
As image generators produce increasingly realistic images, concerns about potential misuse continue to grow. Supervised detection relies on large, curated datasets and struggles to generalize across diverse generators. In this work, we investigate the use of pre-trained Vision-Language Models (VLMs) for zero-shot detection of AI-generated images. While off-the-shelf VLMs exhibit some task-specific reasoning and chain-of-thought prompting offers gains, we show that task-aligned prompting elicits more focused reasoning and significantly improves performance without fine-tuning. Specifically, prefixing the model's response with the phrase "Let's examine the style and the synthesis artifacts" -- a method we call zero-shot-s$^2$ -- boosts Macro F1 scores by 8%-29%. These gains are consistent for two widely used open-source models and across three recent, diverse datasets spanning human faces, objects, and animals with images generated by 16 different models -- demonstrating strong generalization. We further evaluate the approach across three additional model sizes and observe improvements in most dataset-model combinations -- suggesting robustness to model scale. Surprisingly, self-consistency, a behavior previously observed in language reasoning, where aggregating answers from diverse reasoning paths improves performance, also holds in this setting. Even here, zero-shot-s$^2$ scales better than chain-of-thought in most cases -- indicating that it elicits more useful diversity. Our findings show that task-aligned prompts elicit more focused reasoning and enhance latent capabilities in VLMs, like the detection of AI-generated images -- offering a simple, generalizable, and explainable alternative to supervised methods. Our code is publicly available on github: https://github.com/Zoher15/Zero-shot-s2.
♻ ☆ Compositional World Knowledge leads to High Utility Synthetic data
Machine learning systems struggle with robustness, under subpopulation shifts. This problem becomes especially pronounced in scenarios where only a subset of attribute combinations is observed during training -a severe form of subpopulation shift, referred as compositional shift. To address this problem, we ask the following question: Can we improve the robustness by training on synthetic data, spanning all possible attribute combinations? We first show that training of conditional diffusion models on limited data lead to incorrect underlying distribution. Therefore, synthetic data sampled from such models will result in unfaithful samples and does not lead to improve performance of downstream machine learning systems. To address this problem, we propose CoInD to reflect the compositional nature of the world by enforcing conditional independence through minimizing Fisher's divergence between joint and marginal distributions. We demonstrate that synthetic data generated by CoInD is faithful and this translates to state-of-the-art worst-group accuracy on compositional shift tasks on CelebA.
♻ ☆ Online Learning for Equilibrium Pricing in Markets under Incomplete Information
The computation of equilibrium prices at which the supply of goods matches their demand typically relies on complete information on agents' private attributes, e.g., suppliers' cost functions, which are often unavailable in practice. Motivated by this practical consideration, we consider the problem of learning equilibrium prices over a horizon of $T$ periods in the incomplete information setting wherein a market operator seeks to satisfy the customer demand for a commodity by purchasing it from competing suppliers with cost functions unknown to the operator. We first consider the setting when suppliers' cost functions are fixed and develop algorithms that, on three pertinent regret metrics, simultaneously achieve a regret of $O(1)$ when the customer demand is constant over time, and $O(\sqrt{T})$ when the demand varies over time. In the setting when the suppliers' cost functions vary over time, we demonstrate that, in general, no online algorithm can achieve sublinear regret on all three metrics. Thus, we consider an augmented setting wherein the operator has access to hints/contexts that reflect the variation in the cost functions and propose an algorithm with sublinear regret in this augmented setting. Finally, we present numerical experiments that validate our results and discuss various model extensions.
♻ ☆ Learning an Optimal Assortment Policy under Observational Data
We study the fundamental problem of offline assortment optimization under the Multinomial Logit (MNL) model, where sellers must determine the optimal subset of the products to offer based solely on historical customer choice data. While most existing approaches to learning-based assortment optimization focus on the online learning of the optimal assortment through repeated interactions with customers, such exploration can be costly or even impractical in many real-world settings. In this paper, we consider the offline learning paradigm and investigate the minimal data requirements for efficient offline assortment optimization. To this end, we introduce Pessimistic Rank-Breaking (PRB), an algorithm that combines rank-breaking with pessimistic estimation. We prove that PRB is nearly minimax optimal by establishing the tight suboptimality upper bound and a nearly matching lower bound. This further shows that "optimal item coverage" - where each item in the optimal assortment appears sufficiently often in the historical data - is both sufficient and necessary for efficient offline learning. This significantly relaxes the previous requirement of observing the complete optimal assortment in the data. Our results provide fundamental insights into the data requirements for offline assortment optimization under the MNL model.
♻ ☆ Towards Infant Sleep-Optimized Driving: Synergizing Wearable and Vehicle Sensing in Intelligent Cruise Control
Automated driving (AD) has substantially improved vehicle safety and driving comfort, but their impact on passenger well-being, particularly infant sleep, is not sufficiently studied. Sudden acceleration, abrupt braking, and sharp maneuvers can disrupt infant sleep, compromising both passenger comfort and parental convenience. To solve this problem, this paper explores the integration of reinforcement learning (RL) within AD to personalize driving behavior and optimally balance occupant comfort and travel efficiency. In particular, we propose an intelligent cruise control framework that adapts to varying driving conditions to enhance infant sleep quality by effectively synergizing wearable sensing and vehicle data. Long short-term memory (LSTM) and transformer-based neural networks are integrated with RL to model the relationship between driving behavior and infant sleep quality under diverse traffic and road conditions. Based on the sleep quality indicators from the wearable sensors, driving action data from vehicle controllers, and map data from map applications, the model dynamically computes the optimal driving aggressiveness level, which is subsequently translated into specific AD control strategies, e.g., the magnitude and frequency of acceleration, lane change, and overtaking. Simulation results demonstrate that the proposed solution significantly improves infant sleep quality compared to baseline methods, while preserving desirable travel efficiency.
♻ ☆ Speak Easy: Eliciting Harmful Jailbreaks from LLMs with Simple Interactions
Despite extensive safety alignment efforts, large language models (LLMs) remain vulnerable to jailbreak attacks that elicit harmful behavior. While existing studies predominantly focus on attack methods that require technical expertise, two critical questions remain underexplored: (1) Are jailbroken responses truly useful in enabling average users to carry out harmful actions? (2) Do safety vulnerabilities exist in more common, simple human-LLM interactions? In this paper, we demonstrate that LLM responses most effectively facilitate harmful actions when they are both actionable and informative--two attributes easily elicited in multi-step, multilingual interactions. Using this insight, we propose HarmScore, a jailbreak metric that measures how effectively an LLM response enables harmful actions, and Speak Easy, a simple multi-step, multilingual attack framework. Notably, by incorporating Speak Easy into direct request and jailbreak baselines, we see an average absolute increase of 0.319 in Attack Success Rate and 0.426 in HarmScore in both open-source and proprietary LLMs across four safety benchmarks. Our work reveals a critical yet often overlooked vulnerability: Malicious users can easily exploit common interaction patterns for harmful intentions.
♻ ☆ Conformal Prediction Sets for Deep Generative Models via Reduction to Conformal Regression
We consider the problem of generating valid and small prediction sets by sampling outputs (e.g., software code and natural language text) from a black-box deep generative model for a given input (e.g., textual prompt). The validity of a prediction set is determined by a user-defined binary admissibility function depending on the target application. For example, requiring at least one program in the set to pass all test cases in code generation application. To address this problem, we develop a simple and effective conformal inference algorithm referred to as Generative Prediction Sets (GPS). Given a set of calibration examples and black-box access to a deep generative model, GPS can generate prediction sets with provable guarantees. The key insight behind GPS is to exploit the inherent structure within the distribution over the minimum number of samples needed to obtain an admissible output to develop a simple conformal regression approach over the minimum number of samples. Experiments on multiple datasets for code and math word problems using different large language models demonstrate the efficacy of GPS over state-of-the-art methods.
♻ ☆ Sample Complexity of the Linear Quadratic Regulator: A Reinforcement Learning Lens
We provide the first known algorithm that provably achieves $\varepsilon$-optimality within $\widetilde{\mathcal{O}}(1/\varepsilon)$ function evaluations for the discounted discrete-time LQR problem with unknown parameters, without relying on two-point gradient estimates. These estimates are known to be unrealistic in many settings, as they depend on using the exact same initialization, which is to be selected randomly, for two different policies. Our results substantially improve upon the existing literature outside the realm of two-point gradient estimates, which either leads to $\widetilde{\mathcal{O}}(1/\varepsilon^2)$ rates or heavily relies on stability assumptions.
♻ ☆ Low-dimensional adaptation of diffusion models: Convergence in total variation
This paper investigates how diffusion generative models leverage (unknown) low-dimensional structure to accelerate sampling. Focusing on two mainstream samplers -- the denoising diffusion implicit model (DDIM) and the denoising diffusion probabilistic model (DDPM) -- and assuming accurate score estimates, we prove that their iteration complexities are no greater than the order of $k/\varepsilon$ (up to some log factor), where $\varepsilon$ is the precision in total variation distance and $k$ is some intrinsic dimension of the target distribution. Our results are applicable to a broad family of target distributions without requiring smoothness or log-concavity assumptions. Further, we develop a lower bound that suggests the (near) necessity of the coefficients introduced by Ho et al.(2020) and Song et al.(2020) in facilitating low-dimensional adaptation. Our findings provide the first rigorous evidence for the adaptivity of the DDIM-type samplers to unknown low-dimensional structure, and improve over the state-of-the-art DDPM theory regarding total variation convergence.
♻ ☆ Generalized Random Forests using Fixed-Point Trees
We propose a computationally efficient alternative to generalized random forests (GRFs) for estimating heterogeneous effects in large dimensions. While GRFs rely on a gradient-based splitting criterion, which in large dimensions is computationally expensive and unstable, our method introduces a fixed-point approximation that eliminates the need for Jacobian estimation. This gradient-free approach preserves GRF's theoretical guarantees of consistency and asymptotic normality while significantly improving computational efficiency. We demonstrate that our method achieves a speedup of multiple times over standard GRFs without compromising statistical accuracy. Experiments on both simulated and real-world data validate our approach. Our findings suggest that the proposed method is a scalable alternative for localized effect estimation in machine learning and causal inference applications
comment: 44 pages, 17 figures
♻ ☆ Regional climate risk assessment from climate models using probabilistic machine learning
Accurate, actionable climate information at km scales is crucial for robust natural hazard risk assessment and infrastructure planning. Simulating climate at these resolutions remains intractable, forcing reliance on downscaling: either physics-based or statistical methods that transform climate simulations from coarse to impact-relevant resolutions. One major challenge for downscaling is to comprehensively capture the interdependency among climate processes of interest, a prerequisite for representing climate hazards. However, current approaches either lack the desired scalability or are bespoke to specific types of hazards. We introduce GenFocal, a computationally efficient, general-purpose, end-to-end generative framework that gives rise to full probabilistic characterizations of complex climate processes interacting at fine spatiotemporal scales. GenFocal more accurately assesses extreme risk in the current climate than leading approaches, including one used in the US 5th National Climate Assessment. It produces plausible tracks of tropical cyclones, providing accurate statistics of their genesis and evolution, even when they are absent from the corresponding climate simulations. GenFocal also shows compelling results that are consistent with the literature on projecting climate impact on decadal timescales. GenFocal revolutionizes how climate simulations can be efficiently augmented with observations and harnessed to enable future climate impact assessments at the spatiotemporal scales relevant to local and regional communities. We believe this work establishes genAI as an effective paradigm for modeling complex, high-dimensional multivariate statistical correlations that have deterred precise quantification of climate risks associated with hazards such as wildfires, extreme heat, tropical cyclones, and flooding; thereby enabling the evaluation of adaptation strategies.
♻ ☆ Mildly-Interacting Fermionic Unitaries are Efficiently Learnable
Recent work has shown that one can efficiently learn fermionic Gaussian unitaries, also commonly known as nearest-neighbor matchcircuits or non-interacting fermionic unitaries. However, one could ask a similar question about unitaries that are near Gaussian: for example, unitaries prepared with a small number of non-Gaussian circuit elements. These operators find significance in quantum chemistry and many-body physics, yet no algorithm exists to learn them. We give the first such result by devising an algorithm which makes queries to an $n$-mode fermionic unitary $U$ prepared by at most $O(t)$ non-Gaussian gates and returns a circuit approximating $U$ to diamond distance $\varepsilon$ in time $\textrm{poly}(n,2^t,1/\varepsilon)$. This resolves a central open question of Mele and Herasymenko under the strongest distance metric. In fact, our algorithm is much more general: we define a property of unitary Gaussianity known as unitary Gaussian dimension and show that our algorithm can learn $n$-mode unitaries of Gaussian dimension at least $2n - O(t)$ in time $\textrm{poly}(n,2^t,1/\varepsilon)$. Indeed, this class subsumes unitaries prepared by at most $O(t)$ non-Gaussian gates but also includes several unitaries that require up to $2^{O(t)}$ non-Gaussian gates to construct. In addition, we give a $\textrm{poly}(n,1/\varepsilon)$-time algorithm to distinguish whether an $n$-mode unitary is of Gaussian dimension at least $k$ or $\varepsilon$-far from all such unitaries in Frobenius distance, promised that one is the case. Along the way, we prove structural results about near-Gaussian fermionic unitaries that are likely to be of independent interest.
comment: 30 pages, 4 figures
♻ ☆ SensLI: Sensitivity-Based Layer Insertion for Neural Networks
The training of neural networks requires tedious and often manual tuning of the network architecture. We propose a systematic approach to inserting new layers during the training process. Our method eliminates the need to choose a fixed network size before training, is numerically inexpensive to execute and applicable to various architectures including fully connected feedforward networks, ResNets and CNNs. Our technique borrows ideas from constrained optimization and is based on first-order sensitivity information of the loss function with respect to the virtual parameters that additional layers, if inserted, would offer. In numerical experiments, our proposed sensitivity-based layer insertion technique (SensLI) exhibits improved performance on training loss and test error, compared to training on a fixed architecture, and reduced computational effort in comparison to training the extended architecture from the beginning. Our code is available on https://github.com/mathemml/SensLI.
♻ ☆ Improved Off-policy Reinforcement Learning in Biological Sequence Design ICML 2025
Designing biological sequences with desired properties is challenging due to vast search spaces and limited evaluation budgets. Although reinforcement learning methods use proxy models for rapid reward evaluation, insufficient training data can cause proxy misspecification on out-of-distribution inputs. To address this, we propose a novel off-policy search, $\delta$-Conservative Search, that enhances robustness by restricting policy exploration to reliable regions. Starting from high-score offline sequences, we inject noise by randomly masking tokens with probability $\delta$, then denoise them using our policy. We further adapt $\delta$ based on proxy uncertainty on each data point, aligning the level of conservativeness with model confidence. Experimental results show that our conservative search consistently enhances the off-policy training, outperforming existing machine learning methods in discovering high-score sequences across diverse tasks, including DNA, RNA, protein, and peptide design.
comment: ICML 2025
♻ ☆ Neural Genetic Search in Discrete Spaces ICML 2025
Effective search methods are crucial for improving the performance of deep generative models at test time. In this paper, we introduce a novel test-time search method, Neural Genetic Search (NGS), which incorporates the evolutionary mechanism of genetic algorithms into the generation procedure of deep models. The core idea behind NGS is its crossover, which is defined as parent-conditioned generation using trained generative models. This approach offers a versatile and easy-to-implement search algorithm for deep generative models. We demonstrate the effectiveness and flexibility of NGS through experiments across three distinct domains: routing problems, adversarial prompt generation for language models, and molecular design.
comment: ICML 2025
♻ ☆ MultiMatch: Multihead Consistency Regularization Matching for Semi-Supervised Text Classification
We introduce MultiMatch, a novel semi-supervised learning (SSL) algorithm combining the paradigms of co-training and consistency regularization with pseudo-labeling. At its core, MultiMatch features a three-fold pseudo-label weighting module designed for three key purposes: selecting and filtering pseudo-labels based on head agreement and model confidence, and weighting them according to the perceived classification difficulty. This novel module enhances and unifies three existing techniques -- heads agreement from Multihead Co-training, self-adaptive thresholds from FreeMatch, and Average Pseudo-Margins from MarginMatch -- resulting in a holistic approach that improves robustness and performance in SSL settings. Experimental results on benchmark datasets highlight the superior performance of MultiMatch, achieving state-of-the-art results on 9 out of 10 setups from 5 natural language processing datasets and ranking first according to the Friedman test among 19 methods. Furthermore, MultiMatch demonstrates exceptional robustness in highly imbalanced settings, outperforming the second-best approach by 3.26% -- and data imbalance is a key factor for many text classification tasks.
♻ ☆ Maximizing Information in Domain-Invariant Representation Improves Transfer Learning
The most effective domain adaptation (DA) technique involves the decomposition of data representation into a domain-independent representation (DIRep) and a domain-dependent representation (DDRep). A classifier is trained by using the DIRep on the labeled source images. Since the DIRep is domain invariant, the classifier can be "transferred" to make predictions for the target domain with no (or few) labels. However, information useful for classification in the target domain can "hide" in the DDRep. Current DA algorithms, such as Domain-Separation Networks (DSN), do not adequately address this issue. DSN's weak constraint to enforce the orthogonality of DIRep and DDRep allows this hiding effect and can result in poor performance. To address this shortcoming, we develop a new algorithm wherein a stronger constraint is imposed to minimize the information content in DDRep to create a DIRep that retains relevant information about the target labels and, in turn, results in a better invariant representation. By using synthetic datasets, we show explicitly that depending on the initialization, DSN, with its weaker constraint, can lead to sub-optimal solutions with poorer DA performance. In contrast, our algorithm is robust against such perturbations. We demonstrate the equal-or-better performance of our approach against DSN and other recent DA methods by using several standard benchmark image datasets. We further highlight the compatibility of our algorithm with pre-trained models for classifying real-world images and showcase its adaptability and versatility through its application in network intrusion detection.
♻ ☆ TIP-Search: Time-Predictable Inference Scheduling for Market Prediction under Uncertain Load
This paper proposes TIP-Search, a time-predictable inference scheduling framework for real-time market prediction under uncertain workloads. Motivated by the strict latency demands in high-frequency financial systems, TIP-Search dynamically selects a deep learning model from a heterogeneous pool, aiming to maximize predictive accuracy while satisfying per-task deadline constraints. Our approach profiles latency and generalization performance offline, then performs online task-aware selection without relying on explicit input domain labels. We evaluate TIP-Search on three real-world limit order book datasets (FI-2010, Binance BTC/USDT, LOBSTER AAPL) and demonstrate that it outperforms static baselines with up to 8.5% improvement in accuracy and 100% deadline satisfaction. Our results highlight the effectiveness of TIP-Search in robust low-latency financial inference under uncertainty.
♻ ☆ NAROCE: A Neural Algorithmic Reasoner Framework for Online Complex Event Detection
Modern machine learning models excel at detecting individual actions, objects, or scene attributes from short, local observations. However, many real-world tasks, such as in smart cities and healthcare, require reasoning over complex events (CEs): (spatio)temporal, rule-governed patterns of short-term atomic events (AEs) that reflect high-level understanding and critical changes in the environment. These CEs are difficult to detect online: they are often rare, require long-range reasoning over noisy sensor data, must generalize rules beyond fixed-length traces, and suffer from limited real-world datasets due to the high annotation burden. We propose NAROCE, a Neural Algorithmic Reasoning framework for Online CE detection that separates the task into two stages: (i) learning CE rules from large-scale, low-cost pseudo AE concept traces generated by simulators or LLMs, and (ii) training an adapter to map real sensor data into the learned reasoning space using fewer labeled sensor samples. Experiments show that NAROCE outperforms the strongest baseline in accuracy, generalization to longer, unseen sequences, and data efficiency, achieving comparable performance with less than half the labeled data. These results suggest that decoupling CE rule learning from raw sensor inputs improves both data efficiency and robustness.
♻ ☆ Roboflow100-VL: A Multi-Domain Object Detection Benchmark for Vision-Language Models
Vision-language models (VLMs) trained on internet-scale data achieve remarkable zero-shot detection performance on common objects like car, truck, and pedestrian. However, state-of-the-art models still struggle to generalize to out-of-distribution classes, tasks and imaging modalities not typically found in their pre-training. Rather than simply re-training VLMs on more visual data, we argue that one should align VLMs to new concepts with annotation instructions containing a few visual examples and rich textual descriptions. To this end, we introduce Roboflow100-VL, a large-scale collection of 100 multi-modal object detection datasets with diverse concepts not commonly found in VLM pre-training. We evaluate state-of-the-art models on our benchmark in zero-shot, few-shot, semi-supervised, and fully-supervised settings, allowing for comparison across data regimes. Notably, we find that VLMs like GroundingDINO and Qwen2.5-VL achieve less than 2% zero-shot accuracy on challenging medical imaging datasets within Roboflow100-VL, demonstrating the need for few-shot concept alignment. Lastly, we discuss our recent CVPR 2025 Foundational FSOD competition and share insights from the community. Notably, the winning team significantly outperforms our baseline by 16.8 mAP! Our code and dataset are available at https://github.com/roboflow/rf100-vl/ and https://universe.roboflow.com/rf100-vl/
comment: The first two authors contributed equally. Project Page: https://rf100-vl.org/
♻ ☆ A dataset of high-resolution plantar pressures for gait analysis across varying footwear and walking speeds
Gait refers to the patterns of limb movement generated during walking, which are unique to each individual due to both physical and behavioral traits. Walking patterns have been widely studied in biometrics, biomechanics, sports, and rehabilitation. While traditional methods rely on video and motion capture, advances in plantar pressure sensing technology now offer deeper insights into gait. However, underfoot pressures during walking remain underexplored due to the lack of large, publicly accessible datasets. To address this, we introduce the UNB StepUP-P150 dataset: a footStep database for gait analysis and recognition using Underfoot Pressure, including data from 150 individuals. This dataset comprises high-resolution plantar pressure data (4 sensors per cm-squared) collected using a 1.2m by 3.6m pressure-sensing walkway. It contains over 200,000 footsteps from participants walking with various speeds (preferred, slow-to-stop, fast, and slow) and footwear conditions (barefoot, standard shoes, and two personal shoes), supporting advancements in biometric gait recognition and resenting new research opportunities in biomechanics and deep learning. UNB StepUP-P150 establishes a new benchmark for plantar pressure-based gait analysis and recognition.
♻ ☆ Whenever, Wherever: Towards Orchestrating Crowd Simulations with Spatio-Temporal Spawn Dynamics
Realistic crowd simulations are essential for immersive virtual environments, relying on both individual behaviors (microscopic dynamics) and overall crowd patterns (macroscopic characteristics). While recent data-driven methods like deep reinforcement learning improve microscopic realism, they often overlook critical macroscopic features such as crowd density and flow, which are governed by spatio-temporal spawn dynamics, namely, when and where agents enter a scene. Traditional methods, like random spawn rates, stochastic processes, or fixed schedules, are not guaranteed to capture the underlying complexity or lack diversity and realism. To address this issue, we propose a novel approach called nTPP-GMM that models spatio-temporal spawn dynamics using Neural Temporal Point Processes (nTPPs) that are coupled with a spawn-conditional Gaussian Mixture Model (GMM) for agent spawn and goal positions. We evaluate our approach by orchestrating crowd simulations of three diverse real-world datasets with nTPP-GMM. Our experiments demonstrate the orchestration with nTPP-GMM leads to realistic simulations that reflect real-world crowd scenarios and allow crowd analysis.
♻ ☆ What is the Right Notion of Distance between Predict-then-Optimize Tasks?
Comparing datasets is a fundamental task in machine learning, essential for various learning paradigms-from evaluating train and test datasets for model generalization to using dataset similarity for detecting data drift. While traditional notions of dataset distances offer principled measures of similarity, their utility has largely been assessed through prediction error minimization. However, in Predict-then-Optimize (PtO) frameworks, where predictions serve as inputs for downstream optimization tasks, model performance is measured through decision regret rather than prediction error. In this work, we propose OTD$^3$ (Optimal Transport Decision-aware Dataset Distance), a novel dataset distance that incorporates downstream decisions in addition to features and labels. We show that traditional feature-label distances lack informativeness in PtO settings, while OTD$^3$ more effectively captures adaptation success. We also derive a PtO-specific adaptation bound based on this distance. Empirically, we show that our proposed distance accurately predicts model transferability across three different PtO tasks from the literature. The code is available at https://github.com/paularodr/OTD3.
♻ ☆ EuroLLM-9B: Technical Report
This report presents EuroLLM-9B, a large language model trained from scratch to support the needs of European citizens by covering all 24 official European Union languages and 11 additional languages. EuroLLM addresses the issue of European languages being underrepresented and underserved in existing open large language models. We provide a comprehensive overview of EuroLLM-9B's development, including tokenizer design, architectural specifications, data filtering, and training procedures. We describe the pre-training data collection and filtering pipeline, including the creation of EuroFilter, an AI-based multilingual filter, as well as the design of EuroBlocks-Synthetic, a novel synthetic dataset for post-training that enhances language coverage for European languages. Evaluation results demonstrate EuroLLM-9B's competitive performance on multilingual benchmarks and machine translation tasks, establishing it as the leading open European-made LLM of its size. To support open research and adoption, we release all major components of this work, including the base and instruction-tuned models, the EuroFilter classifier, and the synthetic post-training dataset.
comment: 56 pages
♻ ☆ Rao-Blackwell Gradient Estimators for Equivariant Denoising Diffusion
In domains such as molecular and protein generation, physical systems exhibit inherent symmetries that are critical to model. Two main strategies have emerged for learning invariant distributions: designing equivariant network architectures and using data augmentation to approximate equivariance. While equivariant architectures preserve symmetry by design, they often involve greater complexity and pose optimization challenges. Data augmentation, on the other hand, offers flexibility but may fall short in fully capturing symmetries. Our framework enhances both approaches by reducing training variance and providing a provably lower-variance gradient estimator. We achieve this by interpreting data augmentation as a Monte Carlo estimator of the training gradient and applying Rao-Blackwellization. This leads to more stable optimization, faster convergence, and reduced variance, all while requiring only a single forward and backward pass per sample. We also present a practical implementation of this estimator incorporating the loss and sampling procedure through a method we call Orbit Diffusion. Theoretically, we guarantee that our loss admits equivariant minimizers. Empirically, Orbit Diffusion achieves state-of-the-art results on GEOM-QM9 for molecular conformation generation, improves crystal structure prediction, and advances text-guided crystal generation on the Perov-5 and MP-20 benchmarks. Additionally, it enhances protein designability in protein structure generation.
♻ ☆ Conformal Linguistic Calibration: Trading-off between Factuality and Specificity
Language model outputs are not always reliable, thus prompting research into how to adapt model responses based on uncertainty. Common approaches include: \emph{abstention}, where models refrain from generating responses when uncertain; and \emph{linguistic calibration}, where models hedge their statements using uncertainty quantifiers. However, abstention can withhold valuable information, while linguistically calibrated responses are often challenging to leverage in downstream tasks. We propose a unified view, Conformal Linguistic Calibration (CLC), which reinterprets linguistic calibration as \emph{answer set prediction}. First we present a framework connecting abstention and linguistic calibration through the lens of linguistic pragmatics. We then describe an implementation of CLC that allows for controlling the level of imprecision in model responses. Results demonstrate our method produces calibrated outputs with conformal guarantees on factual accuracy. Further, our approach enables fine-tuning models to perform uncertainty-aware adaptive claim rewriting, offering a controllable balance between factuality and specificity.
♻ ☆ Comment on The Illusion of Thinking: Understanding the Strengths and Limitations of Reasoning Models via the Lens of Problem Complexity
Shojaee et al. (2025) report that Large Reasoning Models (LRMs) exhibit "accuracy collapse" on planning puzzles beyond certain complexity thresholds. We demonstrate that their findings primarily reflect experimental design limitations rather than fundamental reasoning failures. Our analysis reveals three critical issues: (1) Tower of Hanoi experiments risk exceeding model output token limits, with models explicitly acknowledging these constraints in their outputs; (2) The authors' automated evaluation framework fails to distinguish between reasoning failures and practical constraints, leading to misclassification of model capabilities; (3) Most concerningly, their River Crossing benchmarks include mathematically impossible instances for N > 5 due to insufficient boat capacity, yet models are scored as failures for not solving these unsolvable problems. When we control for these experimental artifacts, by requesting generating functions instead of exhaustive move lists, preliminary experiments across multiple models indicate high accuracy on Tower of Hanoi instances previously reported as complete failures. These findings highlight the importance of careful experimental design when evaluating AI reasoning capabilities.
comment: Comment on: arXiv:2506.06941 Latest version removes Claude as a co-author, in line with arXiv policies, it also corrects mistakes in sections 4 and 6 of the original submission, as well as several typographical errors
♻ ☆ Causal Deep Learning
We derive a set of causal deep neural networks whose architectures are a consequence of tensor (multilinear) factor analysis, a framework that facilitates causal inference. Forward causal questions are addressed with a neural network architecture composed of causal capsules and a tensor transformer. Causal capsules compute a set of invariant causal factor representations, whose interactions are governed by a tensor transformation. Inverse causal questions are addressed with a neural network that implements the multilinear projection algorithm. The architecture reverses the order of operations of a forward neural network and estimates the causes of effects. As an alternative to aggressive bottleneck dimension reduction or regularized regression that may camouflage an inherently underdetermined inverse problem, we prescribe modeling different aspects of the mechanism of data formation with piecewise tensor models whose multilinear projections produce multiple candidate solutions. Our forward and inverse questions may be addressed with shallow architectures, but for computationally scalable solutions, we derive a set of deep neural networks by taking advantage of block algebra. An interleaved kernel hierarchy results in doubly non-linear tensor factor models. The causal neural networks that are a consequence of tensor factor analysis are data agnostic, but are illustrated with facial images. Sequential, parallel and asynchronous parallel computation strategies are described.
Genomics 4
☆ LapDDPM: A Conditional Graph Diffusion Model for scRNA-seq Generation with Spectral Adversarial Perturbations ICML 2025
Generating high-fidelity and biologically plausible synthetic single-cell RNA sequencing (scRNA-seq) data, especially with conditional control, is challenging due to its high dimensionality, sparsity, and complex biological variations. Existing generative models often struggle to capture these unique characteristics and ensure robustness to structural noise in cellular networks. We introduce LapDDPM, a novel conditional Graph Diffusion Probabilistic Model for robust and high-fidelity scRNA-seq generation. LapDDPM uniquely integrates graph-based representations with a score-based diffusion model, enhanced by a novel spectral adversarial perturbation mechanism on graph edge weights. Our contributions are threefold: we leverage Laplacian Positional Encodings (LPEs) to enrich the latent space with crucial cellular relationship information; we develop a conditional score-based diffusion model for effective learning and generation from complex scRNA-seq distributions; and we employ a unique spectral adversarial training scheme on graph edge weights, boosting robustness against structural variations. Extensive experiments on diverse scRNA-seq datasets demonstrate LapDDPM's superior performance, achieving high fidelity and generating biologically-plausible, cell-type-specific samples. LapDDPM sets a new benchmark for conditional scRNA-seq data generation, offering a robust tool for various downstream biological applications.
comment: LapDDPM is a novel conditional graph diffusion model for scRNA-seq generation. Leveraging spectral adversarial perturbations, it ensures robustness and yields high-fidelity, biologically plausible, and cell-type-specific samples for complex data. Proceedings of the ICML 2025 GenBio Workshop: The 2nd Workshop on Generative AI and Biology, Vancouver, Canada, 2025
☆ PhenoKG: Knowledge Graph-Driven Gene Discovery and Patient Insights from Phenotypes Alone
Identifying causative genes from patient phenotypes remains a significant challenge in precision medicine, with important implications for the diagnosis and treatment of genetic disorders. We propose a novel graph-based approach for predicting causative genes from patient phenotypes, with or without an available list of candidate genes, by integrating a rare disease knowledge graph (KG). Our model, combining graph neural networks and transformers, achieves substantial improvements over the current state-of-the-art. On the real-world MyGene2 dataset, it attains a mean reciprocal rank (MRR) of 24.64\% and nDCG@100 of 33.64\%, surpassing the best baseline (SHEPHERD) at 19.02\% MRR and 30.54\% nDCG@100. We perform extensive ablation studies to validate the contribution of each model component. Notably, the approach generalizes to cases where only phenotypic data are available, addressing key challenges in clinical decision support when genomic information is incomplete.
♻ ☆ MLOmics: Cancer Multi-Omics Database for Machine Learning
Framing the investigation of diverse cancers as a machine learning problem has recently shown significant potential in multi-omics analysis and cancer research. Empowering these successful machine learning models are the high-quality training datasets with sufficient data volume and adequate preprocessing. However, while there exist several public data portals, including The Cancer Genome Atlas (TCGA) multi-omics initiative or open-bases such as the LinkedOmics, these databases are not off-the-shelf for existing machine learning models. In this paper, we introduce MLOmics, an open cancer multi-omics database aiming at serving better the development and evaluation of bioinformatics and machine learning models. MLOmics contains 8,314 patient samples covering all 32 cancer types with four omics types, stratified features, and extensive baselines. Complementary support for downstream analysis and bio-knowledge linking are also included to support interdisciplinary analysis.
comment: This work has been published in Scientific Data
♻ ☆ SemanticST: Spatially Informed Semantic Graph Learning for Clustering, Integration, and Scalable Analysis of Spatial Transcriptomics
Spatial transcriptomics (ST) technologies enable gene expression profiling with spatial resolution, offering unprecedented insights into tissue organization and disease heterogeneity. However, current analysis methods often struggle with noisy data, limited scalability, and inadequate modelling of complex cellular relationships. We present SemanticST, a biologically informed, graph-based deep learning framework that models diverse cellular contexts through multi-semantic graph construction. SemanticST builds multiple context-specific graphs capturing spatial proximity, gene expression similarity, and tissue domain structure, and learns disentangled embeddings for each. These are fused using an attention-inspired strategy to yield a unified, biologically meaningful representation. A community-aware min-cut loss improves robustness over contrastive learning, particularly in sparse ST data. SemanticST supports mini-batch training, making it the first graph neural network scalable to large-scale datasets such as Xenium (500,000 cells). Benchmarking across four platforms (Visium, Slide-seq, Stereo-seq, Xenium) and multiple human and mouse tissues shows consistent 20 percentage gains in ARI, NMI, and trajectory fidelity over DeepST, GraphST, and IRIS. In re-analysis of breast cancer Xenium data, SemanticST revealed rare and clinically significant niches, including triple receptor-positive clusters, spatially distinct DCIS-to-IDC transition zones, and FOXC2 tumour-associated myoepithelial cells, suggesting non-canonical EMT programs with stem-like features. SemanticST thus provides a scalable, interpretable, and biologically grounded framework for spatial transcriptomics analysis, enabling robust discovery across tissue types and diseases, and paving the way for spatially resolved tissue atlases and next-generation precision medicine.
comment: 6 Figures
Quantitative Methods 13
☆ EUNIS Habitat Maps: Enhancing Thematic and Spatial Resolution for Europe through Machine Learning
The EUNIS habitat classification is crucial for categorising European habitats, supporting European policy on nature conservation and implementing the Nature Restoration Law. To meet the growing demand for detailed and accurate habitat information, we provide spatial predictions for 260 EUNIS habitat types at hierarchical level 3, together with independent validation and uncertainty analyses. Using ensemble machine learning models, together with high-resolution satellite imagery and ecologically meaningful climatic, topographic and edaphic variables, we produced a European habitat map indicating the most probable EUNIS habitat at 100-m resolution across Europe. Additionally, we provide information on prediction uncertainty and the most probable habitats at level 3 within each EUNIS level 1 formation. This product is particularly useful for both conservation and restoration purposes. Predictions were cross-validated at European scale using a spatial block cross-validation and evaluated against independent data from France (forests only), the Netherlands and Austria. The habitat maps obtained strong predictive performances on the validation datasets with distinct trade-offs in terms of recall and precision across habitat formations.
☆ Effective Stimulus Propagation in Neural Circuits: Driver Node Selection
Precise control of signal propagation in modular neural networks represents a fundamental challenge in computational neuroscience. We establish a framework for identifying optimal control nodes that maximize stimulus transmission between weakly coupled neural populations. Using spiking stochastic block model networks, we systematically compare driver node selection strategies - including random sampling and topology-based centrality measures (degree, betweenness, closeness, eigenvector, harmonic, and percolation centrality) - to determine minimal control inputs for achieving inter-population synchronization. Targeted stimulation of just 10-20% of the most central neurons in the source population significantly enhances spiking propagation fidelity compared to random selection. This approach yields a 2.7-fold increase in signal transfer efficiency at critical inter-module connection densities p_inter = 0.04-0.07. These findings establish a theoretical foundation for precision neuromodulation in biological neural systems and neurotechnology applications.
☆ Optical turbulence retrieval of heterogeneous media
Although the transport of intensity equation (TIE) can be used to reconstruct the spatial phase variations produced by samples such as magnetic materials and biological cells, the impact of complex refractive indices on quantitative phase imaging remains unexplored. To overcome this difficulty, we provide herein a more physically generalized TIE framework that enables the reconstruction of spatial variations in both refractive-index fluctuations and attenuation coefficients. We then demonstrate this method using bright-field microscopy imaging. The results reveal robust performance in retrieving heterogeneous optical structures within measurable parameter regions. Finally, we analyze the symmetry of the attenuation reversal in the TIE framework, thus revealing the invariant nature of the absorptive and scattering properties in the samples of interest.
comment: 6 pages, 3 figures in main text; 14 pages, 9 figures in the supplemental material
☆ PhenoKG: Knowledge Graph-Driven Gene Discovery and Patient Insights from Phenotypes Alone
Identifying causative genes from patient phenotypes remains a significant challenge in precision medicine, with important implications for the diagnosis and treatment of genetic disorders. We propose a novel graph-based approach for predicting causative genes from patient phenotypes, with or without an available list of candidate genes, by integrating a rare disease knowledge graph (KG). Our model, combining graph neural networks and transformers, achieves substantial improvements over the current state-of-the-art. On the real-world MyGene2 dataset, it attains a mean reciprocal rank (MRR) of 24.64\% and nDCG@100 of 33.64\%, surpassing the best baseline (SHEPHERD) at 19.02\% MRR and 30.54\% nDCG@100. We perform extensive ablation studies to validate the contribution of each model component. Notably, the approach generalizes to cases where only phenotypic data are available, addressing key challenges in clinical decision support when genomic information is incomplete.
☆ Inhibiting Alzheimer's Disease by Targeting Aggregation of Beta-Amyloid
Alzheimer's disease is characterized by dangerous amyloid plaques formed by deposits of the protein Beta-Amyloid aggregates in the brain. The specific amino acid sequence that is responsible for the aggregates of Beta-Amyloid is lys-leu-val-phe-phe (KLVFF). KLVFF aggregation inhibitors, which we design in this paper, prevent KLVFF from binding with itself to form oligomers or fibrils (and eventually plaques) that cause neuronal death. Our binder-blocker peptides are designed such that, on one side, they bind strongly to KLVFF, and on the other side, they disrupt critical interactions, thus preventing aggregation. Our methods use optimization techniques and molecular simulations and identify 10 candidate sequences for trial of the 3.2 million possible sequences. This approach for inhibitor identification can be generalized to other diseases characterized by protein aggregation, such as Parkinson's, Huntington's, and prion diseases.
☆ An 11,000-Study Open-Access Dataset of Longitudinal Magnetic Resonance Images of Brain Metastases
Brain metastases are a common complication of systemic cancer, affecting over 20% of patients with primary malignancies. Longitudinal magnetic resonance imaging (MRI) is essential for diagnosing patients, tracking disease progression, assessing therapeutic response, and guiding treatment selection. However, the manual review of longitudinal imaging is time-intensive, especially for patients with multifocal disease. Artificial intelligence (AI) offers opportunities to streamline image evaluation, but developing robust AI models requires comprehensive training data representative of real-world imaging studies. Thus, there is an urgent necessity for a large dataset with heterogeneity in imaging protocols and disease presentation. To address this, we present an open-access dataset of 11,884 longitudinal brain MRI studies from 1,430 patients with clinically confirmed brain metastases, paired with clinical and image metadata. The provided dataset will facilitate the development of AI models to assist in the long-term management of patients with brain metastasis.
☆ Beyond Black Boxes: Enhancing Interpretability of Transformers Trained on Neural Data
Transformer models have become state-of-the-art in decoding stimuli and behavior from neural activity, significantly advancing neuroscience research. Yet greater transparency in their decision-making processes would substantially enhance their utility in scientific and clinical contexts. Sparse autoencoders offer a promising solution by producing hidden units that respond selectively to specific variables, enhancing interpretability. Here, we introduce SAEs into a neural decoding framework by augmenting a transformer trained to predict visual stimuli from calcium imaging in the mouse visual cortex. The enhancement of the transformer model with an SAE preserved its original performance while yielding hidden units that selectively responded to interpretable features, such as stimulus orientation and genetic background. Furthermore, ablating units associated with a given variable impaired the model's ability to process that variable, revealing how specific internal representations support downstream computations. Together, these results demonstrate that integrating SAEs with transformers combines the power of modern deep learning with the interpretability essential for scientific understanding and clinical translation.
☆ BlastDiffusion: A Latent Diffusion Model for Generating Synthetic Embryo Images to Address Data Scarcity in In Vitro Fertilization
Accurately identifying oocytes that progress to the blastocyst stage is crucial in reproductive medicine, but the limited availability of annotated high-quality embryo images presents challenges for developing automated diagnostic tools. To address this, we propose BlastDiffusion, a generative model based on Latent Diffusion Models (LDMs) that synthesizes realistic oocyte images conditioned on developmental outcomes. Our approach utilizes a pretrained Variational Autoencoder (VAE) for latent space representation, combined with a diffusion process to generate images that distinguish between oocytes that reach the blastocyst stage and those that do not. When compared to Blastocyst-GAN, a GAN-based model we trained for this task, BlastDiffusion achieves superior performance, with a global Frechet Inception Distance (FID) of 94.32, significantly better than Blastocyst-GAN's FID of 232.73. Additionally, our model shows improvements in perceptual (LPIPS) and structural (SSIM) similarity to real oocyte images. Qualitative analysis further demonstrates that BlastDiffusion captures key morphological differences linked to developmental outcomes. These results highlight the potential of diffusion models in reproductive medicine, offering an effective tool for data augmentation and automated embryo assessment.
☆ A Silent Speech Decoding System from EEG and EMG with Heterogenous Electrode Configurations
Silent speech decoding, which performs unvocalized human speech recognition from electroencephalography/electromyography (EEG/EMG), increases accessibility for speech-impaired humans. However, data collection is difficult and performed using varying experimental setups, making it nontrivial to collect a large, homogeneous dataset. In this study we introduce neural networks that can handle EEG/EMG with heterogeneous electrode placements and show strong performance in silent speech decoding via multi-task training on large-scale EEG/EMG datasets. We achieve improved word classification accuracy in both healthy participants (95.3%), and a speech-impaired patient (54.5%), substantially outperforming models trained on single-subject data (70.1% and 13.2%). Moreover, our models also show gains in cross-language calibration performance. This increase in accuracy suggests the feasibility of developing practical silent speech decoding systems, particularly for speech-impaired patients.
comment: Accepted for presentation at Interspeech 2025. 5 pages, 4 figures, 2 tables
☆ Seq2Bind Webserver for Decoding Binding Hotspots directly from Sequences using Fine-Tuned Protein Language Models
Decoding protein-protein interactions (PPIs) at the residue level is crucial for understanding cellular mechanisms and developing targeted therapeutics. We present Seq2Bind Webserver, a computational framework that leverages fine-tuned protein language models (PLMs) to determine binding affinity between proteins and identify critical binding residues directly from sequences, eliminating the structural requirements that limit most affinity prediction tools. We fine-tuned four architectures including ProtBERT, ProtT5, ESM2, and BiLSTM on the SKEMPI 2.0 dataset containing 5,387 protein pairs with experimental binding affinities. Through systematic alanine mutagenesis on each residue for 14 therapeutically relevant protein complexes, we evaluated each model's ability to identify interface residues. Performance was assessed using N-factor metrics, where N-factor=3 evaluates whether true residues appear within 3n top predictions for n interface residues. ESM2 achieved 49.5% accuracy at N-factor=3, with both ESM2 (37.2%) and ProtBERT (35.1%) outperforming structural docking method HADDOCK3 (32.1%) at N-factor=2. Our sequence-based approach enables rapid screening (minutes versus hours for docking), handles disordered proteins, and provides comparable accuracy, making Seq2Bind a valuable prior to steer blind docking protocols to identify putative binding residues from each protein for therapeutic targets. Seq2Bind Webserver is accessible at https://agrivax.onrender.com under StructF suite.
♻ ☆ Generalized Inverse Optimal Control and its Application in Biology
Living organisms exhibit remarkable adaptations across all scales, from molecules to ecosystems. We believe that many of these adaptations correspond to optimal solutions driven by evolution, training, and underlying physical and chemical laws and constraints. While some argue against such optimality principles due to their potential ambiguity, we propose generalized inverse optimal control to infer them directly from data. This novel approach incorporates multi-criteria optimality, nestedness of objective functions on different scales, the presence of active constraints, the possibility of switches of optimality principles during the observed time horizon, maximization of robustness, and minimization of time as important special cases, as well as uncertainties involved with the mathematical modeling of biological systems. This data-driven approach ensures that optimality principles are not merely theoretical constructs but are firmly rooted in experimental observations. Furthermore, the inferred principles can be used in forward optimal control to predict and manipulate biological systems, with possible applications in bio-medicine, biotechnology, and agriculture. As discussed and illustrated, the well-posed problem formulation and the inference are challenging and require a substantial interdisciplinary effort in the development of theory and robust numerical methods.
♻ ☆ A Systematic Computational Framework for Practical Identifiability Analysis in Mathematical Models Arising from Biology
Practical identifiability is a critical concern in data-driven modeling of mathematical systems. In this paper, we propose a novel framework for practical identifiability analysis to evaluate parameter identifiability in mathematical models of biological systems. Starting with a rigorous mathematical definition of practical identifiability, we demonstrate its equivalence to the invertibility of the Fisher Information Matrix. Our framework establishes the relationship between practical identifiability and coordinate identifiability, introducing a novel metric that simplifies and accelerates the evaluation of parameter identifiability compared to the profile likelihood method. Additionally, we introduce new regularization terms to address non-identifiable parameters, enabling uncertainty quantification and improving model reliability. To guide experimental design, we present an optimal data collection algorithm that ensures all model parameters are practically identifiable. Applications to Hill functions, neural networks, and dynamic biological models demonstrate the feasibility and efficiency of the proposed computational framework in uncovering critical biological processes and identifying key observable variables.
comment: 20 pages,9 figures, 1 table
♻ ☆ Protein folding classes -- High-dimensional geometry of amino acid composition space revisited
In this study, the distributions of protein structure classes (or folding types) of experimentally determined structures from a legacy dataset and a comprehensive database SCOP are modeled precisely with geometric constructs such as convex polytopes in high-dimensional amino acid composition space. This is a follow-up of a previous non-statistical, geometry-motivated modeling of protein classes with ellipsoidal models, which are superseded presently in three important respects: (1) as a paradigm shift descriptive 'distribution model' of experimental data is de-coupled from, and serves as the basis for, possible future predictive 'domain model' generalizable to proteins in the same class for which 3D structures have yet to be determined experimentally, (2) the geometric and analytic characteristics of class distributions are obtained via exact computational geometry calculations, and (3) the full data from a comprehensive database are included in such calculations, eschewing training set selection and biases. In contrast to statistical and machine-learning approaches, the analytical, non-statistical geometry models of protein class distributions demonstrated in this study furnish complete and precise information on their size and relative disposition in the high-dimensional space (vis-\`a-vis any overlaps leading to ambiguity and limits in classification). Intended principally as accurate and summary description of the complex relationships between amino acid composition and protein classes, and suitably as a basis for predictive modeling where permissible, the results suggest that pen-ultimately they may be useful adjuncts for validating sequence-based protein structure predictions and contribute to theoretical and fundamental understanding of secondary structure formation and protein folding, demonstrating the role of high dimensional amino acid composition space in protein studies.
comment: 48 pages, 6 figures, 4 tables
Cell Behavior 1
☆ LapDDPM: A Conditional Graph Diffusion Model for scRNA-seq Generation with Spectral Adversarial Perturbations ICML 2025
Generating high-fidelity and biologically plausible synthetic single-cell RNA sequencing (scRNA-seq) data, especially with conditional control, is challenging due to its high dimensionality, sparsity, and complex biological variations. Existing generative models often struggle to capture these unique characteristics and ensure robustness to structural noise in cellular networks. We introduce LapDDPM, a novel conditional Graph Diffusion Probabilistic Model for robust and high-fidelity scRNA-seq generation. LapDDPM uniquely integrates graph-based representations with a score-based diffusion model, enhanced by a novel spectral adversarial perturbation mechanism on graph edge weights. Our contributions are threefold: we leverage Laplacian Positional Encodings (LPEs) to enrich the latent space with crucial cellular relationship information; we develop a conditional score-based diffusion model for effective learning and generation from complex scRNA-seq distributions; and we employ a unique spectral adversarial training scheme on graph edge weights, boosting robustness against structural variations. Extensive experiments on diverse scRNA-seq datasets demonstrate LapDDPM's superior performance, achieving high fidelity and generating biologically-plausible, cell-type-specific samples. LapDDPM sets a new benchmark for conditional scRNA-seq data generation, offering a robust tool for various downstream biological applications.
comment: LapDDPM is a novel conditional graph diffusion model for scRNA-seq generation. Leveraging spectral adversarial perturbations, it ensures robustness and yields high-fidelity, biologically plausible, and cell-type-specific samples for complex data. Proceedings of the ICML 2025 GenBio Workshop: The 2nd Workshop on Generative AI and Biology, Vancouver, Canada, 2025
Machine Learning 83
☆ Latent Representation Learning of Multi-scale Thermophysics: Application to Dynamics in Shocked Porous Energetic Material
Coupling of physics across length and time scales plays an important role in the response of microstructured materials to external loads. In a multi-scale framework, unresolved (subgrid) meso-scale dynamics is upscaled to the homogenized (macro-scale) representation of the heterogeneous material through closure models. Deep learning models trained using meso-scale simulation data are now a popular route to assimilate such closure laws. However, meso-scale simulations are computationally taxing, posing practical challenges in training deep learning-based surrogate models from scratch. In this work, we investigate an alternative meta-learning approach motivated by the idea of tokenization in natural language processing. We show that one can learn a reduced representation of the micro-scale physics to accelerate the meso-scale learning process by tokenizing the meso-scale evolution of the physical fields involved in an archetypal, albeit complex, reactive dynamics problem, \textit{viz.}, shock-induced energy localization in a porous energetic material. A probabilistic latent representation of \textit{micro}-scale dynamics is learned as building blocks for \textit{meso}-scale dynamics. The \textit{meso-}scale latent dynamics model learns the correlation between neighboring building blocks by training over a small dataset of meso-scale simulations. We compare the performance of our model with a physics-aware recurrent convolutional neural network (PARC) trained only on the full meso-scale dataset. We demonstrate that our model can outperform PARC with scarce meso-scale data. The proposed approach accelerates the development of closure models by leveraging inexpensive micro-scale simulations and fast training over a small meso-scale dataset, and can be applied to a range of multi-scale modeling problems.
comment: 28 pages, 15 figures
☆ Differentially Private Bilevel Optimization: Efficient Algorithms with Near-Optimal Rates
Bilevel optimization, in which one optimization problem is nested inside another, underlies many machine learning applications with a hierarchical structure -- such as meta-learning and hyperparameter optimization. Such applications often involve sensitive training data, raising pressing concerns about individual privacy. Motivated by this, we study differentially private bilevel optimization. We first focus on settings where the outer-level objective is \textit{convex}, and provide novel upper and lower bounds on the excess risk for both pure and approximate differential privacy, covering both empirical and population-level loss. These bounds are nearly tight and essentially match the optimal rates for standard single-level differentially private ERM and stochastic convex optimization (SCO), up to additional terms that capture the intrinsic complexity of the nested bilevel structure. The bounds are achieved in polynomial time via efficient implementations of the exponential and regularized exponential mechanisms. A key technical contribution is a new method and analysis of log-concave sampling under inexact function evaluations, which may be of independent interest. In the \textit{non-convex} setting, we develop novel algorithms with state-of-the-art rates for privately finding approximate stationary points. Notably, our bounds do not depend on the dimension of the inner problem.
☆ Humans, Machine Learning, and Language Models in Union: A Cognitive Study on Table Unionability
Data discovery and table unionability in particular became key tasks in modern Data Science. However, the human perspective for these tasks is still under-explored. Thus, this research investigates the human behavior in determining table unionability within data discovery. We have designed an experimental survey and conducted a comprehensive analysis, in which we assess human decision-making for table unionability. We use the observations from the analysis to develop a machine learning framework to boost the (raw) performance of humans. Furthermore, we perform a preliminary study on how LLM performance is compared to humans indicating that it is typically better to consider a combination of both. We believe that this work lays the foundations for developing future Human-in-the-Loop systems for efficient data discovery.
comment: 6 Pages, 4 figures, ACM SIGMOD HILDA '25 (Status-Accepted)
☆ Distributional Training Data Attribution
Randomness is an unavoidable part of training deep learning models, yet something that traditional training data attribution algorithms fail to rigorously account for. They ignore the fact that, due to stochasticity in the initialisation and batching, training on the same dataset can yield different models. In this paper, we address this shortcoming through introducing distributional training data attribution (d-TDA), the goal of which is to predict how the distribution of model outputs (over training runs) depends upon the dataset. We demonstrate the practical significance of d-TDA in experiments, e.g. by identifying training examples that drastically change the distribution of some target measurement without necessarily changing the mean. Intriguingly, we also find that influence functions (IFs), a popular but poorly-understood data attribution tool, emerge naturally from our distributional framework as the limit to unrolled differentiation; without requiring restrictive convexity assumptions. This provides a new mathematical motivation for their efficacy in deep learning, and helps to characterise their limitations.
☆ Reasoning Model Unlearning: Forgetting Traces, Not Just Answers, While Preserving Reasoning Skills
Recent advances in large reasoning models (LRMs) have enabled strong chain-of-thought (CoT) generation through test-time computation. While these multi-step reasoning capabilities represent a major milestone in language model performance, they also introduce new safety risks. In this work, we present the first systematic study to revisit the problem of machine unlearning in the context of LRMs. Machine unlearning refers to the process of removing the influence of sensitive, harmful, or undesired data or knowledge from a trained model without full retraining. We show that conventional unlearning algorithms, originally designed for non-reasoning models, are inadequate for LRMs. In particular, even when final answers are successfully erased, sensitive information often persists within the intermediate reasoning steps, i.e., CoT trajectories. To address this challenge, we extend conventional unlearning and propose Reasoning-aware Representation Misdirection for Unlearning ($R^2MU$), a novel method that effectively suppresses sensitive reasoning traces and prevents the generation of associated final answers, while preserving the model's reasoning ability. Our experiments demonstrate that $R^2MU$ significantly reduces sensitive information leakage within reasoning traces and achieves strong performance across both safety and reasoning benchmarks, evaluated on state-of-the-art models such as DeepSeek-R1-Distill-LLaMA-8B and DeepSeek-R1-Distill-Qwen-14B.
☆ Domain Specific Benchmarks for Evaluating Multimodal Large Language Models
Large language models (LLMs) are increasingly being deployed across disciplines due to their advanced reasoning and problem solving capabilities. To measure their effectiveness, various benchmarks have been developed that measure aspects of LLM reasoning, comprehension, and problem-solving. While several surveys address LLM evaluation and benchmarks, a domain-specific analysis remains underexplored in the literature. This paper introduces a taxonomy of seven key disciplines, encompassing various domains and application areas where LLMs are extensively utilized. Additionally, we provide a comprehensive review of LLM benchmarks and survey papers within each domain, highlighting the unique capabilities of LLMs and the challenges faced in their application. Finally, we compile and categorize these benchmarks by domain to create an accessible resource for researchers, aiming to pave the way for advancements toward artificial general intelligence (AGI)
☆ Forecasting Time Series with LLMs via Patch-Based Prompting and Decomposition
Recent advances in Large Language Models (LLMs) have demonstrated new possibilities for accurate and efficient time series analysis, but prior work often required heavy fine-tuning and/or ignored inter-series correlations. In this work, we explore simple and flexible prompt-based strategies that enable LLMs to perform time series forecasting without extensive retraining or the use of a complex external architecture. Through the exploration of specialized prompting methods that leverage time series decomposition, patch-based tokenization, and similarity-based neighbor augmentation, we find that it is possible to enhance LLM forecasting quality while maintaining simplicity and requiring minimal preprocessing of data. To this end, we propose our own method, PatchInstruct, which enables LLMs to make precise and effective predictions.
☆ Unsupervised risk factor identification across cancer types and data modalities via explainable artificial intelligence
Risk stratification is a key tool in clinical decision-making, yet current approaches often fail to translate sophisticated survival analysis into actionable clinical criteria. We present a novel method for unsupervised machine learning that directly optimizes for survival heterogeneity across patient clusters through a differentiable adaptation of the multivariate logrank statistic. Unlike most existing methods that rely on proxy metrics, our approach represents novel methodology for training any neural network architecture on any data modality to identify prognostically distinct patient groups. We thoroughly evaluate the method in simulation experiments and demonstrate its utility in practice by applying it to two distinct cancer types: analyzing laboratory parameters from multiple myeloma patients and computed tomography images from non-small cell lung cancer patients, identifying prognostically distinct patient subgroups with significantly different survival outcomes in both cases. Post-hoc explainability analyses uncover clinically meaningful features determining the group assignments which align well with established risk factors and thus lend strong weight to the methods utility. This pan-cancer, model-agnostic approach represents a valuable advancement in clinical risk stratification, enabling the discovery of novel prognostic signatures across diverse data types while providing interpretable results that promise to complement treatment personalization and clinical decision-making in oncology and beyond.
☆ Complexity Scaling Laws for Neural Models using Combinatorial Optimization
Recent work on neural scaling laws demonstrates that model performance scales predictably with compute budget, model size, and dataset size. In this work, we develop scaling laws based on problem complexity. We analyze two fundamental complexity measures: solution space size and representation space size. Using the Traveling Salesman Problem (TSP) as a case study, we show that combinatorial optimization promotes smooth cost trends, and therefore meaningful scaling laws can be obtained even in the absence of an interpretable loss. We then show that suboptimality grows predictably for fixed-size models when scaling the number of TSP nodes or spatial dimensions, independent of whether the model was trained with reinforcement learning or supervised fine-tuning on a static dataset. We conclude with an analogy to problem complexity scaling in local search, showing that a much simpler gradient descent of the cost landscape produces similar trends.
comment: 45 pages, 20 figures
☆ Sectoral Coupling in Linguistic State Space
This work presents a formal framework for quantifying the internal dependencies between functional subsystems within artificial agents whose belief states are composed of structured linguistic fragments. Building on the Semantic Manifold framework, which organizes belief content into functional sectors and stratifies them across hierarchical levels of abstraction, we introduce a system of sectoral coupling constants that characterize how one cognitive sector influences another within a fixed level of abstraction. The complete set of these constants forms an agent-specific coupling profile that governs internal information flow, shaping the agent's overall processing tendencies and cognitive style. We provide a detailed taxonomy of these intra-level coupling roles, covering domains such as perceptual integration, memory access and formation, planning, meta-cognition, execution control, and affective modulation. We also explore how these coupling profiles generate feedback loops, systemic dynamics, and emergent signatures of cognitive behavior. Methodologies for inferring these profiles from behavioral or internal agent data are outlined, along with a discussion of how these couplings evolve across abstraction levels. This framework contributes a mechanistic and interpretable approach to modeling complex cognition, with applications in AI system design, alignment diagnostics, and the analysis of emergent agent behavior.
comment: 56 pages, 12 figures
☆ PINNs Algorithmic Framework for Simulation of Nonlinear Burgers' Type Models
In this work, a physics-informed neural networks (PINNs) based algorithm is used for simulation of nonlinear 1D and 2D Burgers' type models. This scheme relies on a neural network built to approximate the problem solution and use a trial function that meets the initial data and boundary criteria. First of all, a brief mathematical formulation of the problem and the structure of PINNs, including the neural network architecture, loss construction, and training methodology is described. Finally, the algorithm is demonstrated with five test problems involving variations of the 1D coupled, 2D single and 2D coupled Burgers' models. We compare the PINN-based solutions with exact results to assess accuracy and convergence of the developed algorithm. The results demonstrate that PINNs may faithfully replicate nonlinear PDE solutions and offer competitive performance in terms of inaccuracy and flexibility. This work demonstrates the potential of PINNs as a reliable approach to solving complex time-dependent PDEs.
comment: 19 pages, 26 figures, 3 tables
☆ Jailbreak Strength and Model Similarity Predict Transferability
Jailbreaks pose an imminent threat to ensuring the safety of modern AI systems by enabling users to disable safeguards and elicit unsafe information. Sometimes, jailbreaks discovered for one model incidentally transfer to another model, exposing a fundamental flaw in safeguarding. Unfortunately, there is no principled approach to identify when jailbreaks will transfer from a source model to a target model. In this work, we observe that transfer success from a source model to a target model depends on quantifiable measures of both jailbreak strength with respect to the source model and the contextual representation similarity of the two models. Furthermore, we show transferability can be increased by distilling from the target model into the source model where the only target model responses used to train the source model are those to benign prompts. We show that the distilled source model can act as a surrogate for the target model, yielding more transferable attacks against the target model. These results suggest that the success of jailbreaks is not merely due to exploitation of safety training failing to generalize out-of-distribution, but instead a consequence of a more fundamental flaw in contextual representations computed by models.
☆ Logit Dynamics in Softmax Policy Gradient Methods
We analyzes the logit dynamics of softmax policy gradient methods. We derive the exact formula for the L2 norm of the logit update vector: $$ \|\Delta \mathbf{z}\|_2 \propto \sqrt{1-2P_c + C(P)} $$ This equation demonstrates that update magnitudes are determined by the chosen action's probability ($P_c$) and the policy's collision probability ($C(P)$), a measure of concentration inversely related to entropy. Our analysis reveals an inherent self-regulation mechanism where learning vigor is automatically modulated by policy confidence, providing a foundational insight into the stability and convergence of these methods.
comment: 7 pages
☆ Constraint-Guided Prediction Refinement via Deterministic Diffusion Trajectories
Many real-world machine learning tasks require outputs that satisfy hard constraints, such as physical conservation laws, structured dependencies in graphs, or column-level relationships in tabular data. Existing approaches rely either on domain-specific architectures and losses or on strong assumptions on the constraint space, restricting their applicability to linear or convex constraints. We propose a general-purpose framework for constraint-aware refinement that leverages denoising diffusion implicit models (DDIMs). Starting from a coarse prediction, our method iteratively refines it through a deterministic diffusion trajectory guided by a learned prior and augmented by constraint gradient corrections. The approach accommodates a wide class of non-convex and nonlinear equality constraints and can be applied post hoc to any base model. We demonstrate the method in two representative domains: constrained adversarial attack generation on tabular data with column-level dependencies and in AC power flow prediction under Kirchhoff's laws. Across both settings, our diffusion-guided refinement improves both constraint satisfaction and performance while remaining lightweight and model-agnostic.
☆ Variational Learning Finds Flatter Solutions at the Edge of Stability
Variational Learning (VL) has recently gained popularity for training deep neural networks and is competitive to standard learning methods. Part of its empirical success can be explained by theories such as PAC-Bayes bounds, minimum description length and marginal likelihood, but there are few tools to unravel the implicit regularization in play. Here, we analyze the implicit regularization of VL through the Edge of Stability (EoS) framework. EoS has previously been used to show that gradient descent can find flat solutions and we extend this result to VL to show that it can find even flatter solutions. This is obtained by controlling the posterior covariance and the number of Monte Carlo samples from the posterior. These results are derived in a similar fashion as the standard EoS literature for deep learning, by first deriving a result for a quadratic problem and then extending it to deep neural networks. We empirically validate these findings on a wide variety of large networks, such as ResNet and ViT, to find that the theoretical results closely match the empirical ones. Ours is the first work to analyze the EoS dynamics in VL.
☆ Evolutionary Developmental Biology Can Serve as the Conceptual Foundation for a New Design Paradigm in Artificial Intelligence
Artificial intelligence (AI), propelled by advancements in machine learning, has made significant strides in solving complex tasks. However, the current neural network-based paradigm, while effective, is heavily constrained by inherent limitations, primarily a lack of structural organization and a progression of learning that displays undesirable properties. As AI research progresses without a unifying framework, it either tries to patch weaknesses heuristically or draws loosely from biological mechanisms without strong theoretical foundations. Meanwhile, the recent paradigm shift in evolutionary understanding -- driven primarily by evolutionary developmental biology (EDB) -- has been largely overlooked in AI literature, despite a striking analogy between the Modern Synthesis and contemporary machine learning, evident in their shared assumptions, approaches, and limitations upon careful analysis. Consequently, the principles of adaptation from EDB that reshaped our understanding of the evolutionary process can also form the foundation of a unifying conceptual framework for the next design philosophy in AI, going beyond mere inspiration and grounded firmly in biology's first principles. This article provides a detailed overview of the analogy between the Modern Synthesis and modern machine learning, and outlines the core principles of a new AI design paradigm based on insights from EDB. To exemplify our analysis, we also present two learning system designs grounded in specific developmental principles -- regulatory connections, somatic variation and selection, and weak linkage -- that resolve multiple major limitations of contemporary machine learning in an organic manner, while also providing deeper insights into the role of these mechanisms in biological evolution.
☆ Silhouette-Guided Instance-Weighted k-means
Clustering is a fundamental unsupervised learning task with numerous applications across diverse fields. Popular algorithms such as k-means often struggle with outliers or imbalances, leading to distorted centroids and suboptimal partitions. We introduce K-Sil, a silhouette-guided refinement of the k-means algorithm that weights points based on their silhouette scores, prioritizing well-clustered instances while suppressing borderline or noisy regions. The algorithm emphasizes user-specified silhouette aggregation metrics: macro-, micro-averaged or a combination, through self-tuning weighting schemes, supported by appropriate sampling strategies and scalable approximations. These components ensure computational efficiency and adaptability to diverse dataset geometries. Theoretical guarantees establish centroid convergence, and empirical validation on synthetic and real-world datasets demonstrates statistically significant improvements in silhouette scores over k-means and two other instance-weighted k-means variants. These results establish K-Sil as a principled alternative for applications demanding high-quality, well-separated clusters.
comment: 27 pages including appendix
☆ MaskPro: Linear-Space Probabilistic Learning for Strict (N:M)-Sparsity on Large Language Models
The rapid scaling of large language models (LLMs) has made inference efficiency a primary bottleneck in the practical deployment. To address this, semi-structured sparsity offers a promising solution by strategically retaining $N$ elements out of every $M$ weights, thereby enabling hardware-friendly acceleration and reduced memory. However, existing (N:M)-compatible approaches typically fall into two categories: rule-based layerwise greedy search, which suffers from considerable errors, and gradient-driven combinatorial learning, which incurs prohibitive training costs. To tackle these challenges, we propose a novel linear-space probabilistic framework named MaskPro, which aims to learn a prior categorical distribution for every $M$ consecutive weights and subsequently leverages this distribution to generate the (N:M)-sparsity throughout an $N$-way sampling without replacement. Furthermore, to mitigate the training instability induced by the high variance of policy gradients in the super large combinatorial space, we propose a novel update method by introducing a moving average tracker of loss residuals instead of vanilla loss. Finally, we conduct comprehensive theoretical analysis and extensive experiments to validate the superior performance of MaskPro, as well as its excellent scalability in memory efficiency and exceptional robustness to data samples. Our code is available at https://github.com/woodenchild95/Maskpro.git.
comment: Preprint. Under review
☆ Intriguing Frequency Interpretation of Adversarial Robustness for CNNs and ViTs
Adversarial examples have attracted significant attention over the years, yet understanding their frequency-based characteristics remains insufficient. In this paper, we investigate the intriguing properties of adversarial examples in the frequency domain for the image classification task, with the following key findings. (1) As the high-frequency components increase, the performance gap between adversarial and natural examples becomes increasingly pronounced. (2) The model performance against filtered adversarial examples initially increases to a peak and declines to its inherent robustness. (3) In Convolutional Neural Networks, mid- and high-frequency components of adversarial examples exhibit their attack capabilities, while in Transformers, low- and mid-frequency components of adversarial examples are particularly effective. These results suggest that different network architectures have different frequency preferences and that differences in frequency components between adversarial and natural examples may directly influence model robustness. Based on our findings, we further conclude with three useful proposals that serve as a valuable reference to the AI model security community.
☆ Private List Learnability vs. Online List Learnability
This work explores the connection between differential privacy (DP) and online learning in the context of PAC list learning. In this setting, a $k$-list learner outputs a list of $k$ potential predictions for an instance $x$ and incurs a loss if the true label of $x$ is not included in the list. A basic result in the multiclass PAC framework with a finite number of labels states that private learnability is equivalent to online learnability [Alon, Livni, Malliaris, and Moran (2019); Bun, Livni, and Moran (2020); Jung, Kim, and Tewari (2020)]. Perhaps surprisingly, we show that this equivalence does not hold in the context of list learning. Specifically, we prove that, unlike in the multiclass setting, a finite $k$-Littlestone dimensio--a variant of the classical Littlestone dimension that characterizes online $k$-list learnability--is not a sufficient condition for DP $k$-list learnability. However, similar to the multiclass case, we prove that it remains a necessary condition. To demonstrate where the equivalence breaks down, we provide an example showing that the class of monotone functions with $k+1$ labels over $\mathbb{N}$ is online $k$-list learnable, but not DP $k$-list learnable. This leads us to introduce a new combinatorial dimension, the \emph{$k$-monotone dimension}, which serves as a generalization of the threshold dimension. Unlike the multiclass setting, where the Littlestone and threshold dimensions are finite together, for $k>1$, the $k$-Littlestone and $k$-monotone dimensions do not exhibit this relationship. We prove that a finite $k$-monotone dimension is another necessary condition for DP $k$-list learnability, alongside finite $k$-Littlestone dimension. Whether the finiteness of both dimensions implies private $k$-list learnability remains an open question.
☆ Transforming Chatbot Text: A Sequence-to-Sequence Approach
Due to advances in Large Language Models (LLMs) such as ChatGPT, the boundary between human-written text and AI-generated text has become blurred. Nevertheless, recent work has demonstrated that it is possible to reliably detect GPT-generated text. In this paper, we adopt a novel strategy to adversarially transform GPT-generated text using sequence-to-sequence (Seq2Seq) models, with the goal of making the text more human-like. We experiment with the Seq2Seq models T5-small and BART which serve to modify GPT-generated sentences to include linguistic, structural, and semantic components that may be more typical of human-authored text. Experiments show that classification models trained to distinguish GPT-generated text are significantly less accurate when tested on text that has been modified by these Seq2Seq models. However, after retraining classification models on data generated by our Seq2Seq technique, the models are able to distinguish the transformed GPT-generated text from human-generated text with high accuracy. This work adds to the accumulating knowledge of text transformation as a tool for both attack -- in the sense of defeating classification models -- and defense -- in the sense of improved classifiers -- thereby advancing our understanding of AI-generated text.
☆ Uncovering Social Network Activity Using Joint User and Topic Interaction
The emergence of online social platforms, such as social networks and social media, has drastically affected the way people apprehend the information flows to which they are exposed. In such platforms, various information cascades spreading among users is the main force creating complex dynamics of opinion formation, each user being characterized by their own behavior adoption mechanism. Moreover, the spread of multiple pieces of information or beliefs in a networked population is rarely uncorrelated. In this paper, we introduce the Mixture of Interacting Cascades (MIC), a model of marked multidimensional Hawkes processes with the capacity to model jointly non-trivial interaction between cascades and users. We emphasize on the interplay between information cascades and user activity, and use a mixture of temporal point processes to build a coupled user/cascade point process model. Experiments on synthetic and real data highlight the benefits of this approach and demonstrate that MIC achieves superior performance to existing methods in modeling the spread of information cascades. Finally, we demonstrate how MIC can provide, through its learned parameters, insightful bi-layered visualizations of real social network activity data.
comment: Equal contribution by the first two authors. Content: 13 pages, 8 figures, 4 tables
☆ Fair Bayesian Model-Based Clustering
Fair clustering has become a socially significant task with the advancement of machine learning technologies and the growing demand for trustworthy AI. Group fairness ensures that the proportions of each sensitive group are similar in all clusters. Most existing group-fair clustering methods are based on the $K$-means clustering and thus require the distance between instances and the number of clusters to be given in advance. To resolve this limitation, we propose a fair Bayesian model-based clustering called Fair Bayesian Clustering (FBC). We develop a specially designed prior which puts its mass only on fair clusters, and implement an efficient MCMC algorithm. Advantages of FBC are that it can infer the number of clusters and can be applied to any data type as long as the likelihood is defined (e.g., categorical data). Experiments on real-world datasets show that FBC (i) reasonably infers the number of clusters, (ii) achieves a competitive utility-fairness trade-off compared to existing fair clustering methods, and (iii) performs well on categorical data.
☆ General and Estimable Learning Bound Unifying Covariate and Concept Shifts
Generalization under distribution shift remains a core challenge in modern machine learning, yet existing learning bound theory is limited to narrow, idealized settings and is non-estimable from samples. In this paper, we bridge the gap between theory and practical applications. We first show that existing bounds become loose and non-estimable because their concept shift definition breaks when the source and target supports mismatch. Leveraging entropic optimal transport, we propose new support-agnostic definitions for covariate and concept shifts, and derive a novel unified error bound that applies to broad loss functions, label spaces, and stochastic labeling. We further develop estimators for these shifts with concentration guarantees, and the DataShifts algorithm, which can quantify distribution shifts and estimate the error bound in most applications -- a rigorous and general tool for analyzing learning error under distribution shift.
☆ Enhancing Rating-Based Reinforcement Learning to Effectively Leverage Feedback from Large Vision-Language Models ICML 2025
Designing effective reward functions remains a fundamental challenge in reinforcement learning (RL), as it often requires extensive human effort and domain expertise. While RL from human feedback has been successful in aligning agents with human intent, acquiring high-quality feedback is costly and labor-intensive, limiting its scalability. Recent advancements in foundation models present a promising alternative--leveraging AI-generated feedback to reduce reliance on human supervision in reward learning. Building on this paradigm, we introduce ERL-VLM, an enhanced rating-based RL method that effectively learns reward functions from AI feedback. Unlike prior methods that rely on pairwise comparisons, ERL-VLM queries large vision-language models (VLMs) for absolute ratings of individual trajectories, enabling more expressive feedback and improved sample efficiency. Additionally, we propose key enhancements to rating-based RL, addressing instability issues caused by data imbalance and noisy labels. Through extensive experiments across both low-level and high-level control tasks, we demonstrate that ERL-VLM significantly outperforms existing VLM-based reward generation methods. Our results demonstrate the potential of AI feedback for scaling RL with minimal human intervention, paving the way for more autonomous and efficient reward learning.
comment: Accepted to ICML 2025
☆ PDCNet: a benchmark and general deep learning framework for activity prediction of peptide-drug conjugates
Peptide-drug conjugates (PDCs) represent a promising therapeutic avenue for human diseases, particularly in cancer treatment. Systematic elucidation of structure-activity relationships (SARs) and accurate prediction of the activity of PDCs are critical for the rational design and optimization of these conjugates. To this end, we carefully design and construct a benchmark PDCs dataset compiled from literature-derived collections and PDCdb database, and then develop PDCNet, the first unified deep learning framework for forecasting the activity of PDCs. The architecture systematically captures the complex factors underlying anticancer decisions of PDCs in real-word scenarios through a multi-level feature fusion framework that collaboratively characterizes and learns the features of peptides, linkers, and payloads. Leveraging a curated PDCs benchmark dataset, comprehensive evaluation results show that PDCNet demonstrates superior predictive capability, with the highest AUC, F1, MCC and BA scores of 0.9213, 0.7656, 0.7071 and 0.8388 for the test set, outperforming eight established traditional machine learning models. Multi-level validations, including 5-fold cross-validation, threshold testing, ablation studies, model interpretability analysis and external independent testing, further confirm the superiority, robustness, and usability of the PDCNet architecture. We anticipate that PDCNet represents a novel paradigm, incorporating both a benchmark dataset and advanced models, which can accelerate the design and discovery of new PDC-based therapeutic agents.
☆ Nonlinear Model Order Reduction of Dynamical Systems in Process Engineering: Review and Comparison
Computationally cheap yet accurate enough dynamical models are vital for real-time capable nonlinear optimization and model-based control. When given a computationally expensive high-order prediction model, a reduction to a lower-order simplified model can enable such real-time applications. Herein, we review state-of-the-art nonlinear model order reduction methods and provide a theoretical comparison of method properties. Additionally, we discuss both general-purpose methods and tailored approaches for (chemical) process systems and we identify similarities and differences between these methods. As manifold-Galerkin approaches currently do not account for inputs in the construction of the reduced state subspace, we extend these methods to dynamical systems with inputs. In a comparative case study, we apply eight established model order reduction methods to an air separation process model: POD-Galerkin, nonlinear-POD-Galerkin, manifold-Galerkin, dynamic mode decomposition, Koopman theory, manifold learning with latent predictor, compartment modeling, and model aggregation. Herein, we do not investigate hyperreduction (reduction of FLOPS). Based on our findings, we discuss strengths and weaknesses of the model order reduction methods.
☆ Taking the GP Out of the Loop
Bayesian optimization (BO) has traditionally solved black box problems where evaluation is expensive and, therefore, design-evaluation pairs (i.e., observations) are few. Recently, there has been growing interest in applying BO to problems where evaluation is cheaper and, thus, observations are more plentiful. An impediment to scaling BO to many observations, $N$, is the $O(N^3)$ scaling of a na{\"i}ve query of the Gaussian process (GP) surrogate. Modern implementations reduce this to $O(N^2)$, but the GP remains a bottleneck. We propose Epistemic Nearest Neighbors (ENN), a surrogate that estimates function values and epistemic uncertainty from $K$ nearest-neighbor observations. ENN has $O(N)$ query time and omits hyperparameter fitting, leaving uncertainty uncalibrated. To accommodate the lack of calibration, we employ an acquisition method based on Pareto-optimal tradeoffs between predicted value and uncertainty. Our proposed method, TuRBO-ENN, replaces the GP surrogate in TuRBO with ENN and its Thompson sampling acquisition method with our Pareto-based alternative. We demonstrate numerically that TuRBO-ENN can reduce the time to generate proposals by one to two orders of magnitude compared to TuRBO and scales to thousands of observations.
comment: 12 pages, 11 figures
☆ TrojanTO: Action-Level Backdoor Attacks against Trajectory Optimization Models
Recent advances in Trajectory Optimization (TO) models have achieved remarkable success in offline reinforcement learning. However, their vulnerabilities against backdoor attacks are poorly understood. We find that existing backdoor attacks in reinforcement learning are based on reward manipulation, which are largely ineffective against the TO model due to its inherent sequence modeling nature. Moreover, the complexities introduced by high-dimensional action spaces further compound the challenge of action manipulation. To address these gaps, we propose TrojanTO, the first action-level backdoor attack against TO models. TrojanTO employs alternating training to enhance the connection between triggers and target actions for attack effectiveness. To improve attack stealth, it utilizes precise poisoning via trajectory filtering for normal performance and batch poisoning for trigger consistency. Extensive evaluations demonstrate that TrojanTO effectively implants backdoor attacks across diverse tasks and attack objectives with a low attack budget (0.3\% of trajectories). Furthermore, TrojanTO exhibits broad applicability to DT, GDT, and DC, underscoring its scalability across diverse TO model architectures.
comment: 23 pages, 6 figures
☆ Flow-Based Policy for Online Reinforcement Learning
We present \textbf{FlowRL}, a novel framework for online reinforcement learning that integrates flow-based policy representation with Wasserstein-2-regularized optimization. We argue that in addition to training signals, enhancing the expressiveness of the policy class is crucial for the performance gains in RL. Flow-based generative models offer such potential, excelling at capturing complex, multimodal action distributions. However, their direct application in online RL is challenging due to a fundamental objective mismatch: standard flow training optimizes for static data imitation, while RL requires value-based policy optimization through a dynamic buffer, leading to difficult optimization landscapes. FlowRL first models policies via a state-dependent velocity field, generating actions through deterministic ODE integration from noise. We derive a constrained policy search objective that jointly maximizes Q through the flow policy while bounding the Wasserstein-2 distance to a behavior-optimal policy implicitly derived from the replay buffer. This formulation effectively aligns the flow optimization with the RL objective, enabling efficient and value-aware policy learning despite the complexity of the policy class. Empirical evaluations on DMControl and Humanoidbench demonstrate that FlowRL achieves competitive performance in online reinforcement learning benchmarks.
☆ Lyapunov Learning at the Onset of Chaos ICML 2025
Handling regime shifts and non-stationary time series in deep learning systems presents a significant challenge. In the case of online learning, when new information is introduced, it can disrupt previously stored data and alter the model's overall paradigm, especially with non-stationary data sources. Therefore, it is crucial for neural systems to quickly adapt to new paradigms while preserving essential past knowledge relevant to the overall problem. In this paper, we propose a novel training algorithm for neural networks called \textit{Lyapunov Learning}. This approach leverages the properties of nonlinear chaotic dynamical systems to prepare the model for potential regime shifts. Drawing inspiration from Stuart Kauffman's Adjacent Possible theory, we leverage local unexplored regions of the solution space to enable flexible adaptation. The neural network is designed to operate at the edge of chaos, where the maximum Lyapunov exponent, indicative of a system's sensitivity to small perturbations, evolves around zero over time. Our approach demonstrates effective and significant improvements in experiments involving regime shifts in non-stationary systems. In particular, we train a neural network to deal with an abrupt change in Lorenz's chaotic system parameters. The neural network equipped with Lyapunov learning significantly outperforms the regular training, increasing the loss ratio by about $96\%$.
comment: Accepted at ICML 2025, HiLD: High-dimensional Learning Dynamics Workshop
☆ A Review of the Long Horizon Forecasting Problem in Time Series Analysis
The long horizon forecasting (LHF) problem has come up in the time series literature for over the last 35 years or so. This review covers aspects of LHF in this period and how deep learning has incorporated variants of trend, seasonality, fourier and wavelet transforms, misspecification bias reduction and bandpass filters while contributing using convolutions, residual connections, sparsity reduction, strided convolutions, attention masks, SSMs, normalization methods, low-rank approximations and gating mechanisms. We highlight time series decomposition techniques, input data preprocessing and dataset windowing schemes that improve performance. Multi-layer perceptron models, recurrent neural network hybrids, self-attention models that improve and/or address the performances of the LHF problem are described, with an emphasis on the feature space construction. Ablation studies are conducted over the ETTm2 dataset in the multivariate and univariate high useful load (HUFL) forecasting contexts, evaluated over the last 4 months of the dataset. The heatmaps of MSE averages per time step over test set series in the horizon show that there is a steady increase in the error proportionate to its length except with xLSTM and Triformer models and motivate LHF as an error propagation problem. The trained models are available here: https://bit.ly/LHFModelZoo
comment: Submitted to International Journal of Forecasting
☆ MetaEformer: Unveiling and Leveraging Meta-patterns for Complex and Dynamic Systems Load Forecasting
Time series forecasting is a critical and practical problem in many real-world applications, especially for industrial scenarios, where load forecasting underpins the intelligent operation of modern systems like clouds, power grids and traffic networks.However, the inherent complexity and dynamics of these systems present significant challenges. Despite advances in methods such as pattern recognition and anti-non-stationarity have led to performance gains, current methods fail to consistently ensure effectiveness across various system scenarios due to the intertwined issues of complex patterns, concept-drift, and few-shot problems. To address these challenges simultaneously, we introduce a novel scheme centered on fundamental waveform, a.k.a., meta-pattern. Specifically, we develop a unique Meta-pattern Pooling mechanism to purify and maintain meta-patterns, capturing the nuanced nature of system loads. Complementing this, the proposed Echo mechanism adaptively leverages the meta-patterns, enabling a flexible and precise pattern reconstruction. Our Meta-pattern Echo transformer (MetaEformer) seamlessly incorporates these mechanisms with the transformer-based predictor, offering end-to-end efficiency and interpretability of core processes. Demonstrating superior performance across eight benchmarks under three system scenarios, MetaEformer marks a significant advantage in accuracy, with a 37% relative improvement on fifteen state-of-the-art baselines.
☆ PDEfuncta: Spectrally-Aware Neural Representation for PDE Solution Modeling
Scientific machine learning often involves representing complex solution fields that exhibit high-frequency features such as sharp transitions, fine-scale oscillations, and localized structures. While implicit neural representations (INRs) have shown promise for continuous function modeling, capturing such high-frequency behavior remains a challenge-especially when modeling multiple solution fields with a shared network. Prior work addressing spectral bias in INRs has primarily focused on single-instance settings, limiting scalability and generalization. In this work, we propose Global Fourier Modulation (GFM), a novel modulation technique that injects high-frequency information at each layer of the INR through Fourier-based reparameterization. This enables compact and accurate representation of multiple solution fields using low-dimensional latent vectors. Building upon GFM, we introduce PDEfuncta, a meta-learning framework designed to learn multi-modal solution fields and support generalization to new tasks. Through empirical studies on diverse scientific problems, we demonstrate that our method not only improves representational quality but also shows potential for forward and inverse inference tasks without the need for retraining.
☆ Unconstrained Robust Online Convex Optimization
This paper addresses online learning with ``corrupted'' feedback. Our learner is provided with potentially corrupted gradients $\tilde g_t$ instead of the ``true'' gradients $g_t$. We make no assumptions about how the corruptions arise: they could be the result of outliers, mislabeled data, or even malicious interference. We focus on the difficult ``unconstrained'' setting in which our algorithm must maintain low regret with respect to any comparison point $u \in \mathbb{R}^d$. The unconstrained setting is significantly more challenging as existing algorithms suffer extremely high regret even with very tiny amounts of corruption (which is not true in the case of a bounded domain). Our algorithms guarantee regret $ \|u\|G (\sqrt{T} + k) $ when $G \ge \max_t \|g_t\|$ is known, where $k$ is a measure of the total amount of corruption. When $G$ is unknown we incur an extra additive penalty of $(\|u\|^2+G^2) k$.
☆ From Experts to a Generalist: Toward General Whole-Body Control for Humanoid Robots
Achieving general agile whole-body control on humanoid robots remains a major challenge due to diverse motion demands and data conflicts. While existing frameworks excel in training single motion-specific policies, they struggle to generalize across highly varied behaviors due to conflicting control requirements and mismatched data distributions. In this work, we propose BumbleBee (BB), an expert-generalist learning framework that combines motion clustering and sim-to-real adaptation to overcome these challenges. BB first leverages an autoencoder-based clustering method to group behaviorally similar motions using motion features and motion descriptions. Expert policies are then trained within each cluster and refined with real-world data through iterative delta action modeling to bridge the sim-to-real gap. Finally, these experts are distilled into a unified generalist controller that preserves agility and robustness across all motion types. Experiments on two simulations and a real humanoid robot demonstrate that BB achieves state-of-the-art general whole-body control, setting a new benchmark for agile, robust, and generalizable humanoid performance in the real world.
☆ RL from Physical Feedback: Aligning Large Motion Models with Humanoid Control
This paper focuses on a critical challenge in robotics: translating text-driven human motions into executable actions for humanoid robots, enabling efficient and cost-effective learning of new behaviors. While existing text-to-motion generation methods achieve semantic alignment between language and motion, they often produce kinematically or physically infeasible motions unsuitable for real-world deployment. To bridge this sim-to-real gap, we propose Reinforcement Learning from Physical Feedback (RLPF), a novel framework that integrates physics-aware motion evaluation with text-conditioned motion generation. RLPF employs a motion tracking policy to assess feasibility in a physics simulator, generating rewards for fine-tuning the motion generator. Furthermore, RLPF introduces an alignment verification module to preserve semantic fidelity to text instructions. This joint optimization ensures both physical plausibility and instruction alignment. Extensive experiments show that RLPF greatly outperforms baseline methods in generating physically feasible motions while maintaining semantic correspondence with text instruction, enabling successful deployment on real humanoid robots.
☆ Base3: a simple interpolation-based ensemble method for robust dynamic link prediction
Dynamic link prediction remains a central challenge in temporal graph learning, particularly in designing models that are both effective and practical for real-world deployment. Existing approaches often rely on complex neural architectures, which are computationally intensive and difficult to interpret. In this work, we build on the strong recurrence-based foundation of the EdgeBank baseline, by supplementing it with inductive capabilities. We do so by leveraging the predictive power of non-learnable signals from two complementary perspectives: historical edge recurrence, as captured by EdgeBank, and global node popularity, as introduced in the PopTrack model. We propose t-CoMem, a lightweight memory module that tracks temporal co-occurrence patterns and neighborhood activity. Building on this, we introduce Base3, an interpolation-based model that fuses EdgeBank, PopTrack, and t-CoMem into a unified scoring framework. This combination effectively bridges local and global temporal dynamics -- repetition, popularity, and context -- without relying on training. Evaluated on the Temporal Graph Benchmark, Base3 achieves performance competitive with state-of-the-art deep models, even outperforming them on some datasets. Importantly, it considerably improves on existing baselines' performance under more realistic and challenging negative sampling strategies -- offering a simple yet robust alternative for temporal graph learning.
comment: 9 pages
☆ On-board Sonar Data Classification for Path Following in Underwater Vehicles using Fast Interval Type-2 Fuzzy Extreme Learning Machine
In autonomous underwater missions, the successful completion of predefined paths mainly depends on the ability of underwater vehicles to recognise their surroundings. In this study, we apply the concept of Fast Interval Type-2 Fuzzy Extreme Learning Machine (FIT2-FELM) to train a Takagi-Sugeno-Kang IT2 Fuzzy Inference System (TSK IT2-FIS) for on-board sonar data classification using an underwater vehicle called BlueROV2. The TSK IT2-FIS is integrated into a Hierarchical Navigation Strategy (HNS) as the main navigation engine to infer local motions and provide the BlueROV2 with full autonomy to follow an obstacle-free trajectory in a water container of 2.5m x 2.5m x 3.5m. Compared to traditional navigation architectures, using the proposed method, we observe a robust path following behaviour in the presence of uncertainty and noise. We found that the proposed approach provides the BlueROV with a more complete sensory picture about its surroundings while real-time navigation planning is performed by the concurrent execution of two or more tasks.
☆ Hierarchical Group-wise Ranking Framework for Recommendation Models
In modern recommender systems, CTR/CVR models are increasingly trained with ranking objectives to improve item ranking quality. While this shift aligns training more closely with serving goals, most existing methods rely on in-batch negative sampling, which predominantly surfaces easy negatives. This limits the model's ability to capture fine-grained user preferences and weakens overall ranking performance. To address this, we propose a Hierarchical Group-wise Ranking Framework with two key components. First, we apply residual vector quantization to user embeddings to generate hierarchical user codes that partition users into hierarchical, trie-structured clusters. Second, we apply listwise ranking losses to user-item pairs at each level of the hierarchy, where shallow levels group loosely similar users and deeper levels group highly similar users, reinforcing learning-to-rank signals through progressively harder negatives. Since users with similar preferences and content exposure tend to yield more informative negatives, applying ranking losses within these hierarchical user groups serves as an effective approximation of hard negative mining. Our approach improves ranking performance without requiring complex real-time context collection or retrieval infrastructure. Extensive experiments demonstrate that the proposed framework consistently enhances both model calibration and ranking accuracy, offering a scalable and practical solution for industrial recommender systems.
☆ AFBS:Buffer Gradient Selection in Semi-asynchronous Federated Learning
Asynchronous federated learning (AFL) accelerates training by eliminating the need to wait for stragglers, but its asynchronous nature introduces gradient staleness, where outdated gradients degrade performance. Existing solutions address this issue with gradient buffers, forming a semi-asynchronous framework. However, this approach struggles when buffers accumulate numerous stale gradients, as blindly aggregating all gradients can harm training. To address this, we propose AFBS (Asynchronous FL Buffer Selection), the first algorithm to perform gradient selection within buffers while ensuring privacy protection. Specifically, the client sends the random projection encrypted label distribution matrix before training, and the server performs client clustering based on it. During training, server scores and selects gradients within each cluster based on their informational value, discarding low-value gradients to enhance semi-asynchronous federated learning. Extensive experiments in highly heterogeneous system and data environments demonstrate AFBS's superior performance compared to state-of-the-art methods. Notably, on the most challenging task, CIFAR-100, AFBS improves accuracy by up to 4.8% over the previous best algorithm and reduces the time to reach target accuracy by 75%.
♻ ☆ Hierarchical Transformer for Electrocardiogram Diagnosis
We propose a hierarchical Transformer for ECG analysis that combines depth-wise convolutions, multi-scale feature aggregation via a CLS token, and an attention-gated module to learn inter-lead relationships and enhance interpretability. The model is lightweight, flexible, and eliminates the need for complex attention or downsampling strategies.
TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets
Clinical trials are pivotal for developing new medical treatments but typically carry risks such as patient mortality and enrollment failure that waste immense efforts spanning over a decade. Applying artificial intelligence (AI) to predict key events in clinical trials holds great potential for providing insights to guide trial designs. However, complex data collection and question definition requiring medical expertise have hindered the involvement of AI thus far. This paper tackles these challenges by presenting a comprehensive suite of 23 meticulously curated AI-ready datasets covering multi-modal input features and 8 crucial prediction challenges in clinical trial design, encompassing prediction of trial duration, patient dropout rate, serious adverse event, mortality rate, trial approval outcome, trial failure reason, drug dose finding, design of eligibility criteria. Furthermore, we provide basic validation methods for each task to ensure the datasets' usability and reliability. We anticipate that the availability of such open-access datasets will catalyze the development of advanced AI approaches for clinical trial design, ultimately advancing clinical trial research and accelerating medical solution development.
comment: accepted by Nature Scientific Data
♻ ☆ Sequential Decision Making with Expert Demonstrations under Unobserved Heterogeneity
We study the problem of online sequential decision-making given auxiliary demonstrations from experts who made their decisions based on unobserved contextual information. These demonstrations can be viewed as solving related but slightly different problems than what the learner faces. This setting arises in many application domains, such as self-driving cars, healthcare, and finance, where expert demonstrations are made using contextual information, which is not recorded in the data available to the learning agent. We model the problem as zero-shot meta-reinforcement learning with an unknown distribution over the unobserved contextual variables and a Bayesian regret minimization objective, where the unobserved variables are encoded as parameters with an unknown prior. We propose the Experts-as-Priors algorithm (ExPerior), an empirical Bayes approach that utilizes expert data to establish an informative prior distribution over the learner's decision-making problem. This prior distribution enables the application of any Bayesian approach for online decision-making, such as posterior sampling. We demonstrate that our strategy surpasses existing behaviour cloning, online, and online-offline baselines for multi-armed bandits, Markov decision processes (MDPs), and partially observable MDPs, showcasing the broad reach and utility of ExPerior in using expert demonstrations across different decision-making setups.
♻ ☆ Unifying Specialized Visual Encoders for Video Language Models ICML 2025
The recent advent of Large Language Models (LLMs) has ushered sophisticated reasoning capabilities into the realm of video through Video Large Language Models (VideoLLMs). However, VideoLLMs currently rely on a single vision encoder for all of their visual processing, which limits the amount and type of visual information that can be conveyed to the LLM. Our method, MERV, Multi-Encoder Representation of Videos, instead leverages multiple frozen visual encoders to create a unified representation of a video, providing the VideoLLM with a comprehensive set of specialized visual knowledge. Spatio-temporally aligning the features from each encoder allows us to tackle a wider range of open-ended and multiple-choice video understanding questions and outperform prior state-of-the-art works. MERV is up to 3.7% better in accuracy than Video-LLaVA across the standard suite video understanding benchmarks, while also having a better Video-ChatGPT score. We also improve upon SeViLA, the previous best on zero-shot Perception Test accuracy, by 2.2%. MERV introduces minimal extra parameters and trains faster than equivalent single-encoder methods while parallelizing the visual processing. Finally, we provide qualitative evidence that MERV successfully captures domain knowledge from each of its encoders. Our results offer promising directions in utilizing multiple vision encoders for comprehensive video understanding.
comment: Accepted to ICML 2025 as a Poster. Project page: https://tylerzhu.com/merv/
♻ ☆ Building, Reusing, and Generalizing Abstract Representations from Concrete Sequences
Humans excel at learning abstract patterns across different sequences, filtering out irrelevant details, and transferring these generalized concepts to new sequences. In contrast, many sequence learning models lack the ability to abstract, which leads to memory inefficiency and poor transfer. We introduce a non-parametric hierarchical variable learning model (HVM) that learns chunks from sequences and abstracts contextually similar chunks as variables. HVM efficiently organizes memory while uncovering abstractions, leading to compact sequence representations. When learning on language datasets such as babyLM, HVM learns a more efficient dictionary than standard compression algorithms such as Lempel-Ziv. In a sequence recall task requiring the acquisition and transfer of variables embedded in sequences, we demonstrate HVM's sequence likelihood correlates with human recall times. In contrast, large language models (LLMs) struggle to transfer abstract variables as effectively as humans. From HVM's adjustable layer of abstraction, we demonstrate that the model realizes a precise trade-off between compression and generalization. Our work offers a cognitive model that captures the learning and transfer of abstract representations in human cognition and differentiates itself from LLMs.
♻ ☆ RNE: a plug-and-play framework for diffusion density estimation and inference-time control
In this paper, we introduce the Radon-Nikodym Estimator (RNE), a flexible, plug-and-play framework for diffusion inference-time density estimation and control, based on the concept of the density ratio between path distributions. RNE connects and unifies a variety of existing density estimation and inference-time control methods under a single and intuitive perspective, stemming from basic variational inference and probabilistic principles therefore offering both theoretical clarity and practical versatility. Experiments demonstrate that RNE delivers strong results in diffusion density estimation, and offers broad applicability to inference-time control tasks -- such as annealing, diffusion model composition, and reward-tilting -- with promising inference-time scaling performance.
comment: 44 pages; 14 figures
♻ ☆ AUnified Framework for Next-Gen Urban Forecasting via LLM-driven Dependency Retrieval and GeoTransformer
Urban forecasting has increasingly benefited from high-dimensional spatial data through two primary approaches: graph-based methods that rely on predefined spatial structures, and region-based methods that focus on learning expressive urban representations. Although these methods have laid a strong foundation, they either rely heavily on structured spatial data, struggle to adapt to task-specific dependencies, or fail to integrate holistic urban context. Moreover, no existing framework systematically integrates these two paradigms and overcomes their respective limitations. To address this gap, we propose a novel, unified framework for high-dimensional urban forecasting, composed of three key components: (1) the Urban Region Representation Module that organizes latent embeddings and semantic descriptions for each region, (2) the Task-aware Dependency Retrieval module that selects relevant context regions based on natural language prompts, and (3) the Prediction Module, exemplified by our proposed GeoTransformer architecture, which adopts a novel geospatial attention mechanism to incorporate spatial proximity and information entropy as priors. Our framework is modular, supports diverse representation methods and forecasting models, and can operate even with minimal input. Quantitative experiments and qualitative analysis across six urban forecasting tasks demonstrate strong task generalization and validate the framework's effectiveness.
♻ ☆ DeFoG: Discrete Flow Matching for Graph Generation ICML
Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited flexibility due to the tight coupling between training and sampling stages. We introduce DeFoG, a novel graph generative framework that disentangles sampling from training, enabling a broader design space for more effective and efficient model optimization. DeFoG employs a discrete flow-matching formulation that respects the inherent symmetries of graphs. We theoretically ground this disentangled formulation by explicitly relating the training loss to the sampling algorithm and showing that DeFoG faithfully replicates the ground truth graph distribution. Building on these foundations, we thoroughly investigate DeFoG's design space and propose novel sampling methods that significantly enhance performance and reduce the required number of refinement steps. Extensive experiments demonstrate state-of-the-art performance across synthetic, molecular, and digital pathology datasets, covering both unconditional and conditional generation settings. It also outperforms most diffusion-based models with just 5-10% of their sampling steps.
comment: The first two authors contributed equally to this work. Accepted at International Conference on Machine Learning (ICML) 2025
♻ ☆ Statistical Taylor Expansion
Statistical Taylor expansion replaces the input precise variables in a conventional Taylor expansion with random variables each with known distribution, to calculate the result mean and deviation. It is based on the uncorrelated uncertainty assumption: Each input variable is measured independently with fine enough statistical precision, so that their uncertainties are independent of each other. It requires each sampling count to be sufficiently large for accurate results. Statistical Taylor expansion reviews that the intermediate analytic expressions can no longer be regarded as independent of each other, and the result of analytic expression should be path independent. This conclusion differs fundamentally from the conventional common approach in applied mathematics to find the best execution path for a result. This paper also presents an implementation of statistical Taylor expansion called variance arithmetic, and the tests on variance arithmetic.
comment: 65 pages, 53 figures
Landscape of Thoughts: Visualizing the Reasoning Process of Large Language Models
Numerous applications of large language models (LLMs) rely on their ability to perform step-by-step reasoning. However, the reasoning behavior of LLMs remains poorly understood, posing challenges to research, development, and safety. To address this gap, we introduce landscape of thoughts-the first visualization tool for users to inspect the reasoning paths of chain-of-thought and its derivatives on any multi-choice dataset. Specifically, we represent the states in a reasoning path as feature vectors that quantify their distances to all answer choices. These features are then visualized in two-dimensional plots using t-SNE. Qualitative and quantitative analysis with the landscape of thoughts effectively distinguishes between strong and weak models, correct and incorrect answers, as well as different reasoning tasks. It also uncovers undesirable reasoning patterns, such as low consistency and high uncertainty. Additionally, users can adapt our tool to a model that predicts the property they observe. We showcase this advantage by adapting our tool to a lightweight verifier that evaluates the correctness of reasoning paths. Empirically, this verifier boosts the accuracy of reasoning as well as the test-time scaling effect. The code is publicly available at: https://github.com/tmlr-group/landscape-of-thoughts.
♻ ☆ On the performance of machine-learning-assisted Monte Carlo in sampling from simple statistical physics models
Recent years have seen a rise in the application of machine learning techniques to aid the simulation of hard-to-sample systems that cannot be studied using traditional methods. Despite the introduction of many different architectures and procedures, a wide theoretical understanding is still lacking, with the risk of suboptimal implementations. As a first step to address this gap, we provide here a complete analytic study of the widely-used Sequential Tempering procedure applied to a shallow MADE architecture for the Curie-Weiss model. The contribution of this work is twofold: firstly, we give a description of the optimal weights and of the training under Gradient Descent optimization. Secondly, we compare what happens in Sequential Tempering with and without the addition of local Metropolis Monte Carlo steps. We are thus able to give theoretical predictions on the best procedure to apply in this case. This work establishes a clear theoretical basis for the integration of machine learning techniques into Monte Carlo sampling and optimization.
comment: 17 pages, 10 figures
♻ ☆ From Argumentative Text to Argument Knowledge Graph: A New Framework for Structured Argumentation
This paper presents a framework to convert argumentative texts into argument knowledge graphs (AKG). Starting with basic annotations of argumentative components (ACs) and argumentative relations (ARs), we enrich the information by constructing a knowledge base (KB) graph with metadata attributes for nodes. Next, we use premises and inference rules from the KB to form arguments by applying modus ponens. From these arguments, we create an AKG. The nodes and edges of the AKG have attributes that capture important argumentative features. We also find missing inference rules by identifying markers. This makes it possible to identify undercut attacks that were previously undetectable in existing datasets. The AKG gives a graphical view of the argumentative structure that is easier to understand than theoretical formats. It also prepares the ground for future reasoning tasks, including checking the coherence of arguments and identifying opportunities for revision. For this, it is important to find indirect relations, many of which are implicit. Our proposed AKG format, with annotated inference rules and modus ponens, will help reasoning models learn the implicit indirect relations that require inference over arguments and the relations between them.
comment: 16 pages, 7 figures
♻ ☆ Concurrent Learning with Aggregated States via Randomized Least Squares Value Iteration
Designing learning agents that explore efficiently in a complex environment has been widely recognized as a fundamental challenge in reinforcement learning. While a number of works have demonstrated the effectiveness of techniques based on randomized value functions on a single agent, it remains unclear, from a theoretical point of view, whether injecting randomization can help a society of agents {\it concurently} explore an environment. The theoretical results %that we established in this work tender an affirmative answer to this question. We adapt the concurrent learning framework to \textit{randomized least-squares value iteration} (RLSVI) with \textit{aggregated state representation}. We demonstrate polynomial worst-case regret bounds in both finite- and infinite-horizon environments. In both setups the per-agent regret decreases at an optimal rate of $\Theta\left(\frac{1}{\sqrt{N}}\right)$, highlighting the advantage of concurent learning. Our algorithm exhibits significantly lower space complexity compared to \cite{russo2019worst} and \cite{agrawal2021improved}. We reduce the space complexity by a factor of $K$ while incurring only a $\sqrt{K}$ increase in the worst-case regret bound, compared to \citep{agrawal2021improved,russo2019worst}. Additionally, we conduct numerical experiments to demonstrate our theoretical findings.
♻ ☆ Quantifying Memorization and Parametric Response Rates in Retrieval-Augmented Vision-Language Models
Large Language Models (LLMs) demonstrate remarkable capabilities in question answering (QA), but metrics for assessing their reliance on memorization versus retrieval remain underdeveloped. Moreover, while finetuned models are state-of-the-art on closed-domain tasks, general-purpose models like GPT-4o exhibit strong zero-shot performance. This raises questions about the trade-offs between memorization, generalization, and retrieval. In this work, we analyze the extent to which multimodal retrieval-augmented VLMs memorize training data compared to baseline VLMs. Using the WebQA benchmark, we contrast finetuned models with baseline VLMs on multihop retrieval and question answering, examining the impact of finetuning on data memorization. To quantify memorization in end-to-end retrieval and QA systems, we propose several proxy metrics by investigating instances where QA succeeds despite retrieval failing. In line with existing work, we find that finetuned models rely more heavily on memorization than retrieval-augmented VLMs, and achieve higher accuracy as a result (72% vs 52% on WebQA test set). Finally, we present the first empirical comparison of the parametric effect between text and visual modalities. Here, we find that image-based questions have parametric response rates that are consistently 15-25% higher than for text-based questions in the WebQA dataset. As such, our measures pose a challenge for future work, both to account for differences in model memorization across different modalities and more generally to reconcile memorization and generalization in joint Retrieval-QA tasks.
♻ ☆ Layer by Layer: Uncovering Hidden Representations in Language Models ICML2025
From extracting features to generating text, the outputs of large language models (LLMs) typically rely on the final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks across various architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features, challenging the standard view on final-layer embeddings and opening new directions on using mid-layer representations for more robust and accurate representations.
comment: update for ICML2025 camera-ready
♻ ☆ An Auditing Test To Detect Behavioral Shift in Language Models
As language models (LMs) approach human-level performance, a comprehensive understanding of their behavior becomes crucial. This includes evaluating capabilities, biases, task performance, and alignment with societal values. Extensive initial evaluations, including red teaming and diverse benchmarking, can establish a model's behavioral profile. However, subsequent fine-tuning or deployment modifications may alter these behaviors in unintended ways. We present a method for continual Behavioral Shift Auditing (BSA) in LMs. Building on recent work in hypothesis testing, our auditing test detects behavioral shifts solely through model generations. Our test compares model generations from a baseline model to those of the model under scrutiny and provides theoretical guarantees for change detection while controlling false positives. The test features a configurable tolerance parameter that adjusts sensitivity to behavioral changes for different use cases. We evaluate our approach using two case studies: monitoring changes in (a) toxicity and (b) translation performance. We find that the test is able to detect meaningful changes in behavior distributions using just hundreds of examples.
comment: 25 pages, 12 figures
♻ ☆ Gradient-Guided Annealing for Domain Generalization CVPR2025
Domain Generalization (DG) research has gained considerable traction as of late, since the ability to generalize to unseen data distributions is a requirement that eludes even state-of-the-art training algorithms. In this paper we observe that the initial iterations of model training play a key role in domain generalization effectiveness, since the loss landscape may be significantly different across the training and test distributions, contrary to the case of i.i.d. data. Conflicts between gradients of the loss components of each domain lead the optimization procedure to undesirable local minima that do not capture the domain-invariant features of the target classes. We propose alleviating domain conflicts in model optimization, by iteratively annealing the parameters of a model in the early stages of training and searching for points where gradients align between domains. By discovering a set of parameter values where gradients are updated towards the same direction for each data distribution present in the training set, the proposed Gradient-Guided Annealing (GGA) algorithm encourages models to seek out minima that exhibit improved robustness against domain shifts. The efficacy of GGA is evaluated on five widely accepted and challenging image classification domain generalization benchmarks, where its use alone is able to establish highly competitive or even state-of-the-art performance. Moreover, when combined with previously proposed domain-generalization algorithms it is able to consistently improve their effectiveness by significant margins.
comment: Paper accepted in CVPR2025. This version corrects typos in formula 5
♻ ☆ EDELINE: Enhancing Memory in Diffusion-based World Models via Linear-Time Sequence Modeling
World models represent a promising approach for training reinforcement learning agents with significantly improved sample efficiency. While most world model methods primarily rely on sequences of discrete latent variables to model environment dynamics, this compression often neglects critical visual details essential for reinforcement learning. Recent diffusion-based world models condition generation on a fixed context length of frames to predict the next observation, using separate recurrent neural networks to model rewards and termination signals. Although this architecture effectively enhances visual fidelity, the fixed context length approach inherently limits memory capacity. In this paper, we introduce EDELINE, a unified world model architecture that integrates state space models with diffusion models. Our approach outperforms existing baselines across visually challenging Atari 100k tasks, memory-demanding Crafter benchmark, and 3D first-person ViZDoom environments, demonstrating superior performance in all these diverse challenges.
comment: 31 pages
♻ ☆ CASE: Contrastive Activation for Saliency Estimation
Saliency methods are widely used to visualize which input features are deemed relevant to a model's prediction. However, their visual plausibility can obscure critical limitations. In this work, we propose a diagnostic test for class sensitivity: a method's ability to distinguish between competing class labels on the same input. Through extensive experiments, we show that many widely used saliency methods produce nearly identical explanations regardless of the class label, calling into question their reliability. We find that class-insensitive behavior persists across architectures and datasets, suggesting the failure mode is structural rather than model-specific. Motivated by these findings, we introduce CASE, a contrastive explanation method that isolates features uniquely discriminative for the predicted class. We evaluate CASE using the proposed diagnostic and a perturbation-based fidelity test, and show that it produces faithful and more class-specific explanations than existing methods.
comment: 9 pages, 5 figures
♻ ☆ How Sparse Can We Prune A Deep Network: A Fundamental Limit Viewpoint
Network pruning is a commonly used measure to alleviate the storage and computational burden of deep neural networks. However, the fundamental limit of network pruning is still lacking. To close the gap, in this work we'll take a first-principles approach, i.e. we'll directly impose the sparsity constraint on the loss function and leverage the framework of statistical dimension in convex geometry, thus enabling us to characterize the sharp phase transition point, which can be regarded as the fundamental limit of the pruning ratio. Through this limit, we're able to identify two key factors that determine the pruning ratio limit, namely, weight magnitude and network sharpness. Generally speaking, the flatter the loss landscape or the smaller the weight magnitude, the smaller pruning ratio. Moreover, we provide efficient countermeasures to address the challenges in the computation of the pruning limit, which mainly involves the accurate spectrum estimation of a large-scale and non-positive Hessian matrix. Moreover, through the lens of the pruning ratio threshold, we can also provide rigorous interpretations on several heuristics in existing pruning algorithms. Extensive experiments are performed which demonstrate that our theoretical pruning ratio threshold coincides very well with the experiments. All codes are available at: https://github.com/QiaozheZhang/Global-One-shot-Pruning
♻ ☆ Life-Code: Central Dogma Modeling with Multi-Omics Sequence Unification
The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these macromolecules individually, their interconnected nature remains underexplored. This paper follows the guidance of the central dogma to redesign both the data and model pipeline and offers a comprehensive framework, Life-Code, that spans different biological functions. As for data flow, we propose a unified pipeline to integrate multi-omics data by reverse-transcribing RNA and reverse-translating amino acids into nucleotide-based sequences. As for the model, we design a codon tokenizer and a hybrid long-sequence architecture to encode the interactions between coding and non-coding regions through masked modeling pre-training. To model the translation and folding process with coding sequences, Life-Code learns protein structures of the corresponding amino acids by knowledge distillation from off-the-shelf protein language models. Such designs enable Life-Code to capture complex interactions within genetic sequences, providing a more comprehensive understanding of multi-omics with the central dogma. Extensive experiments show that Life-Code achieves state-of-the-art results on various tasks across three omics, highlighting its potential for advancing multi-omics analysis and interpretation.
comment: Preprint V2 (14 pages main text)
♻ ☆ Latent Structured Hopfield Network for Semantic Association and Retrieval
Episodic memory enables humans to recall past experiences by associating semantic elements such as objects, locations, and time into coherent event representations. While large pretrained models have shown remarkable progress in modeling semantic memory, the mechanisms for forming associative structures that support episodic memory remain underexplored. Inspired by hippocampal CA3 dynamics and its role in associative memory, we propose the Latent Structured Hopfield Network (LSHN), a biologically inspired framework that integrates continuous Hopfield attractor dynamics into an autoencoder architecture. LSHN mimics the cortical-hippocampal pathway: a semantic encoder extracts compact latent representations, a latent Hopfield network performs associative refinement through attractor convergence, and a decoder reconstructs perceptual input. Unlike traditional Hopfield networks, our model is trained end-to-end with gradient descent, achieving scalable and robust memory retrieval. Experiments on MNIST, CIFAR-10, and a simulated episodic memory task demonstrate superior performance in recalling corrupted inputs under occlusion and noise, outperforming existing associative memory models. Our work provides a computational perspective on how semantic elements can be dynamically bound into episodic memory traces through biologically grounded attractor mechanisms. Code: https://github.com/fudan-birlab/LSHN.
♻ ☆ FlatQuant: Flatness Matters for LLM Quantization ICML 20205
Recently, quantization has been widely used for the compression and acceleration of large language models (LLMs). Due to the outliers in LLMs, it is crucial to flatten weights and activations to minimize quantization error with equally spaced quantization points. Prior research explores various pre-quantization transformations to suppress outliers, such as per-channel scaling and Hadamard transformation. However, we observe that these transformed weights and activations can still exhibit steep and dispersed distributions. In this paper, we propose FlatQuant (Fast and Learnable Affine Transformation), a new post-training quantization approach that enhances the flatness of weights and activations. Our approach identifies optimal affine transformations for each linear layer, calibrated in hours via a lightweight objective. To reduce runtime overhead of affine transformation, we apply Kronecker product with two lightweight matrices, and fuse all operations in FlatQuant into a single kernel. Extensive experiments demonstrate that FlatQuant establishes a new state-of-the-art benchmark for quantization. For example, it achieves less than 1\% accuracy drop for W4A4 quantization on the LLaMA-3-70B model, surpassing SpinQuant by 7.5\%. Additionally, it provides up to 2.3x prefill speedup and 1.7x decoding speedup compared to the FP16 model. Code is available at: https://github.com/ruikangliu/FlatQuant.
comment: 27 pages, accepted to ICML 20205
♻ ☆ Scaling Laws For Mixed Qquantization
Post-training quantization of Large Language Models (LLMs) has proven effective in reducing the memory and computational requirements for inference. In this study, we focus on a straightforward question: When aiming for a target accuracy or perplexity with low-precision quantization, how much high-precision computation needs to be preserved and how fine-grained this quantization would need to be as we scale LLMs to larger sizes? We first introduce two critical metrics named the quantization ratio ($Q_r$) and quantization block size ($Q_b$). The former measures the number of parameters quantized to low-precision arithmetic normalized by the total parameter count, whereas the latter defines the number of values within a block that share a scaling factor, akin to the block size concept introduced in the FP4 format in NVIDIA's Blackwell architecture. Through extensive and carefully controlled experiments across different model and quantization methods, we propose a unified scaling law on post-training quantization (PTQ) that can predict loss degeneration for varying $Q_r$ and $Q_b$. For $Q_r$, our scaling law implies that parameter scaling and ratio scaling have a multiplicative relationship. Consequently, larger models are more amenable to a higher quantization ratio $Q_r$, thus supporting an increase in the adoption of mixed quantization for inference. Regarding $Q_b$, our findings indicate that a small block size, similar to that used in Blackwell, is not essential for large models. Employing a small $Q_b$ can instead unnecessarily complicate the design of the hardware circuit.
♻ ☆ Blackwell's Approachability with Approximation Algorithms
We revisit Blackwell's celebrated approachability problem which considers a repeated vector-valued game between a player and an adversary. Motivated by settings in which the action set of the player or adversary (or both) is difficult to optimize over, for instance when it corresponds to the set of all possible solutions to some NP-Hard optimization problem, we ask what can the player guarantee \textit{efficiently}, when only having access to these sets via approximation algorithms with ratios $\alpha_{\mX} \geq 1$ and $ 1 \geq \alpha_{\mY} > 0$, respectively. Assuming the player has monotone preferences, in the sense that he does not prefer a vector-valued loss $\ell_1$ over $\ell_2$ if $\ell_2 \leq \ell_1$, we establish that given a Blackwell instance with an approachable target set $S$, the downward closure of the appropriately-scaled set $\alpha_{\mX}\alpha_{\mY}^{-1}S$ is \textit{efficiently} approachable with optimal rate. In case only the player's or adversary's set is equipped with an approximation algorithm, we give simpler and more efficient algorithms.
comment: Accepted to the international conference on Computational Learning Theory (COLT), 2025
♻ ☆ Foundations of Large Language Models
This is a book about large language models. As indicated by the title, it primarily focuses on foundational concepts rather than comprehensive coverage of all cutting-edge technologies. The book is structured into five main chapters, each exploring a key area: pre-training, generative models, prompting, alignment, and inference. It is intended for college students, professionals, and practitioners in natural language processing and related fields, and can serve as a reference for anyone interested in large language models.
♻ ☆ Retrieval-augmented code completion for local projects using large language models
The use of large language models (LLMs) is becoming increasingly widespread among software developers. However, privacy and computational requirements are problematic with commercial solutions and the use of LLMs. In this work, we focus on using relatively small and efficient LLMs with 160M parameters that are suitable for local execution and augmentation with retrieval from local projects. We train two open transformer-based models, the generative GPT-2 and the retrieval-adapted RETRO, on open-source Python files, and empirically compare them, confirming the benefits of embedding-based retrieval. Furthermore, we improve our models' performance with In-context retrieval-augmented generation (RAG), which retrieves code snippets using the Jaccard similarity of tokens. We evaluate In-context RAG on larger models and determine that, despite its simplicity, the approach is more suitable than using the RETRO architecture. Experimental results indicate that In-context RAG improves the code completion baseline by over 26%, while RETRO improves over the similarly sized GPT-2 baseline by 12%. We highlight the key role of proper tokenization in achieving the full potential of LLMs in code completion.
comment: 30 pages, 15 figures; Accepted manuscript for Expert Systems with Applications
♻ ☆ Entropic Time Schedulers for Generative Diffusion Models
The practical performance of generative diffusion models depends on the appropriate choice of the noise scheduling function, which can also be equivalently expressed as a time reparameterization. In this paper, we present a time scheduler that selects sampling points based on entropy rather than uniform time spacing, ensuring that each point contributes an equal amount of information to the final generation. We prove that this time reparameterization does not depend on the initial choice of time. Furthermore, we provide a tractable exact formula to estimate this \emph{entropic time} for a trained model using the training loss without substantial overhead. Alongside the entropic time, inspired by the optimality results, we introduce a rescaled entropic time. In our experiments with mixtures of Gaussian distributions and ImageNet, we show that using the (rescaled) entropic times greatly improves the inference performance of trained models. In particular, we found that the image quality in pretrained EDM2 models, as evaluated by FID and FD-DINO scores, can be substantially increased by the rescaled entropic time reparameterization without increasing the number of function evaluations, with greater improvements in the few NFEs regime.
comment: 22 pages
♻ ☆ Identifying Trustworthiness Challenges in Deep Learning Models for Continental-Scale Water Quality Prediction
Water quality is foundational to environmental sustainability, ecosystem resilience, and public health. Deep learning models, particularly Long Short-Term Memory (LSTM) networks, offer transformative potential for large-scale water quality prediction and scientific insights generation. However, their widespread adoption in high-stakes decision-making, such as pollution mitigation and equitable resource allocation, is prevented by unresolved trustworthiness challenges including fairness, uncertainty, interpretability, robustness, generalizability, and reproducibility. In this work, we present the first comprehensive evaluation of trustworthiness in a continental-scale multi-task LSTM model predicting 20 water quality variables (encompassing physical/chemical processes, geochemical weathering, and nutrient cycling) across 482 U.S. basins. Our investigation uncovers systematic patterns of model performance disparities linked to basin characteristics, the inherent complexity of biogeochemical processes, and variable predictability, emphasizing critical performance fairness concerns. We further propose methodological frameworks for quantitatively evaluating critical aspects of trustworthiness, including uncertainty, interpretability, and robustness, identifying key limitations that could challenge reliable real-world deployment. This work serves as a timely call to action for advancing trustworthy data-driven methods for water resources management and provides a pathway to offering critical insights for researchers, decision-makers, and practitioners seeking to leverage artificial intelligence (AI) responsibly in environmental management.
♻ ☆ DRAGged into Conflicts: Detecting and Addressing Conflicting Sources in Search-Augmented LLMs
Retrieval Augmented Generation (RAG) is a commonly used approach for enhancing large language models (LLMs) with relevant and up-to-date information. However, the retrieved sources can often contain conflicting information and it remains unclear how models should address such discrepancies. In this work, we first propose a novel taxonomy of knowledge conflict types in RAG, along with the desired model behavior for each type. We then introduce CONFLICTS, a high-quality benchmark with expert annotations of conflict types in a realistic RAG setting. CONFLICTS is the first benchmark that enables tracking progress on how models address a wide range of knowledge conflicts. We conduct extensive experiments on this benchmark, showing that LLMs often struggle to appropriately resolve conflicts between sources. While prompting LLMs to explicitly reason about the potential conflict in the retrieved documents significantly improves the quality and appropriateness of their responses, substantial room for improvement in future research remains.
♻ ☆ DKT2: Revisiting Applicable and Comprehensive Knowledge Tracing in Large-Scale Data KDD 2025
Knowledge Tracing (KT) is a fundamental component of Intelligent Tutoring Systems (ITS), enabling the modeling of students' knowledge states to predict future performance. The introduction of Deep Knowledge Tracing (DKT), the first deep learning-based KT (DLKT) model, has brought significant advantages in terms of applicability and comprehensiveness. However, recent DLKT models, such as Attentive Knowledge Tracing (AKT), have often prioritized predictive performance at the expense of these benefits. While deep sequential models like DKT have shown potential, they face challenges related to parallel computing, storage decision modification, and limited storage capacity. To address these limitations, we propose DKT2, a novel KT model that leverages the recently developed xLSTM architecture. DKT2 enhances applicable input representation using the Rasch model and incorporates Item Response Theory (IRT) for output interpretability, allowing for the decomposition of learned knowledge into familiar and unfamiliar knowledge. By integrating this knowledge with predicted questions, DKT2 generates comprehensive knowledge states. Extensive experiments conducted across three large-scale datasets demonstrate that DKT2 consistently outperforms 18 baseline models in various prediction tasks, underscoring its potential for real-world educational applications. This work bridges the gap between theoretical advancements and practical implementation in KT. Our code and datasets are fully available at https://github.com/zyy-2001/DKT2.
comment: Accepted by ECML-PKDD 2025
♻ ☆ ProMedTS: A Self-Supervised, Prompt-Guided Multimodal Approach for Integrating Medical Text and Time Series ACL2025
Large language models (LLMs) have shown remarkable performance in vision-language tasks, but their application in the medical field remains underexplored, particularly for integrating structured time series data with unstructured clinical notes. In clinical practice, dynamic time series data, such as lab test results, capture critical temporal patterns, while clinical notes provide rich semantic context. Merging these modalities is challenging due to the inherent differences between continuous signals and discrete text. To bridge this gap, we introduce ProMedTS, a novel self-supervised multimodal framework that employs prompt-guided learning to unify these heterogeneous data types. Our approach leverages lightweight anomaly detection to generate anomaly captions that serve as prompts, guiding the encoding of raw time series data into informative prompt embeddings. These prompt embeddings are aligned with textual representations in a shared latent space, preserving fine-grained temporal nuances alongside semantic insights. Furthermore, our framework incorporates tailored self-supervised objectives to enhance both intra- and inter-modal alignment. We evaluate ProMedTS on disease diagnosis tasks using real-world datasets, and the results demonstrate that our method consistently outperforms state-of-the-art approaches.
comment: This paper is accepted by ACL2025(Findings)
♻ ☆ Improved Regret of Linear Ensemble Sampling
In this work, we close the fundamental gap of theory and practice by providing an improved regret bound for linear ensemble sampling. We prove that with an ensemble size logarithmic in $T$, linear ensemble sampling can achieve a frequentist regret bound of $\tilde{O}(d^{3/2}\sqrt{T})$, matching state-of-the-art results for randomized linear bandit algorithms, where $d$ and $T$ are the dimension of the parameter and the time horizon respectively. Our approach introduces a general regret analysis framework for linear bandit algorithms. Additionally, we reveal a significant relationship between linear ensemble sampling and Linear Perturbed-History Exploration (LinPHE), showing that LinPHE is a special case of linear ensemble sampling when the ensemble size equals $T$. This insight allows our analysis framework to derive a regret bound of $\tilde{O}(d^{3/2}\sqrt{T})$ for LinPHE, independent of the number of arms. Our techniques advance the theoretical foundation of ensemble sampling, bringing its regret bounds in line with the best known bounds for other randomized exploration algorithms.
comment: 25 pages
♻ ☆ Smart IoT Security: Lightweight Machine Learning Techniques for Multi-Class Attack Detection in IoT Networks
As the Internet of Things (IoT) expands rapidly, ensuring secure networks to defend against diverse cyber threats becomes increasingly vital. This study addresses the limitations of multi-class attack detection in IoT devices by proposing new, lightweight ensemble methods grounded in robust machine learning frameworks. Leveraging the CICIoT 2023 dataset which features 34 distinct attack types across 10 categories. We systematically evaluated a wide array of contemporary machine learning algorithms to identify the optimal choice for safeguarding IoT environments. Focusing on classifier-based approaches, our research addresses the complex and heterogeneous nature of attack vectors found in IoT ecosystems. Among the evaluated models, the Decision Tree classifier achieved the highest performance, with 99.56\% accuracy and a 99.62\% F1 score, demonstrating strong, reliable threat detection capabilities. The Random Forest algorithm followed closely, attaining 98.22\% accuracy and a 98.24\% F1 score, further highlighting the effectiveness of machine learning in handling high-dimensional data. These findings underscore the significant promise of incorporating machine learning classifiers into IoT security defenses and inspire further exploration into scalable, keystroke-based attack detection. Our approach offers a novel pathway for developing sophisticated algorithms for resource-constrained IoT devices, achieving a critical balance between accuracy and efficiency. Overall, this work advances the field of IoT security by establishing a strong baseline and framework for the development of intelligent, adaptive security measures suitable for evolving IoT landscapes.
comment: Accepted in an international conference
♻ ☆ SWAG: Long-term Surgical Workflow Prediction with Generative-based Anticipation
While existing approaches excel at recognising current surgical phases, they provide limited foresight and intraoperative guidance into future procedural steps. Similarly, current anticipation methods are constrained to predicting short-term and single events, neglecting the dense, repetitive, and long sequential nature of surgical workflows. To address these needs and limitations, we propose SWAG (Surgical Workflow Anticipative Generation), a framework that combines phase recognition and anticipation using a generative approach. This paper investigates two distinct decoding methods - single-pass (SP) and auto-regressive (AR) - to generate sequences of future surgical phases at minute intervals over long horizons. We propose a novel embedding approach using class transition probabilities to enhance the accuracy of phase anticipation. Additionally, we propose a generative framework using remaining time regression to classification (R2C). SWAG was evaluated on two publicly available datasets, Cholec80 and AutoLaparo21. Our single-pass model with class transition probability embeddings (SP*) achieves 32.1% and 41.3% F1 scores over 20 and 30 minutes on Cholec80 and AutoLaparo21, respectively. Moreover, our approach competes with existing methods on phase remaining time regression, achieving weighted mean absolute errors of 0.32 and 0.48 minutes for 2- and 3-minute horizons. SWAG demonstrates versatility across generative decoding frame works and classification and regression tasks to create temporal continuity between surgical workflow recognition and anticipation. Our method provides steps towards intraoperative surgical workflow generation for anticipation. Project: https://maxboels.com/research/swag.
comment: Accepted at IJCARS, Demo website: https://maxboels.com/research/swag
♻ ☆ Enhancing Physics-Informed Neural Networks Through Feature Engineering
Physics-Informed Neural Networks (PINNs) seek to solve partial differential equations (PDEs) with deep learning. Mainstream approaches that deploy fully-connected multi-layer deep learning architectures require prolonged training to achieve even moderate accuracy, while recent work on feature engineering allows higher accuracy and faster convergence. This paper introduces SAFE-NET, a Single-layered Adaptive Feature Engineering NETwork that achieves orders-of-magnitude lower errors with far fewer parameters than baseline feature engineering methods. SAFE-NET returns to basic ideas in machine learning, using Fourier features, a simplified single hidden layer network architecture, and an effective optimizer that improves the conditioning of the PINN optimization problem. Numerical results show that SAFE-NET converges faster and typically outperforms deeper networks and more complex architectures. It consistently uses fewer parameters -- on average, 65% fewer than the competing feature engineering methods -- while achieving comparable accuracy in less than 30% of the training epochs. Moreover, each SAFE-NET epoch is 95% faster than those of competing feature engineering approaches. These findings challenge the prevailing belief that modern PINNs effectively learn features in these scientific applications and highlight the efficiency gains possible through feature engineering.
♻ ☆ Robust Conformal Outlier Detection under Contaminated Reference Data
Conformal prediction is a flexible framework for calibrating machine learning predictions, providing distribution-free statistical guarantees. In outlier detection, this calibration relies on a reference set of labeled inlier data to control the type-I error rate. However, obtaining a perfectly labeled inlier reference set is often unrealistic, and a more practical scenario involves access to a contaminated reference set containing a small fraction of outliers. This paper analyzes the impact of such contamination on the validity of conformal methods. We prove that under realistic, non-adversarial settings, calibration on contaminated data yields conservative type-I error control, shedding light on the inherent robustness of conformal methods. This conservativeness, however, typically results in a loss of power. To alleviate this limitation, we propose a novel, active data-cleaning framework that leverages a limited labeling budget and an outlier detection model to selectively annotate data points in the contaminated reference set that are suspected as outliers. By removing only the annotated outliers in this ``suspicious'' subset, we can effectively enhance power while mitigating the risk of inflating the type-I error rate, as supported by our theoretical analysis. Experiments on real datasets validate the conservative behavior of conformal methods under contamination and show that the proposed data-cleaning strategy improves power without sacrificing validity.
♻ ☆ Incorporating Linguistic Constraints from External Knowledge Source for Audio-Visual Target Speech Extraction
Audio-visual target speaker extraction (AV-TSE) models primarily rely on target visual cues to isolate the target speaker's voice from others. We know that humans leverage linguistic knowledge, such as syntax and semantics, to support speech perception. Inspired by this, we explore the potential of pre-trained speech-language models (PSLMs) and pre-trained language models (PLMs) as auxiliary knowledge sources for AV-TSE. In this study, we propose incorporating the linguistic constraints from PSLMs or PLMs for the AV-TSE model as additional supervision signals. Without introducing any extra computational cost during inference, the proposed approach consistently improves speech quality and intelligibility. Furthermore, we evaluate our method in multi-language settings and visual cue-impaired scenarios and show robust performance gains.
comment: Accepted by Interspeech 2025
♻ ☆ ICE-Pruning: An Iterative Cost-Efficient Pruning Pipeline for Deep Neural Networks
Pruning is a widely used method for compressing Deep Neural Networks (DNNs), where less relevant parameters are removed from a DNN model to reduce its size. However, removing parameters reduces model accuracy, so pruning is typically combined with fine-tuning, and sometimes other operations such as rewinding weights, to recover accuracy. A common approach is to repeatedly prune and then fine-tune, with increasing amounts of model parameters being removed in each step. While straightforward to implement, pruning pipelines that follow this approach are computationally expensive due to the need for repeated fine-tuning. In this paper we propose ICE-Pruning, an iterative pruning pipeline for DNNs that significantly decreases the time required for pruning by reducing the overall cost of fine-tuning, while maintaining a similar accuracy to existing pruning pipelines. ICE-Pruning is based on three main components: i) an automatic mechanism to determine after which pruning steps fine-tuning should be performed; ii) a freezing strategy for faster fine-tuning in each pruning step; and iii) a custom pruning-aware learning rate scheduler to further improve the accuracy of each pruning step and reduce the overall time consumption. We also propose an efficient auto-tuning stage for the hyperparameters (e.g., freezing percentage) introduced by the three components. We evaluate ICE-Pruning on several DNN models and datasets, showing that it can accelerate pruning by up to 9.61x. Code is available at https://github.com/gicLAB/ICE-Pruning
comment: Accepted to International Joint Conference on Neural Networks (IJCNN) 2025
♻ ☆ Activation by Interval-wise Dropout: A Simple Way to Prevent Neural Networks from Plasticity Loss ICML 2025
Plasticity loss, a critical challenge in neural network training, limits a model's ability to adapt to new tasks or shifts in data distribution. This paper introduces AID (Activation by Interval-wise Dropout), a novel method inspired by Dropout, designed to address plasticity loss. Unlike Dropout, AID generates subnetworks by applying Dropout with different probabilities on each preactivation interval. Theoretical analysis reveals that AID regularizes the network, promoting behavior analogous to that of deep linear networks, which do not suffer from plasticity loss. We validate the effectiveness of AID in maintaining plasticity across various benchmarks, including continual learning tasks on standard image classification datasets such as CIFAR10, CIFAR100, and TinyImageNet. Furthermore, we show that AID enhances reinforcement learning performance in the Arcade Learning Environment benchmark.
comment: Accepted to ICML 2025 (poster)
♻ ☆ FATE: Focal-modulated Attention Encoder for Multivariate Time-series Forecasting
Climate change stands as one of the most pressing global challenges of the twenty-first century, with far-reaching consequences such as rising sea levels, melting glaciers, and increasingly extreme weather patterns. Accurate forecasting is critical for monitoring these phenomena and supporting mitigation strategies. While recent data-driven models for time-series forecasting, including CNNs, RNNs, and attention-based transformers, have shown promise, they often struggle with sequential dependencies and limited parallelization, especially in long-horizon, multivariate meteorological datasets. In this work, we present Focal Modulated Attention Encoder (FATE), a novel transformer architecture designed for reliable multivariate time-series forecasting. Unlike conventional models, FATE introduces a tensorized focal modulation mechanism that explicitly captures spatiotemporal correlations in time-series data. We further propose two modulation scores that offer interpretability by highlighting critical environmental features influencing predictions. We benchmark FATE across seven diverse real-world datasets including ETTh1, ETTm2, Traffic, Weather5k, USA-Canada, Europe, and LargeST datasets, and show that it consistently outperforms all state-of-the-art methods, including temperature datasets. Our ablation studies also demonstrate that FATE generalizes well to broader multivariate time-series forecasting tasks. For reproducible research, code is released at https://github.com/Tajamul21/FATE.
♻ ☆ PARD: Accelerating LLM Inference with Low-Cost PARallel Draft Model Adaptation
The autoregressive nature of large language models (LLMs) limits inference speed. Each forward pass generates only a single token and is often bottlenecked by memory bandwidth. Speculative decoding alleviates this issue using a draft-then-verify approach to accelerate token generation. However, the overhead introduced during the draft phase and the training cost of the draft model limit the efficiency and adaptability of speculative decoding. In this work, we introduce PARallel Draft (PARD), a novel speculative decoding method that enables low-cost adaptation of autoregressive draft models into parallel draft models. PARD enhances inference efficiency by predicting multiple future tokens in a single forward pass of the draft phase, and incorporates a conditional drop token method to accelerate training. Its target-independence property allows a single draft model to be applied to an entire family of different models, minimizing the adaptation cost. Our proposed conditional drop token method can improves draft model training efficiency by 3x. On our optimized inference framework, PARD accelerates LLaMA3.1-8B inference by 4.08x, achieving 311.5 tokens per second.
comment: 15 pages, 6 figures
Genomics 2
☆ Improving spliced alignment by modeling splice sites with deep learning
Motivation: Spliced alignment refers to the alignment of messenger RNA (mRNA) or protein sequences to eukaryotic genomes. It plays a critical role in gene annotation and the study of gene functions. Accurate spliced alignment demands sophisticated modeling of splice sites, but current aligners use simple models, which may affect their accuracy given dissimilar sequences. Results: We implemented minisplice to learn splice signals with a one-dimensional convolutional neural network (1D-CNN) and trained a model with 7,026 parameters for vertebrate and insect genomes. It captures conserved splice signals across phyla and reveals GC-rich introns specific to mammals and birds. We used this model to estimate the empirical splicing probability for every GT and AG in genomes, and modified minimap2 and miniprot to leverage pre-computed splicing probability during alignment. Evaluation on human long-read RNA-seq data and cross-species protein datasets showed our method greatly improves the junction accuracy especially for noisy long RNA-seq reads and proteins of distant homology. Availability and implementation: https://github.com/lh3/minisplice
♻ ☆ Life-Code: Central Dogma Modeling with Multi-Omics Sequence Unification
The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these macromolecules individually, their interconnected nature remains underexplored. This paper follows the guidance of the central dogma to redesign both the data and model pipeline and offers a comprehensive framework, Life-Code, that spans different biological functions. As for data flow, we propose a unified pipeline to integrate multi-omics data by reverse-transcribing RNA and reverse-translating amino acids into nucleotide-based sequences. As for the model, we design a codon tokenizer and a hybrid long-sequence architecture to encode the interactions between coding and non-coding regions through masked modeling pre-training. To model the translation and folding process with coding sequences, Life-Code learns protein structures of the corresponding amino acids by knowledge distillation from off-the-shelf protein language models. Such designs enable Life-Code to capture complex interactions within genetic sequences, providing a more comprehensive understanding of multi-omics with the central dogma. Extensive experiments show that Life-Code achieves state-of-the-art results on various tasks across three omics, highlighting its potential for advancing multi-omics analysis and interpretation.
comment: Preprint V2 (14 pages main text)
Quantitative Methods 2
☆ Evaluating Cell Type Inference in Vision Language Models Under Varying Visual Context
Vision-Language Models (VLMs) have rapidly advanced alongside Large Language Models (LLMs). This study evaluates the capabilities of prominent generative VLMs, such as GPT-4.1 and Gemini 2.5 Pro, accessed via APIs, for histopathology image classification tasks, including cell typing. Using diverse datasets from public and private sources, we apply zero-shot and one-shot prompting methods to assess VLM performance, comparing them against custom-trained Convolutional Neural Networks (CNNs). Our findings demonstrate that while one-shot prompting significantly improves VLM performance over zero-shot ($p \approx 1.005 \times 10^{-5}$ based on Kappa scores), these general-purpose VLMs currently underperform supervised CNNs on most tasks. This work underscores both the promise and limitations of applying current VLMs to specialized domains like pathology via in-context learning. All code and instructions for reproducing the study can be accessed from the repository https://www.github.com/a12dongithub/VLMCCE.
♻ ☆ Predicting Novel Functional Roles of Designed Small Biomolecules: An ML Approach Utilizing PubChem Compound and Substance Identifiers (CID-SID ML model)
Significance and Object: The proposed methodology aims to provide time- and cost-effective approach for the early stage in drug discovery. The machine learning models developed in this study used only the identification numbers provided by PubChem. Thus, a drug development researcher who has obtained a PubChem CID and SID can easily identify new functionality of their compound. The approach was demonstrated, using four bioassay which were on (i) the antagonists of human D3 dopamine receptors; (ii) the promoter Rab9 activators; (iii) small molecule inhibitors of CHOP to regulate the unfolded protein response to ER stress; (iv) antagonists of the human M1 muscarinic receptor. Solution: The four bioassays used for demonstration of the approach were provided by PubChem. For each bioassay, the generated by PubChem CIDs, SIDs were extracted together with the corresponding activity. The resulting dataset was sifted with the dataset on a water solubility bioassay, remaining only the compounds common for both bioassays. In this way, the inactive compounds were reduced. Then, all active compounds were added, and the resulted dataset was later used for machine learning based on scikit learn algorithms. Results: The average values of the ML models` metrics for the four bioassays were: 83.82% Accuracy with 5.35 standard deviation; 87.9% Precision with 5.04 standard deviation; 77.1% Recall with 7.65 standard deviation; 82.1% F1 with 6.44 standard deviation; 83.4% ROC with 5.09 standard deviation. Since the methodology was publicly available as a preprint, four more machine ML models have been developed. Their results are discussed in the "Results and Discussion" section.
comment: 30 pages, 26 figures, 20 tables
Quantitative Methods 5
☆ Maximal Speed of Glucose Change Significantly Distinguishes Prediabetes from Diabetes
Rapid changes in blood glucose levels can have severe and immediate health consequences, leading to the need to develop indices for assessing these rapid changes based on continuous glucose monitoring (CGM) data. We proposed a CGM index, maxSpeed, that represents the maximum of speed of glucose change (SGC) in a subject, respectively, and conducted a clinical study to investigate this index along with SGC mean (meanSpeed) and SGC standard deviation (sdSpeed), coefficient of variation (CV), standard deviation (SD), glycemic variability percentage (GVP), mean amplitude of glycemic excursions (MAG), mean absolute glucose excursion (MAGE), mean of daily differences (MODD) and continuous overlapping net glycemic action (CONGA). Our study revealed that, there exist multiple patterns in distinguishing non-diabetes, prediabetes, type 1 diabetes (T1D) and type 2 diabetes (T2D). First, maxSpeed significantly distinguishes between either of non-diabetes and prediabetes and either of T1D and T2D. Second, meanSpeed, sdSpeed, GVP and MAG significantly distinguish between non-diabetes and either of T1D and T2D. Third, MODD and CONGA of 24 hours significantly distinguish between non-diabetes and either of T1D and T2D, between T1D and either of prediabetes and T2D. Fourth, SD, MAGE and CONGA of 12 hours significantly distinguish between non-diabetes and either of T1D and T2D, between T1D and pre-diabetes. Fifth, CV significantly distinguishes between T1D and either of Non-diabetes and T2D. maxSpeed assesses the rapid change of glucose in a short term, which is important both biologically and clinicially because our human body may not tolerate too rapid change in a short term.
☆ Interpretable Causal Representation Learning for Biological Data in the Pathway Space ICLR 2025
Predicting the impact of genomic and drug perturbations in cellular function is crucial for understanding gene functions and drug effects, ultimately leading to improved therapies. To this end, Causal Representation Learning (CRL) constitutes one of the most promising approaches, as it aims to identify the latent factors that causally govern biological systems, thus facilitating the prediction of the effect of unseen perturbations. Yet, current CRL methods fail in reconciling their principled latent representations with known biological processes, leading to models that are not interpretable. To address this major issue, we present SENA-discrepancy-VAE, a model based on the recently proposed CRL method discrepancy-VAE, that produces representations where each latent factor can be interpreted as the (linear) combination of the activity of a (learned) set of biological processes. To this extent, we present an encoder, SENA-{\delta}, that efficiently compute and map biological processes' activity levels to the latent causal factors. We show that SENA-discrepancy-VAE achieves predictive performances on unseen combinations of interventions that are comparable with its original, non-interpretable counterpart, while inferring causal latent factors that are biologically meaningful.
comment: ICLR 2025, 28 pages, 14 figures, 10 tables
☆ DeepSeq: High-Throughput Single-Cell RNA Sequencing Data Labeling via Web Search-Augmented Agentic Generative AI Foundation Models ICML 2025
Generative AI foundation models offer transformative potential for processing structured biological data, particularly in single-cell RNA sequencing, where datasets are rapidly scaling toward billions of cells. We propose the use of agentic foundation models with real-time web search to automate the labeling of experimental data, achieving up to 82.5% accuracy. This addresses a key bottleneck in supervised learning for structured omics data by increasing annotation throughput without manual curation and human error. Our approach enables the development of virtual cell foundation models capable of downstream tasks such as cell-typing and perturbation prediction. As data volume grows, these models may surpass human performance in labeling, paving the way for reliable inference in large-scale perturbation screens. This application demonstrates domain-specific innovation in health monitoring and diagnostics, aligned with efforts like the Human Cell Atlas and Human Tumor Atlas Network.
comment: 4 pages, 5 figures, Accepted by ICML 2025 FM4LS https://openreview.net/forum?id=zNjXOZxEYB . Workshop on Multi-modal Foundation Models and Large Language Models for Life Sciences (FM4LS)}, July 2025
♻ ☆ Hodge-Decomposition of Brain Networks
We propose to analyze dynamically changing brain networks by decomposing them into three orthogonal components through the Hodge decomposition. We propose to quantify the magnitude and relative strength of each component. We performed extensive simulation studies with known ground truth. The Hodge decomposition is then applied to the dynamically changing human brain networks obtained from a resting-state functional magnetic resonance imaging study. Our results indicate that the components of the Hodge decomposition contain biologically interpretable topological features that provide statistically significant findings not easily captured by traditional methods.
♻ ☆ Interpretable Multimodal Learning for Tumor Protein-Metal Binding: Progress, Challenges, and Perspectives
In cancer therapeutics, protein-metal binding mechanisms critically govern the pharmacokinetics and targeting efficacy of drugs, thereby fundamentally shaping the rational design of anticancer metallodrugs. While conventional laboratory methods used to study such mechanisms are often costly, low throughput, and limited in capturing dynamic biological processes, machine learning (ML) has emerged as a promising alternative. Despite increasing efforts to develop protein-metal binding datasets and ML algorithms, the application of ML in tumor protein-metal binding remains limited. Key challenges include a shortage of high-quality, tumor-specific datasets, insufficient consideration of multiple data modalities, and the complexity of interpreting results due to the ''black box'' nature of complex ML models. This paper summarizes recent progress and ongoing challenges in using ML to predict tumor protein-metal binding, focusing on data, modeling, and interpretability. We present multimodal protein-metal binding datasets and outline strategies for acquiring, curating, and preprocessing them for training ML models. Moreover, we explore the complementary value provided by different data modalities and examine methods for their integration. We also review approaches for improving model interpretability to support more trustworthy decisions in cancer research. Finally, we offer our perspective on research opportunities and propose strategies to address the scarcity of tumor protein data and the limited number of predictive models for tumor protein-metal binding. We also highlight two promising directions for effective metal-based drug design: integrating protein-protein interaction data to provide structural insights into metal-binding events and predicting structural changes in tumor proteins after metal binding.
Genomics 1
☆ DeepSeq: High-Throughput Single-Cell RNA Sequencing Data Labeling via Web Search-Augmented Agentic Generative AI Foundation Models ICML 2025
Generative AI foundation models offer transformative potential for processing structured biological data, particularly in single-cell RNA sequencing, where datasets are rapidly scaling toward billions of cells. We propose the use of agentic foundation models with real-time web search to automate the labeling of experimental data, achieving up to 82.5% accuracy. This addresses a key bottleneck in supervised learning for structured omics data by increasing annotation throughput without manual curation and human error. Our approach enables the development of virtual cell foundation models capable of downstream tasks such as cell-typing and perturbation prediction. As data volume grows, these models may surpass human performance in labeling, paving the way for reliable inference in large-scale perturbation screens. This application demonstrates domain-specific innovation in health monitoring and diagnostics, aligned with efforts like the Human Cell Atlas and Human Tumor Atlas Network.
comment: 4 pages, 5 figures, Accepted by ICML 2025 FM4LS https://openreview.net/forum?id=zNjXOZxEYB . Workshop on Multi-modal Foundation Models and Large Language Models for Life Sciences (FM4LS)}, July 2025
Computation and Language 100
☆ code_transformed: The Influence of Large Language Models on Code
Coding remains one of the most fundamental modes of interaction between humans and machines. With the rapid advancement of Large Language Models (LLMs), code generation capabilities have begun to significantly reshape programming practices. This development prompts a central question: Have LLMs transformed code style, and how can such transformation be characterized? In this paper, we present a pioneering study that investigates the impact of LLMs on code style, with a focus on naming conventions, complexity, maintainability, and similarity. By analyzing code from over 19,000 GitHub repositories linked to arXiv papers published between 2020 and 2025, we identify measurable trends in the evolution of coding style that align with characteristics of LLM-generated code. For instance, the proportion of snake\_case variable names in Python code increased from 47% in Q1 2023 to 51% in Q1 2025. Furthermore, we investigate how LLMs approach algorithmic problems by examining their reasoning processes. Given the diversity of LLMs and usage scenarios, among other factors, it is difficult or even impossible to precisely estimate the proportion of code generated or assisted by LLMs. Our experimental results provide the first large-scale empirical evidence that LLMs affect real-world programming style.
comment: We release all the experimental dataset and source code at: https://github.com/ignorancex/LLM_code
☆ Generative Representational Learning of Foundation Models for Recommendation
Developing a single foundation model with the capability to excel across diverse tasks has been a long-standing objective in the field of artificial intelligence. As the wave of general-purpose foundation models sweeps across various domains, their influence has significantly extended to the field of recommendation systems. While recent efforts have explored recommendation foundation models for various generative tasks, they often overlook crucial embedding tasks and struggle with the complexities of multi-task learning, including knowledge sharing & conflict resolution, and convergence speed inconsistencies. To address these limitations, we introduce RecFound, a generative representational learning framework for recommendation foundation models. We construct the first comprehensive dataset for recommendation foundation models covering both generative and embedding tasks across diverse scenarios. Based on this dataset, we propose a novel multi-task training scheme featuring a Task-wise Mixture of Low-rank Experts (TMoLE) to handle knowledge sharing & conflict, a Step-wise Convergence-oriented Sample Scheduler (S2Sched) to address inconsistent convergence, and a Model Merge module to balance the performance across tasks. Experiments demonstrate that RecFound achieves state-of-the-art performance across various recommendation tasks, outperforming existing baselines.
comment: Project page is available at https://junkfood436.github.io/RecFound/
☆ VGR: Visual Grounded Reasoning
In the field of multimodal chain-of-thought (CoT) reasoning, existing approaches predominantly rely on reasoning on pure language space, which inherently suffers from language bias and is largely confined to math or science domains. This narrow focus limits their ability to handle complex visual reasoning tasks that demand comprehensive understanding of image details. To address these limitations, this paper introduces VGR, a novel reasoning multimodal large language model (MLLM) with enhanced fine-grained visual perception capabilities. Unlike traditional MLLMs that answer the question or reasoning solely on the language space, our VGR first detects relevant regions that may help to solve problems, and then provides precise answers based on replayed image regions. To achieve this, we conduct a large-scale SFT dataset called VGR -SFT that contains reasoning data with mixed vision grounding and language deduction. The inference pipeline of VGR allows the model to choose bounding boxes for visual reference and a replay stage is introduced to integrates the corresponding regions into the reasoning process, enhancing multimodel comprehension. Experiments on the LLaVA-NeXT-7B baseline show that VGR achieves superior performance on multi-modal benchmarks requiring comprehensive image detail understanding. Compared to the baseline, VGR uses only 30\% of the image token count while delivering scores of +4.1 on MMStar, +7.1 on AI2D, and a +12.9 improvement on ChartQA.
comment: 9 pages, 4 figures
☆ Schema-R1: A reasoning training approach for schema linking in Text-to-SQL Task
Schema linking is a critical step in Text-to-SQL task, aiming to accurately predict the table names and column names required for the SQL query based on the given question. However, current fine-tuning approaches for schema linking models employ a rote-learning paradigm, excessively optimizing for ground truth schema linking outcomes while compromising reasoning ability. This limitation arises because of the difficulty in acquiring a high-quality reasoning sample for downstream tasks. To address this, we propose Schema-R1, a reasoning schema linking model trained using reinforcement learning. Specifically, Schema-R1 consists of three key steps: constructing small batches of high-quality reasoning samples, supervised fine-tuning for cold-start initialization, and rule-based reinforcement learning training. The final results demonstrate that our method effectively enhances the reasoning ability of the schema linking model, achieving a 10\% improvement in filter accuracy compared to the existing method. Our code is available at https://github.com/hongWin/Schema-R1/.
comment: 11 pages, 3 figures, conference
☆ Improving Large Language Model Safety with Contrastive Representation Learning
Large Language Models (LLMs) are powerful tools with profound societal impacts, yet their ability to generate responses to diverse and uncontrolled inputs leaves them vulnerable to adversarial attacks. While existing defenses often struggle to generalize across varying attack types, recent advancements in representation engineering offer promising alternatives. In this work, we propose a defense framework that formulates model defense as a contrastive representation learning (CRL) problem. Our method finetunes a model using a triplet-based loss combined with adversarial hard negative mining to encourage separation between benign and harmful representations. Our experimental results across multiple models demonstrate that our approach outperforms prior representation engineering-based defenses, improving robustness against both input-level and embedding-space attacks without compromising standard performance. Our code is available at https://github.com/samuelsimko/crl-llm-defense
☆ Feedback Friction: LLMs Struggle to Fully Incorporate External Feedback
Recent studies have shown LLMs possess some ability to improve their responses when given external feedback. However, it remains unclear how effectively and thoroughly these models can incorporate extrinsic feedback. In an ideal scenario, if LLMs receive near-perfect and complete feedback, we would expect them to fully integrate the feedback and change their incorrect answers to correct ones. In this paper, we systematically investigate LLMs' ability to incorporate feedback by designing a controlled experimental environment. For each problem, a solver model attempts a solution, then a feedback generator with access to near-complete ground-truth answers produces targeted feedback, after which the solver tries again. We evaluate this pipeline across a diverse range of tasks, including math reasoning, knowledge reasoning, scientific reasoning, and general multi-domain evaluations with state-of-the-art language models including Claude 3.7 (with and without extended thinking). Surprisingly, even under these near-ideal conditions, solver models consistently show resistance to feedback, a limitation that we term FEEDBACK FRICTION. To mitigate this limitation, we experiment with sampling-based strategies like progressive temperature increases and explicit rejection of previously attempted incorrect answers, which yield improvements but still fail to help models achieve target performance. We also perform a rigorous exploration of potential causes of FEEDBACK FRICTION, ruling out factors such as model overconfidence and data familiarity. We hope that highlighting this issue in LLMs and ruling out several apparent causes will help future research in self-improvement.
☆ LiveCodeBench Pro: How Do Olympiad Medalists Judge LLMs in Competitive Programming?
Recent reports claim that large language models (LLMs) now outperform elite humans in competitive programming. Drawing on knowledge from a group of medalists in international algorithmic contests, we revisit this claim, examining how LLMs differ from human experts and where limitations still remain. We introduce LiveCodeBench Pro, a benchmark composed of problems from Codeforces, ICPC, and IOI that are continuously updated to reduce the likelihood of data contamination. A team of Olympiad medalists annotates every problem for algorithmic categories and conducts a line-by-line analysis of failed model-generated submissions. Using this new data and benchmark, we find that frontier models still have significant limitations: without external tools, the best model achieves only 53% pass@1 on medium-difficulty problems and 0% on hard problems, domains where expert humans still excel. We also find that LLMs succeed at implementation-heavy problems but struggle with nuanced algorithmic reasoning and complex case analysis, often generating confidently incorrect justifications. High performance appears largely driven by implementation precision and tool augmentation, not superior reasoning. LiveCodeBench Pro thus highlights the significant gap to human grandmaster levels, while offering fine-grained diagnostics to steer future improvements in code-centric LLM reasoning.
comment: Project Page at https://livecodebenchpro.com/
☆ Effectiveness of Counter-Speech against Abusive Content: A Multidimensional Annotation and Classification Study
Counter-speech (CS) is a key strategy for mitigating online Hate Speech (HS), yet defining the criteria to assess its effectiveness remains an open challenge. We propose a novel computational framework for CS effectiveness classification, grounded in social science concepts. Our framework defines six core dimensions - Clarity, Evidence, Emotional Appeal, Rebuttal, Audience Adaptation, and Fairness - which we use to annotate 4,214 CS instances from two benchmark datasets, resulting in a novel linguistic resource released to the community. In addition, we propose two classification strategies, multi-task and dependency-based, achieving strong results (0.94 and 0.96 average F1 respectively on both expert- and user-written CS), outperforming standard baselines, and revealing strong interdependence among dimensions.
☆ GeistBERT: Breathing Life into German NLP
Advances in transformer-based language models have highlighted the benefits of language-specific pre-training on high-quality corpora. In this context, German NLP stands to gain from updated architectures and modern datasets tailored to the linguistic characteristics of the German language. GeistBERT seeks to improve German language processing by incrementally training on a diverse corpus and optimizing model performance across various NLP tasks. It was pre-trained using fairseq with standard hyperparameters, initialized from GottBERT weights, and trained on a large-scale German corpus using Whole Word Masking (WWM). Based on the pre-trained model, we derived extended-input variants using Nystr\"omformer and Longformer architectures with support for sequences up to 8k tokens. While these long-context models were not evaluated on dedicated long-context benchmarks, they are included in our release. We assessed all models on NER (CoNLL 2003, GermEval 2014) and text classification (GermEval 2018 fine/coarse, 10kGNAD) using $F_1$ score and accuracy. The GeistBERT models achieved strong performance, leading all tasks among the base models and setting a new state-of-the-art (SOTA). Notably, the base models outperformed larger models in several tasks. To support the German NLP research community, we are releasing GeistBERT under the MIT license.
☆ TreeRL: LLM Reinforcement Learning with On-Policy Tree Search ACL 2025
Reinforcement learning (RL) with tree search has demonstrated superior performance in traditional reasoning tasks. Compared to conventional independent chain sampling strategies with outcome supervision, tree search enables better exploration of the reasoning space and provides dense, on-policy process rewards during RL training but remains under-explored in On-Policy LLM RL. We propose TreeRL, a reinforcement learning framework that directly incorporates on-policy tree search for RL training. Our approach includes intermediate supervision and eliminates the need for a separate reward model training. Existing approaches typically train a separate process reward model, which can suffer from distribution mismatch and reward hacking. We also introduce a cost-effective tree search approach that achieves higher search efficiency under the same generation token budget by strategically branching from high-uncertainty intermediate steps rather than using random branching. Experiments on challenging math and code reasoning benchmarks demonstrate that TreeRL achieves superior performance compared to traditional ChainRL, highlighting the potential of tree search for LLM. TreeRL is open-sourced at https://github.com/THUDM/TreeRL.
comment: Accepted to ACL 2025 main conference
☆ Towards a Cascaded LLM Framework for Cost-effective Human-AI Decision-Making
Effective human-AI decision-making balances three key factors: the \textit{correctness} of predictions, the \textit{cost} of knowledge and reasoning complexity, and the confidence about whether to \textit{abstain} automated answers or involve human experts. In this work, we present a cascaded LLM decision framework that adaptively delegates tasks across multiple tiers of expertise -- a base model for initial candidate answers, a more capable and knowledgeable (but costlier) large model, and a human expert for when the model cascade abstains. Our method proceeds in two stages. First, a deferral policy determines whether to accept the base model's answer or regenerate it with the large model based on the confidence score. Second, an abstention policy decides whether the cascade model response is sufficiently certain or requires human intervention. Moreover, we incorporate an online learning mechanism in the framework that can leverage human feedback to improve decision quality over time. We demonstrate this approach to general question-answering (ARC-Easy and ARC-Challenge) and medical question-answering (MedQA and MedMCQA). Our results show that our cascaded strategy outperforms in most cases single-model baselines in accuracy while reducing cost and providing a principled way to handle abstentions.
☆ Beyond Homogeneous Attention: Memory-Efficient LLMs via Fourier-Approximated KV Cache
Large Language Models struggle with memory demands from the growing Key-Value (KV) cache as context lengths increase. Existing compression methods homogenize head dimensions or rely on attention-guided token pruning, often sacrificing accuracy or introducing computational overhead. We propose FourierAttention, a training-free framework that exploits the heterogeneous roles of transformer head dimensions: lower dimensions prioritize local context, while upper ones capture long-range dependencies. By projecting the long-context-insensitive dimensions onto orthogonal Fourier bases, FourierAttention approximates their temporal evolution with fixed-length spectral coefficients. Evaluations on LLaMA models show that FourierAttention achieves the best long-context accuracy on LongBench and Needle-In-A-Haystack (NIAH). Besides, a custom Triton kernel, FlashFourierAttention, is designed to optimize memory via streamlined read-write operations, enabling efficient deployment without performance compromise.
comment: 10 pages, 7 figures, work in progress
☆ Addressing Bias in LLMs: Strategies and Application to Fair AI-based Recruitment
The use of language technologies in high-stake settings is increasing in recent years, mostly motivated by the success of Large Language Models (LLMs). However, despite the great performance of LLMs, they are are susceptible to ethical concerns, such as demographic biases, accountability, or privacy. This work seeks to analyze the capacity of Transformers-based systems to learn demographic biases present in the data, using a case study on AI-based automated recruitment. We propose a privacy-enhancing framework to reduce gender information from the learning pipeline as a way to mitigate biased behaviors in the final tools. Our experiments analyze the influence of data biases on systems built on two different LLMs, and how the proposed framework effectively prevents trained systems from reproducing the bias in the data.
comment: Submitted to AIES 2025 (Under Review)
☆ Post Persona Alignment for Multi-Session Dialogue Generation
Multi-session persona-based dialogue generation presents challenges in maintaining long-term consistency and generating diverse, personalized responses. While large language models (LLMs) excel in single-session dialogues, they struggle to preserve persona fidelity and conversational coherence across extended interactions. Existing methods typically retrieve persona information before response generation, which can constrain diversity and result in generic outputs. We propose Post Persona Alignment (PPA), a novel two-stage framework that reverses this process. PPA first generates a general response based solely on dialogue context, then retrieves relevant persona memories using the response as a query, and finally refines the response to align with the speaker's persona. This post-hoc alignment strategy promotes naturalness and diversity while preserving consistency and personalization. Experiments on multi-session LLM-generated dialogue data demonstrate that PPA significantly outperforms prior approaches in consistency, diversity, and persona relevance, offering a more flexible and effective paradigm for long-term personalized dialogue generation.
☆ Rethinking Multilingual Vision-Language Translation: Dataset, Evaluation, and Adaptation
Vision-Language Translation (VLT) is a challenging task that requires accurately recognizing multilingual text embedded in images and translating it into the target language with the support of visual context. While recent Large Vision-Language Models (LVLMs) have demonstrated strong multilingual and visual understanding capabilities, there is a lack of systematic evaluation and understanding of their performance on VLT. In this work, we present a comprehensive study of VLT from three key perspectives: data quality, model architecture, and evaluation metrics. (1) We identify critical limitations in existing datasets, particularly in semantic and cultural fidelity, and introduce AibTrans -- a multilingual, parallel, human-verified dataset with OCR-corrected annotations. (2) We benchmark 11 commercial LVLMs/LLMs and 6 state-of-the-art open-source models across end-to-end and cascaded architectures, revealing their OCR dependency and contrasting generation versus reasoning behaviors. (3) We propose Density-Aware Evaluation to address metric reliability issues under varying contextual complexity, introducing the DA Score as a more robust measure of translation quality. Building upon these findings, we establish a new evaluation benchmark for VLT. Notably, we observe that fine-tuning LVLMs on high-resource language pairs degrades cross-lingual performance, and we propose a balanced multilingual fine-tuning strategy that effectively adapts LVLMs to VLT without sacrificing their generalization ability.
☆ On the Performance of LLMs for Real Estate Appraisal KDD 2025
The real estate market is vital to global economies but suffers from significant information asymmetry. This study examines how Large Language Models (LLMs) can democratize access to real estate insights by generating competitive and interpretable house price estimates through optimized In-Context Learning (ICL) strategies. We systematically evaluate leading LLMs on diverse international housing datasets, comparing zero-shot, few-shot, market report-enhanced, and hybrid prompting techniques. Our results show that LLMs effectively leverage hedonic variables, such as property size and amenities, to produce meaningful estimates. While traditional machine learning models remain strong for pure predictive accuracy, LLMs offer a more accessible, interactive and interpretable alternative. Although self-explanations require cautious interpretation, we find that LLMs explain their predictions in agreement with state-of-the-art models, confirming their trustworthiness. Carefully selected in-context examples based on feature similarity and geographic proximity, significantly enhance LLM performance, yet LLMs struggle with overconfidence in price intervals and limited spatial reasoning. We offer practical guidance for structured prediction tasks through prompt optimization. Our findings highlight LLMs' potential to improve transparency in real estate appraisal and provide actionable insights for stakeholders.
comment: Accepted at ECML-PKDD 2025
☆ Are Multimodal Large Language Models Pragmatically Competent Listeners in Simple Reference Resolution Tasks? ACL
We investigate the linguistic abilities of multimodal large language models in reference resolution tasks featuring simple yet abstract visual stimuli, such as color patches and color grids. Although the task may not seem challenging for today's language models, being straightforward for human dyads, we consider it to be a highly relevant probe of the pragmatic capabilities of MLLMs. Our results and analyses indeed suggest that basic pragmatic capabilities, such as context-dependent interpretation of color descriptions, still constitute major challenges for state-of-the-art MLLMs.
comment: To appear in ACL Findings 2025
☆ Persona-driven Simulation of Voting Behavior in the European Parliament with Large Language Models
Large Language Models (LLMs) display remarkable capabilities to understand or even produce political discourse, but have been found to consistently display a progressive left-leaning bias. At the same time, so-called persona or identity prompts have been shown to produce LLM behavior that aligns with socioeconomic groups that the base model is not aligned with. In this work, we analyze whether zero-shot persona prompting with limited information can accurately predict individual voting decisions and, by aggregation, accurately predict positions of European groups on a diverse set of policies. We evaluate if predictions are stable towards counterfactual arguments, different persona prompts and generation methods. Finally, we find that we can simulate voting behavior of Members of the European Parliament reasonably well with a weighted F1 score of approximately 0.793. Our persona dataset of politicians in the 2024 European Parliament and our code are available at https://github.com/dess-mannheim/european_parliament_simulation.
☆ Long-Short Alignment for Effective Long-Context Modeling in LLMs ICML 2025
Large language models (LLMs) have exhibited impressive performance and surprising emergent properties. However, their effectiveness remains limited by the fixed context window of the transformer architecture, posing challenges for long-context modeling. Among these challenges, length generalization -- the ability to generalize to sequences longer than those seen during training -- is a classical and fundamental problem. In this work, we propose a fresh perspective on length generalization, shifting the focus from the conventional emphasis on input features such as positional encodings or data structures to the output distribution of the model. Specifically, through case studies on synthetic tasks, we highlight the critical role of \textbf{long-short alignment} -- the consistency of output distributions across sequences of varying lengths. Extending this insight to natural language tasks, we propose a metric called Long-Short Misalignment to quantify this phenomenon, uncovering a strong correlation between the metric and length generalization performance. Building on these findings, we develop a regularization term that promotes long-short alignment during training. Extensive experiments validate the effectiveness of our approach, offering new insights for achieving more effective long-context modeling in LLMs. Code is available at https://github.com/PKU-ML/LongShortAlignment.
comment: ICML 2025
☆ DeepResearch Bench: A Comprehensive Benchmark for Deep Research Agents
Deep Research Agents are a prominent category of LLM-based agents. By autonomously orchestrating multistep web exploration, targeted retrieval, and higher-order synthesis, they transform vast amounts of online information into analyst-grade, citation-rich reports--compressing hours of manual desk research into minutes. However, a comprehensive benchmark for systematically evaluating the capabilities of these agents remains absent. To bridge this gap, we present DeepResearch Bench, a benchmark consisting of 100 PhD-level research tasks, each meticulously crafted by domain experts across 22 distinct fields. Evaluating DRAs is inherently complex and labor-intensive. We therefore propose two novel methodologies that achieve strong alignment with human judgment. The first is a reference-based method with adaptive criteria to assess the quality of generated research reports. The other framework is introduced to evaluate DRA's information retrieval and collection capabilities by assessing its effective citation count and overall citation accuracy. We have open-sourced DeepResearch Bench and key components of these frameworks at https://github.com/Ayanami0730/deep_research_bench to accelerate the development of practical LLM-based agents.
comment: 31 pages, 5 figures
☆ DART: Distilling Autoregressive Reasoning to Silent Thought
Chain-of-Thought (CoT) reasoning has significantly advanced Large Language Models (LLMs) in solving complex tasks. However, its autoregressive paradigm leads to significant computational overhead, hindering its deployment in latency-sensitive applications. To address this, we propose \textbf{DART} (\textbf{D}istilling \textbf{A}utoregressive \textbf{R}easoning to Silent \textbf{T}hought), a self-distillation framework that enables LLMs to replace autoregressive CoT with non-autoregressive Silent Thought (ST). Specifically, DART introduces two training pathways: the CoT pathway for traditional reasoning and the ST pathway for generating answers directly from a few ST tokens. The ST pathway utilizes a lightweight Reasoning Evolvement Module (REM) to align its hidden states with the CoT pathway, enabling the ST tokens to evolve into informative embeddings. During inference, only the ST pathway is activated, leveraging evolving ST tokens to deliver the answer directly. Extensive experimental results demonstrate that DART achieves comparable reasoning performance to existing baselines while offering significant efficiency gains, serving as a feasible alternative for efficient reasoning.
☆ Quizzard@INOVA Challenge 2025 -- Track A: Plug-and-Play Technique in Interleaved Multi-Image Model
This paper addresses two main objectives. Firstly, we demonstrate the impressive performance of the LLaVA-NeXT-interleave on 22 datasets across three different tasks: Multi-Image Reasoning, Documents and Knowledge-Based Understanding and Interactive Multi-Modal Communication. Secondly, we add the Dense Channel Integration (DCI) connector to the LLaVA-NeXT-Interleave and compare its performance against the standard model. We find that the standard model achieves the highest overall accuracy, excelling in vision-heavy tasks like VISION, NLVR2, and Fashion200K. Meanwhile, the DCI-enhanced version shows particular strength on datasets requiring deeper semantic coherence or structured change understanding such as MIT-States_PropertyCoherence and SlideVQA. Our results highlight the potential of combining powerful foundation models with plug-and-play techniques for Interleave tasks. The code is available at https://github.com/dinhvietcuong1996/icme25-inova.
☆ The Cambrian Explosion of Mixed-Precision Matrix Multiplication for Quantized Deep Learning Inference
Recent advances in deep learning (DL) have led to a shift from traditional 64-bit floating point (FP64) computations toward reduced-precision formats, such as FP16, BF16, and 8- or 16-bit integers, combined with mixed-precision arithmetic. This transition enhances computational throughput, reduces memory and bandwidth usage, and improves energy efficiency, offering significant advantages for resource-constrained edge devices. To support this shift, hardware architectures have evolved accordingly, now including adapted ISAs (Instruction Set Architectures) that expose mixed-precision vector units and matrix engines tailored for DL workloads. At the heart of many DL and scientific computing tasks is the general matrix-matrix multiplication gemm, a fundamental kernel historically optimized using axpy vector instructions on SIMD (single instruction, multiple data) units. However, as hardware moves toward mixed-precision dot-product-centric operations optimized for quantized inference, these legacy approaches are being phased out. In response to this, our paper revisits traditional high-performance gemm and describes strategies for adapting it to mixed-precision integer (MIP) arithmetic across modern ISAs, including x86_64, ARM, and RISC-V. Concretely, we illustrate novel micro-kernel designs and data layouts that better exploit today's specialized hardware and demonstrate significant performance gains from MIP arithmetic over floating-point implementations across three representative CPU architectures. These contributions highlight a new era of gemm optimization-driven by the demands of DL inference on heterogeneous architectures, marking what we term as the "Cambrian period" for matrix multiplication.
comment: 16 pages, 7 tables, 7 figures
☆ Configurable Preference Tuning with Rubric-Guided Synthetic Data ICML 2025
Models of human feedback for AI alignment, such as those underpinning Direct Preference Optimization (DPO), often bake in a singular, static set of preferences, limiting adaptability. This paper challenges the assumption of monolithic preferences by introducing Configurable Preference Tuning (CPT), a novel framework for endowing language models with the ability to dynamically adjust their behavior based on explicit, human-interpretable directives. CPT leverages synthetically generated preference data, conditioned on system prompts derived from structured, fine-grained rubrics that define desired attributes like writing style. By fine-tuning with these rubric-guided preferences, the LLM learns to modulate its outputs at inference time in response to the system prompt, without retraining. This approach not only offers fine-grained control but also provides a mechanism for modeling more nuanced and context-dependent human feedback. Several experimental artifacts, such as training code, generated datasets and fine-tuned models are released at https://github.com/vicgalle/configurable-preference-tuning
comment: Accepted to ICML 2025 Workshop on Models of Human Feedback for AI Alignment
LLMs for Sentence Simplification: A Hybrid Multi-Agent prompting Approach
This paper addresses the challenge of transforming complex sentences into sequences of logical, simplified sentences while preserving semantic and logical integrity with the help of Large Language Models. We propose a hybrid approach that combines advanced prompting with multi-agent architectures to enhance the sentence simplification process. Experimental results show that our approach was able to successfully simplify 70% of the complex sentences written for video game design application. In comparison, a single-agent approach attained a 48% success rate on the same task.
☆ Improving Causal Interventions in Amnesic Probing with Mean Projection or LEACE
Amnesic probing is a technique used to examine the influence of specific linguistic information on the behaviour of a model. This involves identifying and removing the relevant information and then assessing whether the model's performance on the main task changes. If the removed information is relevant, the model's performance should decline. The difficulty with this approach lies in removing only the target information while leaving other information unchanged. It has been shown that Iterative Nullspace Projection (INLP), a widely used removal technique, introduces random modifications to representations when eliminating target information. We demonstrate that Mean Projection (MP) and LEACE, two proposed alternatives, remove information in a more targeted manner, thereby enhancing the potential for obtaining behavioural explanations through Amnesic Probing.
☆ Converting Annotated Clinical Cases into Structured Case Report Forms
Case Report Forms (CRFs) are largely used in medical research as they ensure accuracy, reliability, and validity of results in clinical studies. However, publicly available, wellannotated CRF datasets are scarce, limiting the development of CRF slot filling systems able to fill in a CRF from clinical notes. To mitigate the scarcity of CRF datasets, we propose to take advantage of available datasets annotated for information extraction tasks and to convert them into structured CRFs. We present a semi-automatic conversion methodology, which has been applied to the E3C dataset in two languages (English and Italian), resulting in a new, high-quality dataset for CRF slot filling. Through several experiments on the created dataset, we report that slot filling achieves 59.7% for Italian and 67.3% for English on a closed Large Language Models (zero-shot) and worse performances on three families of open-source models, showing that filling CRFs is challenging even for recent state-of-the-art LLMs. We release the datest at https://huggingface.co/collections/NLP-FBK/e3c-to-crf-67b9844065460cbe42f80166
comment: to be published in BioNLP 2025
☆ LoRA-Gen: Specializing Large Language Model via Online LoRA Generation
Recent advances have highlighted the benefits of scaling language models to enhance performance across a wide range of NLP tasks. However, these approaches still face limitations in effectiveness and efficiency when applied to domain-specific tasks, particularly for small edge-side models. We propose the LoRA-Gen framework, which utilizes a large cloud-side model to generate LoRA parameters for edge-side models based on task descriptions. By employing the reparameterization technique, we merge the LoRA parameters into the edge-side model to achieve flexible specialization. Our method facilitates knowledge transfer between models while significantly improving the inference efficiency of the specialized model by reducing the input context length. Without specialized training, LoRA-Gen outperforms conventional LoRA fine-tuning, which achieves competitive accuracy and a 2.1x speedup with TinyLLaMA-1.1B in reasoning tasks. Besides, our method delivers a compression ratio of 10.1x with Gemma-2B on intelligent agent tasks.
☆ SceneGram: Conceptualizing and Describing Tangrams in Scene Context ACL
Research on reference and naming suggests that humans can come up with very different ways of conceptualizing and referring to the same object, e.g. the same abstract tangram shape can be a "crab", "sink" or "space ship". Another common assumption in cognitive science is that scene context fundamentally shapes our visual perception of objects and conceptual expectations. This paper contributes SceneGram, a dataset of human references to tangram shapes placed in different scene contexts, allowing for systematic analyses of the effect of scene context on conceptualization. Based on this data, we analyze references to tangram shapes generated by multimodal LLMs, showing that these models do not account for the richness and variability of conceptualizations found in human references.
comment: To appear in ACL Findings 2025
☆ (SimPhon Speech Test): A Data-Driven Method for In Silico Design and Validation of a Phonetically Balanced Speech Test
Traditional audiometry often provides an incomplete characterization of the functional impact of hearing loss on speech understanding, particularly for supra-threshold deficits common in presbycusis. This motivates the development of more diagnostically specific speech perception tests. We introduce the Simulated Phoneme Speech Test (SimPhon Speech Test) methodology, a novel, multi-stage computational pipeline for the in silico design and validation of a phonetically balanced minimal-pair speech test. This methodology leverages a modern Automatic Speech Recognition (ASR) system as a proxy for a human listener to simulate the perceptual effects of sensorineural hearing loss. By processing speech stimuli under controlled acoustic degradation, we first identify the most common phoneme confusion patterns. These patterns then guide the data-driven curation of a large set of candidate word pairs derived from a comprehensive linguistic corpus. Subsequent phases involving simulated diagnostic testing, expert human curation, and a final, targeted sensitivity analysis systematically reduce the candidates to a final, optimized set of 25 pairs (the SimPhon Speech Test-25). A key finding is that the diagnostic performance of the SimPhon Speech Test-25 test items shows no significant correlation with predictions from the standard Speech Intelligibility Index (SII), suggesting the SimPhon Speech Test captures perceptual deficits beyond simple audibility. This computationally optimized test set offers a significant increase in efficiency for audiological test development, ready for initial human trials.
☆ VLM@school -- Evaluation of AI image understanding on German middle school knowledge
This paper introduces a novel benchmark dataset designed to evaluate the capabilities of Vision Language Models (VLMs) on tasks that combine visual reasoning with subject-specific background knowledge in the German language. In contrast to widely used English-language benchmarks that often rely on artificially difficult or decontextualized problems, this dataset draws from real middle school curricula across nine domains including mathematics, history, biology, and religion. The benchmark includes over 2,000 open-ended questions grounded in 486 images, ensuring that models must integrate visual interpretation with factual reasoning rather than rely on superficial textual cues. We evaluate thirteen state-of-the-art open-weight VLMs across multiple dimensions, including domain-specific accuracy and performance on adversarial crafted questions. Our findings reveal that even the strongest models achieve less than 45% overall accuracy, with particularly poor performance in music, mathematics, and adversarial settings. Furthermore, the results indicate significant discrepancies between success on popular benchmarks and real-world multimodal understanding. We conclude that middle school-level tasks offer a meaningful and underutilized avenue for stress-testing VLMs, especially in non-English contexts. The dataset and evaluation protocol serve as a rigorous testbed to better understand and improve the visual and linguistic reasoning capabilities of future AI systems.
☆ Are LLMs Good Text Diacritizers? An Arabic and Yorùbá Case Study
We investigate the effectiveness of large language models (LLMs) for text diacritization in two typologically distinct languages: Arabic and Yoruba. To enable a rigorous evaluation, we introduce a novel multilingual dataset MultiDiac, with diverse samples that capture a range of diacritic ambiguities. We evaluate 14 LLMs varying in size, accessibility, and language coverage, and benchmark them against 6 specialized diacritization models. Additionally, we fine-tune four small open-source models using LoRA for Yoruba. Our results show that many off-the-shelf LLMs outperform specialized diacritization models for both Arabic and Yoruba, but smaller models suffer from hallucinations. Fine-tuning on a small dataset can help improve diacritization performance and reduce hallucination rates.
☆ DaMO: A Data-Efficient Multimodal Orchestrator for Temporal Reasoning with Video LLMs
Large Language Models (LLMs) have recently been extended to the video domain, enabling sophisticated video-language understanding. However, existing Video LLMs often exhibit limitations in fine-grained temporal reasoning, restricting their ability to precisely attribute responses to specific video moments, especially under constrained supervision. We introduce DaMO, a data-efficient Video LLM explicitly designed for accurate temporal reasoning and multimodal understanding. At its core, the proposed Temporal-aware Fuseformer employs a hierarchical dual-stream architecture that progressively captures temporal dynamics within each modality and effectively fuses complementary visual and audio information. To further enhance computational efficiency, DaMO integrates a global residual that reduces spatial redundancy while preserving essential semantic details. We train DaMO via a structured four-stage progressive training paradigm, incrementally equipping the model with multimodal alignment, semantic grounding, and temporal reasoning capabilities. This work also contributes multiple datasets augmented from existing ones with GPT-generated temporally grounded QA pairs for tasks requiring temporal supervision. Comprehensive experiments on temporal grounding and video QA benchmarks demonstrate that DaMO consistently surpasses prior methods, particularly in tasks demanding precise temporal alignment and reasoning. Our work establishes a promising direction for data-efficient video-language modeling.
☆ From Persona to Person: Enhancing the Naturalness with Multiple Discourse Relations Graph Learning in Personalized Dialogue Generation KDD 2025
In dialogue generation, the naturalness of responses is crucial for effective human-machine interaction. Personalized response generation poses even greater challenges, as the responses must remain coherent and consistent with the user's personal traits or persona descriptions. We propose MUDI ($\textbf{Mu}$ltiple $\textbf{Di}$scourse Relations Graph Learning) for personalized dialogue generation. We utilize a Large Language Model to assist in annotating discourse relations and to transform dialogue data into structured dialogue graphs. Our graph encoder, the proposed DialogueGAT model, then captures implicit discourse relations within this structure, along with persona descriptions. During the personalized response generation phase, novel coherence-aware attention strategies are implemented to enhance the decoder's consideration of discourse relations. Our experiments demonstrate significant improvements in the quality of personalized responses, thus resembling human-like dialogue exchanges.
comment: Accepted by PAKDD 2025
☆ RAG+: Enhancing Retrieval-Augmented Generation with Application-Aware Reasoning
The integration of external knowledge through Retrieval-Augmented Generation (RAG) has become foundational in enhancing large language models (LLMs) for knowledge-intensive tasks. However, existing RAG paradigms often overlook the cognitive step of applying knowledge, leaving a gap between retrieved facts and task-specific reasoning. In this work, we introduce RAG+, a principled and modular extension that explicitly incorporates application-aware reasoning into the RAG pipeline. RAG+ constructs a dual corpus consisting of knowledge and aligned application examples, created either manually or automatically, and retrieves both jointly during inference. This design enables LLMs not only to access relevant information but also to apply it within structured, goal-oriented reasoning processes. Experiments across mathematical, legal, and medical domains, conducted on multiple models, demonstrate that RAG+ consistently outperforms standard RAG variants, achieving average improvements of 3-5%, and peak gains up to 7.5% in complex scenarios. By bridging retrieval with actionable application, RAG+ advances a more cognitively grounded framework for knowledge integration, representing a step toward more interpretable and capable LLMs.
☆ Brewing Knowledge in Context: Distillation Perspectives on In-Context Learning
In-context learning (ICL) allows large language models (LLMs) to solve novel tasks without weight updates. Despite its empirical success, the mechanism behind ICL remains poorly understood, limiting our ability to interpret, improve, and reliably apply it. In this paper, we propose a new theoretical perspective that interprets ICL as an implicit form of knowledge distillation (KD), where prompt demonstrations guide the model to form a task-specific reference model during inference. Under this view, we derive a Rademacher complexity-based generalization bound and prove that the bias of the distilled weights grows linearly with the Maximum Mean Discrepancy (MMD) between the prompt and target distributions. This theoretical framework explains several empirical phenomena and unifies prior gradient-based and distributional analyses. To the best of our knowledge, this is the first to formalize inference-time attention as a distillation process, which provides theoretical insights for future prompt engineering and automated demonstration selection.
comment: 10 main pages, 10 page appendix
☆ Manager: Aggregating Insights from Unimodal Experts in Two-Tower VLMs and MLLMs
Two-Tower Vision--Language Models (VLMs) have demonstrated strong performance across various downstream VL tasks. While BridgeTower further enhances performance by building bridges between encoders, it \textit{(i)} suffers from ineffective layer-by-layer utilization of unimodal representations, \textit{(ii)} restricts the flexible exploitation of different levels of unimodal semantic knowledge, and \textit{(iii)} is limited to the evaluation on traditional low-resolution datasets only with the Two-Tower VLM architecture. In this work, we propose Manager, a lightweight, efficient and effective plugin that adaptively aggregates insights from different levels of pre-trained unimodal experts to facilitate more comprehensive VL alignment and fusion. First, under the Two-Tower VLM architecture, we introduce ManagerTower, a novel VLM that introduces the manager in each cross-modal layer. Whether with or without VL pre-training, ManagerTower outperforms previous strong baselines and achieves superior performance on 4 downstream VL tasks. Moreover, we extend our exploration to the latest Multimodal Large Language Model (MLLM) architecture. We demonstrate that LLaVA-OV-Manager significantly boosts the zero-shot performance of LLaVA-OV across different categories of capabilities, images, and resolutions on 20 downstream datasets, whether the multi-grid algorithm is enabled or not. In-depth analysis reveals that both our manager and the multi-grid algorithm can be viewed as a plugin that improves the visual representation by capturing more diverse visual details from two orthogonal perspectives (depth and width). Their synergy can mitigate the semantic ambiguity caused by the multi-grid algorithm and further improve performance. Code and models are available at https://github.com/LooperXX/ManagerTower.
comment: Accepted by IEEE Transactions on Circuits and Systems for Video Technology (TCSVT). June 2025. DOI: https://doi.org/10.1109/TCSVT.2025.3578266
☆ On the Effectiveness of Integration Methods for Multimodal Dialogue Response Retrieval
Multimodal chatbots have become one of the major topics for dialogue systems in both research community and industry. Recently, researchers have shed light on the multimodality of responses as well as dialogue contexts. This work explores how a dialogue system can output responses in various modalities such as text and image. To this end, we first formulate a multimodal dialogue response retrieval task for retrieval-based systems as the combination of three subtasks. We then propose three integration methods based on a two-step approach and an end-to-end approach, and compare the merits and demerits of each method. Experimental results on two datasets demonstrate that the end-to-end approach achieves comparable performance without an intermediate step in the two-step approach. In addition, a parameter sharing strategy not only reduces the number of parameters but also boosts performance by transferring knowledge across the subtasks and the modalities.
comment: 9 pages, 1 figure
☆ Lag-Relative Sparse Attention In Long Context Training
Large Language Models (LLMs) have made significant strides in natural language processing and generation, yet their ability to handle long-context input remains constrained by the quadratic complexity of attention computation and linear-increasing key-value memory footprint. To reduce computational costs and memory, key-value cache compression techniques are commonly applied at inference time, but this often leads to severe performance degradation, as models are not trained to handle compressed context. Although there are more sophisticated compression methods, they are typically unsuitable for post-training because of their incompatibility with gradient-based optimization or high computation overhead. To fill this gap with no additional parameter and little computation overhead, we propose Lag-Relative Sparse Attention(LRSA) anchored by the LagKV compression method for long context post-training. Our method performs chunk-by-chunk prefilling, which selects the top K most relevant key-value pairs in a fixed-size lagging window, allowing the model to focus on salient historical context while maintaining efficiency. Experimental results show that our approach significantly enhances the robustness of the LLM with key-value compression and achieves better fine-tuned results in the question-answer tuning task.
☆ Relational Schemata in BERT Are Inducible, Not Emergent: A Study of Performance vs. Competence in Language Models
While large language models like BERT demonstrate strong empirical performance on semantic tasks, whether this reflects true conceptual competence or surface-level statistical association remains unclear. I investigate whether BERT encodes abstract relational schemata by examining internal representations of concept pairs across taxonomic, mereological, and functional relations. I compare BERT's relational classification performance with representational structure in [CLS] token embeddings. Results reveal that pretrained BERT enables high classification accuracy, indicating latent relational signals. However, concept pairs organize by relation type in high-dimensional embedding space only after fine-tuning on supervised relation classification tasks. This indicates relational schemata are not emergent from pretraining alone but can be induced via task scaffolding. These findings demonstrate that behavioral performance does not necessarily imply structured conceptual understanding, though models can acquire inductive biases for grounded relational abstraction through appropriate training.
comment: 15 pages, 4 figures, 3 tables
☆ ImmunoFOMO: Are Language Models missing what oncologists see?
Language models (LMs) capabilities have grown with a fast pace over the past decade leading researchers in various disciplines, such as biomedical research, to increasingly explore the utility of LMs in their day-to-day applications. Domain specific language models have already been in use for biomedical natural language processing (NLP) applications. Recently however, the interest has grown towards medical language models and their understanding capabilities. In this paper, we investigate the medical conceptual grounding of various language models against expert clinicians for identification of hallmarks of immunotherapy in breast cancer abstracts. Our results show that pre-trained language models have potential to outperform large language models in identifying very specific (low-level) concepts.
☆ AutoGen Driven Multi Agent Framework for Iterative Crime Data Analysis and Prediction
This paper introduces LUCID-MA (Learning and Understanding Crime through Dialogue of Multiple Agents), an innovative AI powered framework where multiple AI agents collaboratively analyze and understand crime data. Our system that consists of three core components: an analysis assistant that highlights spatiotemporal crime patterns, a feedback component that reviews and refines analytical results and a prediction component that forecasts future crime trends. With a well-designed prompt and the LLaMA-2-13B-Chat-GPTQ model, it runs completely offline and allows the agents undergo self-improvement through 100 rounds of communication with less human interaction. A scoring function is incorporated to evaluate agent's performance, providing visual plots to track learning progress. This work demonstrates the potential of AutoGen-style agents for autonomous, scalable, and iterative analysis in social science domains maintaining data privacy through offline execution.
☆ Med-PRM: Medical Reasoning Models with Stepwise, Guideline-verified Process Rewards
Large language models have shown promise in clinical decision making, but current approaches struggle to localize and correct errors at specific steps of the reasoning process. This limitation is critical in medicine, where identifying and addressing reasoning errors is essential for accurate diagnosis and effective patient care. We introduce Med-PRM, a process reward modeling framework that leverages retrieval-augmented generation to verify each reasoning step against established medical knowledge bases. By verifying intermediate reasoning steps with evidence retrieved from clinical guidelines and literature, our model can precisely assess the reasoning quality in a fine-grained manner. Evaluations on five medical QA benchmarks and two open-ended diagnostic tasks demonstrate that Med-PRM achieves state-of-the-art performance, with improving the performance of base models by up to 13.50% using Med-PRM. Moreover, we demonstrate the generality of Med-PRM by integrating it in a plug-and-play fashion with strong policy models such as Meerkat, achieving over 80\% accuracy on MedQA for the first time using small-scale models of 8 billion parameters. Our code and data are available at: https://med-prm.github.io/
☆ A Gamified Evaluation and Recruitment Platform for Low Resource Language Machine Translation Systems
Human evaluators provide necessary contributions in evaluating large language models. In the context of Machine Translation (MT) systems for low-resource languages (LRLs), this is made even more apparent since popular automated metrics tend to be string-based, and therefore do not provide a full picture of the nuances of the behavior of the system. Human evaluators, when equipped with the necessary expertise of the language, will be able to test for adequacy, fluency, and other important metrics. However, the low resource nature of the language means that both datasets and evaluators are in short supply. This presents the following conundrum: How can developers of MT systems for these LRLs find adequate human evaluators and datasets? This paper first presents a comprehensive review of existing evaluation procedures, with the objective of producing a design proposal for a platform that addresses the resource gap in terms of datasets and evaluators in developing MT systems. The result is a design for a recruitment and gamified evaluation platform for developers of MT systems. Challenges are also discussed in terms of evaluating this platform, as well as its possible applications in the wider scope of Natural Language Processing (NLP) research.
comment: 7 pages, 7 figures, presented at the HEAL Workshop at CHI
☆ AbsenceBench: Language Models Can't Tell What's Missing
Large language models (LLMs) are increasingly capable of processing long inputs and locating specific information within them, as evidenced by their performance on the Needle in a Haystack (NIAH) test. However, while models excel at recalling surprising information, they still struggle to identify clearly omitted information. We introduce AbsenceBench to assesses LLMs' capacity to detect missing information across three domains: numerical sequences, poetry, and GitHub pull requests. AbsenceBench asks models to identify which pieces of a document were deliberately removed, given access to both the original and edited contexts. Despite the apparent straightforwardness of these tasks, our experiments reveal that even state-of-the-art models like Claude-3.7-Sonnet achieve only 69.6% F1-score with a modest average context length of 5K tokens. Our analysis suggests this poor performance stems from a fundamental limitation: Transformer attention mechanisms cannot easily attend to "gaps" in documents since these absences don't correspond to any specific keys that can be attended to. Overall, our results and analysis provide a case study of the close proximity of tasks where models are already superhuman (NIAH) and tasks where models breakdown unexpectedly (AbsenceBench).
comment: 23 pages, 8 figures. Code and data are publicly available at https://github.com/harvey-fin/absence-bench
☆ KoGEC : Korean Grammatical Error Correction with Pre-trained Translation Models
This research introduces KoGEC, a Korean Grammatical Error Correction system using pre\--trained translation models. We fine-tuned NLLB (No Language Left Behind) models for Korean GEC, comparing their performance against large language models like GPT-4 and HCX-3. The study used two social media conversation datasets for training and testing. The NLLB models were fine-tuned using special language tokens to distinguish between original and corrected Korean sentences. Evaluation was done using BLEU scores and an "LLM as judge" method to classify error types. Results showed that the fine-tuned NLLB (KoGEC) models outperformed GPT-4o and HCX-3 in Korean GEC tasks. KoGEC demonstrated a more balanced error correction profile across various error types, whereas the larger LLMs tended to focus less on punctuation errors. We also developed a Chrome extension to make the KoGEC system accessible to users. Finally, we explored token vocabulary expansion to further improve the model but found it to decrease model performance. This research contributes to the field of NLP by providing an efficient, specialized Korean GEC system and a new evaluation method. It also highlights the potential of compact, task-specific models to compete with larger, general-purpose language models in specialized NLP tasks.
comment: 11 pages, 2 figures
Agent-RLVR: Training Software Engineering Agents via Guidance and Environment Rewards
Reinforcement Learning from Verifiable Rewards (RLVR) has been widely adopted as the de facto method for enhancing the reasoning capabilities of large language models and has demonstrated notable success in verifiable domains like math and competitive programming tasks. However, the efficacy of RLVR diminishes significantly when applied to agentic environments. These settings, characterized by multi-step, complex problem solving, lead to high failure rates even for frontier LLMs, as the reward landscape is too sparse for effective model training via conventional RLVR. In this work, we introduce Agent-RLVR, a framework that makes RLVR effective in challenging agentic settings, with an initial focus on software engineering tasks. Inspired by human pedagogy, Agent-RLVR introduces agent guidance, a mechanism that actively steers the agent towards successful trajectories by leveraging diverse informational cues. These cues, ranging from high-level strategic plans to dynamic feedback on the agent's errors and environmental interactions, emulate a teacher's guidance, enabling the agent to navigate difficult solution spaces and promotes active self-improvement via additional environment exploration. In the Agent-RLVR training loop, agents first attempt to solve tasks to produce initial trajectories, which are then validated by unit tests and supplemented with agent guidance. Agents then reattempt with guidance, and the agent policy is updated with RLVR based on the rewards of these guided trajectories. Agent-RLVR elevates the pass@1 performance of Qwen-2.5-72B-Instruct from 9.4% to 22.4% on SWE-Bench Verified. We find that our guidance-augmented RLVR data is additionally useful for test-time reward model training, shown by further boosting pass@1 to 27.8%. Agent-RLVR lays the groundwork for training agents with RLVR in complex, real-world environments where conventional RL methods struggle.
☆ Efficient Long-Context LLM Inference via KV Cache Clustering
Large language models (LLMs) with extended context windows have become increasingly prevalent for tackling complex tasks. However, the substantial Key-Value (KV) cache required for long-context LLMs poses significant deployment challenges. Existing approaches either discard potentially critical information needed for future generations or offer limited efficiency gains due to high computational overhead. In this paper, we introduce Chelsea, a simple yet effective framework for online KV cache clustering. Our approach is based on the observation that key states exhibit high similarity along the sequence dimension. To enable efficient clustering, we divide the sequence into chunks and propose Chunked Soft Matching, which employs an alternating partition strategy within each chunk and identifies clusters based on similarity. Chelsea then merges the KV cache within each cluster into a single centroid. Additionally, we provide a theoretical analysis of the computational complexity and the optimality of the intra-chunk partitioning strategy. Extensive experiments across various models and long-context benchmarks demonstrate that Chelsea achieves up to 80% reduction in KV cache memory usage while maintaining comparable model performance. Moreover, with minimal computational overhead, Chelsea accelerates the decoding stage of inference by up to 3.19$\times$ and reduces end-to-end latency by up to 2.72$\times$.
Cartridges: Lightweight and general-purpose long context representations via self-study
Large language models are often used to answer queries grounded in large text corpora (e.g. codebases, legal documents, or chat histories) by placing the entire corpus in the context window and leveraging in-context learning (ICL). Although current models support contexts of 100K-1M tokens, this setup is costly to serve because the memory consumption of the KV cache scales with input length. We explore an alternative: training a smaller KV cache offline on each corpus. At inference time, we load this trained KV cache, which we call a Cartridge, and decode a response. Critically, the cost of training a Cartridge can be amortized across all the queries referencing the same corpus. However, we find that the naive approach of training the Cartridge with next-token prediction on the corpus is not competitive with ICL. Instead, we propose self-study, a training recipe in which we generate synthetic conversations about the corpus and train the Cartridge with a context-distillation objective. We find that Cartridges trained with self-study replicate the functionality of ICL, while being significantly cheaper to serve. On challenging long-context benchmarks, Cartridges trained with self-study match ICL performance while using 38.6x less memory and enabling 26.4x higher throughput. Self-study also extends the model's effective context length (e.g. from 128k to 484k tokens on MTOB) and surprisingly, leads to Cartridges that can be composed at inference time without retraining.
♻ ☆ e3: Learning to Explore Enables Extrapolation of Test-Time Compute for LLMs
Test-time scaling offers a promising path to improve LLM reasoning by utilizing more compute at inference time; however, the true promise of this paradigm lies in extrapolation (i.e., improvement in performance on hard problems as LLMs keep "thinking" for longer, beyond the maximum token budget they were trained on). Surprisingly, we find that most existing reasoning models do not extrapolate well. We show that one way to enable extrapolation is by training the LLM to perform in-context exploration: training the LLM to effectively spend its test time budget by chaining operations (such as generation, verification, refinement, etc.), or testing multiple hypotheses before it commits to an answer. To enable in-context exploration, we identify three key ingredients as part of our recipe e3: (1) chaining skills that the base LLM has asymmetric competence in, e.g., chaining verification (easy) with generation (hard), as a way to implement in-context search; (2) leveraging "negative" gradients from incorrect traces to amplify exploration during RL, resulting in longer search traces that chains additional asymmetries; and (3) coupling task difficulty with training token budget during training via a specifically-designed curriculum to structure in-context exploration. Our recipe e3 produces the best known 1.7B model according to AIME'25 and HMMT'25 scores, and extrapolates to 2x the training token budget. Our e3-1.7B model not only attains high pass@1 scores, but also improves pass@k over the base model.
♻ ☆ Improving Large Language Models with Concept-Aware Fine-Tuning
Large language models (LLMs) have become the cornerstone of modern AI. However, the existing paradigm of next-token prediction fundamentally limits their ability to form coherent, high-level concepts, making it a critical barrier to human-like understanding and reasoning. Take the phrase "ribonucleic acid" as an example: an LLM will first decompose it into tokens, i.e., artificial text fragments ("rib", "on", ...), then learn each token sequentially, rather than grasping the phrase as a unified, coherent semantic entity. This fragmented representation hinders deeper conceptual understanding and, ultimately, the development of truly intelligent systems. In response, we introduce Concept-Aware Fine-Tuning (CAFT), a novel multi-token training method that redefines how LLMs are fine-tuned. By enabling the learning of sequences that span multiple tokens, this method fosters stronger concept-aware learning. Our experiments demonstrate significant improvements compared to conventional next-token finetuning methods across diverse tasks, including traditional applications like text summarization and domain-specific ones like de novo protein design. Multi-token prediction was previously only possible in the prohibitively expensive pretraining phase; CAFT, to our knowledge, is the first to bring the multi-token setting to the post-training phase, thus effectively democratizing its benefits for the broader community of practitioners and researchers. Finally, the unexpected effectiveness of our proposed method suggests wider implications for the machine learning research community. All code and data are available at https://github.com/michaelchen-lab/caft-llm
♻ ☆ Impact of Frame Rates on Speech Tokenizer: A Case Study on Mandarin and English
The speech tokenizer plays a crucial role in recent speech tasks, generally serving as a bridge between speech signals and language models. While low-frame-rate codecs are widely employed as speech tokenizers, the impact of frame rates on speech tokens remains underexplored. In this study, we investigate how varying frame rates affect speech tokenization by examining Mandarin and English, two typologically distinct languages. We encode speech at different frame rates and evaluate the resulting semantic tokens in the speech recognition task. Our findings reveal that frame rate variations influence speech tokenization differently for each language, highlighting the interplay between frame rates, phonetic density, and language-specific acoustic features. The results provide insights into optimizing frame rate selection for speech tokenizers, with implications for automatic speech recognition, text-to-speech, and other speech-related applications.
comment: 6 pages, 5 figures
♻ ☆ Factual Knowledge in Language Models: Robustness and Anomalies under Simple Temporal Context Variations ACL 2025
This paper explores the robustness of language models (LMs) to variations in the temporal context within factual knowledge. It examines whether LMs can correctly associate a temporal context with a past fact valid over a defined period, by asking them to differentiate correct from incorrect contexts. The LMs' ability to distinguish is analyzed along two dimensions: the distance of the incorrect context from the validity period and the granularity of the context. To this end, a dataset called TimeStress is introduced, enabling the evaluation of 18 diverse LMs. Results reveal that the best LM achieves a perfect distinction for only 11% of the studied facts, with errors, certainly rare, but critical that humans would not make. This work highlights the limitations of current LMs in temporal representation.
comment: preprint v5, accepted for publication at ACL 2025 - L2M2 Workshop
♻ ☆ Enhancing multimodal analogical reasoning with Logic Augmented Generation
Recent advances in Large Language Models have demonstrated their capabilities across a variety of tasks. However, automatically extracting implicit knowledge from natural language remains a significant challenge, as machines lack active experience with the physical world. Given this scenario, semantic knowledge graphs can serve as conceptual spaces that guide the automated text generation reasoning process to achieve more efficient and explainable results. In this paper, we apply a logic-augmented generation (LAG) framework that leverages the explicit representation of a text through a semantic knowledge graph and applies it in combination with prompt heuristics to elicit implicit analogical connections. This method generates extended knowledge graph triples representing implicit meaning, enabling systems to reason on unlabeled multimodal data regardless of the domain. We validate our work through three metaphor detection and understanding tasks across four datasets, as they require deep analogical reasoning capabilities. The results show that this integrated approach surpasses current baselines, performs better than humans in understanding visual metaphors, and enables more explainable reasoning processes, though still has inherent limitations in metaphor understanding, especially for domain-specific metaphors. Furthermore, we propose a thorough error analysis, discussing issues with metaphorical annotations and current evaluation methods.
♻ ☆ Explainability of Large Language Models using SMILE: Statistical Model-agnostic Interpretability with Local Explanations
Large language models like GPT, LLAMA, and Claude have become incredibly powerful at generating text, but they are still black boxes, so it is hard to understand how they decide what to say. That lack of transparency can be problematic, especially in fields where trust and accountability matter. To help with this, we introduce SMILE, a new method that explains how these models respond to different parts of a prompt. SMILE is model-agnostic and works by slightly changing the input, measuring how the output changes, and then highlighting which words had the most impact. Create simple visual heat maps showing which parts of a prompt matter the most. We tested SMILE on several leading LLMs and used metrics such as accuracy, consistency, stability, and fidelity to show that it gives clear and reliable explanations. By making these models easier to understand, SMILE brings us one step closer to making AI more transparent and trustworthy.
comment: arXiv admin note: text overlap with arXiv:2412.16277
♻ ☆ T1: Advancing Language Model Reasoning through Reinforcement Learning and Inference Scaling ICML 2025
Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks. However, existing approaches mainly rely on imitation learning and struggle to achieve effective test-time scaling. While reinforcement learning (RL) holds promise for enabling self-exploration, recent attempts yield modest improvements in complex reasoning. In this paper, we present T1 to scale RL by encouraging exploration and understand inference scaling. We first initialize the LLM using synthesized chain-of-thought data that integrates trial-and-error and self-verification. To scale RL training, we promote increased sampling diversity through oversampling. We demonstrate that T1 with open LLMs as its base exhibits inference scaling behavior and achieves superior performance on challenging math reasoning benchmarks. More importantly, we present a simple strategy to examine inference scaling, where increased inference budgets directly lead to T1's better performance without any additional verification.
comment: Accepted to ICML 2025
♻ ☆ Graph of Attacks with Pruning: Optimizing Stealthy Jailbreak Prompt Generation for Enhanced LLM Content Moderation
As large language models (LLMs) become increasingly prevalent, ensuring their robustness against adversarial misuse is crucial. This paper introduces the GAP (Graph of Attacks with Pruning) framework, an advanced approach for generating stealthy jailbreak prompts to evaluate and enhance LLM safeguards. GAP addresses limitations in existing tree-based LLM jailbreak methods by implementing an interconnected graph structure that enables knowledge sharing across attack paths. Our experimental evaluation demonstrates GAP's superiority over existing techniques, achieving a 20.8% increase in attack success rates while reducing query costs by 62.7%. GAP consistently outperforms state-of-the-art methods for attacking both open and closed LLMs, with attack success rates of >96%. Additionally, we present specialized variants like GAP-Auto for automated seed generation and GAP-VLM for multimodal attacks. GAP-generated prompts prove highly effective in improving content moderation systems, increasing true positive detection rates by 108.5% and accuracy by 183.6% when used for fine-tuning. Our implementation is available at https://github.com/dsbuddy/GAP-LLM-Safety.
comment: 14 pages, 5 figures
♻ ☆ SAP-Bench: Benchmarking Multimodal Large Language Models in Surgical Action Planning
Effective evaluation is critical for driving advancements in MLLM research. The surgical action planning (SAP) task, which aims to generate future action sequences from visual inputs, demands precise and sophisticated analytical capabilities. Unlike mathematical reasoning, surgical decision-making operates in life-critical domains and requires meticulous, verifiable processes to ensure reliability and patient safety. This task demands the ability to distinguish between atomic visual actions and coordinate complex, long-horizon procedures, capabilities that are inadequately evaluated by current benchmarks. To address this gap, we introduce SAP-Bench, a large-scale, high-quality dataset designed to enable multimodal large language models (MLLMs) to perform interpretable surgical action planning. Our SAP-Bench benchmark, derived from the cholecystectomy procedures context with the mean duration of 1137.5s, and introduces temporally-grounded surgical action annotations, comprising the 1,226 clinically validated action clips (mean duration: 68.7s) capturing five fundamental surgical actions across 74 procedures. The dataset provides 1,152 strategically sampled current frames, each paired with the corresponding next action as multimodal analysis anchors. We propose the MLLM-SAP framework that leverages MLLMs to generate next action recommendations from the current surgical scene and natural language instructions, enhanced with injected surgical domain knowledge. To assess our dataset's effectiveness and the broader capabilities of current models, we evaluate seven state-of-the-art MLLMs (e.g., OpenAI-o1, GPT-4o, QwenVL2.5-72B, Claude-3.5-Sonnet, GeminiPro2.5, Step-1o, and GLM-4v) and reveal critical gaps in next action prediction performance.
comment: The authors could not reach a consensus on the final version of this paper, necessitating its withdrawal
♻ ☆ Long-context Non-factoid Question Answering in Indic Languages
Question Answering (QA) tasks, which involve extracting answers from a given context, are relatively straightforward for modern Large Language Models (LLMs) when the context is short. However, long contexts pose challenges due to the quadratic complexity of the self-attention mechanism. This challenge is compounded in Indic languages, which are often low-resource. This study explores context-shortening techniques, including Open Information Extraction (OIE), coreference resolution, Answer Paragraph Selection (APS), and their combinations, to improve QA performance. Compared to the baseline of unshortened (long) contexts, our experiments on four Indic languages (Hindi, Tamil, Telugu, and Urdu) demonstrate that context-shortening techniques yield an average improvement of 4\% in semantic scores and 47\% in token-level scores when evaluated on three popular LLMs without fine-tuning. Furthermore, with fine-tuning, we achieve an average increase of 2\% in both semantic and token-level scores. Additionally, context-shortening reduces computational overhead. Explainability techniques like LIME and SHAP reveal that when the APS model confidently identifies the paragraph containing the answer, nearly all tokens within the selected text receive high relevance scores. However, the study also highlights the limitations of LLM-based QA systems in addressing non-factoid questions, particularly those requiring reasoning or debate. Moreover, verbalizing OIE-generated triples does not enhance system performance. These findings emphasize the potential of context-shortening techniques to improve the efficiency and effectiveness of LLM-based QA systems, especially for low-resource languages. The source code and resources are available at https://github.com/ritwikmishra/IndicGenQA.
comment: Short version of this manuscript accepted at https://bda2025.iiitb.net/
♻ ☆ Safer or Luckier? LLMs as Safety Evaluators Are Not Robust to Artifacts ACL 2025
Large Language Models (LLMs) are increasingly employed as automated evaluators to assess the safety of generated content, yet their reliability in this role remains uncertain. This study evaluates a diverse set of 11 LLM judge models across critical safety domains, examining three key aspects: self-consistency in repeated judging tasks, alignment with human judgments, and susceptibility to input artifacts such as apologetic or verbose phrasing. Our findings reveal that biases in LLM judges can significantly distort the final verdict on which content source is safer, undermining the validity of comparative evaluations. Notably, apologetic language artifacts alone can skew evaluator preferences by up to 98\%. Contrary to expectations, larger models do not consistently exhibit greater robustness, while smaller models sometimes show higher resistance to specific artifacts. To mitigate LLM evaluator robustness issues, we investigate jury-based evaluations aggregating decisions from multiple models. Although this approach both improves robustness and enhances alignment to human judgements, artifact sensitivity persists even with the best jury configurations. These results highlight the urgent need for diversified, artifact-resistant methodologies to ensure reliable safety assessments.
comment: 9 pages, ACL 2025
♻ ☆ The Automated but Risky Game: Modeling Agent-to-Agent Negotiations and Transactions in Consumer Markets
AI agents are increasingly used in consumer-facing applications to assist with tasks such as product search, negotiation, and transaction execution. In this paper, we explore a future scenario where both consumers and merchants authorize AI agents to fully automate negotiations and transactions. We aim to answer two key questions: (1) Do different LLM agents vary in their ability to secure favorable deals for users? (2) What risks arise from fully automating deal-making with AI agents in consumer markets? To address these questions, we develop an experimental framework that evaluates the performance of various LLM agents in real-world negotiation and transaction settings. Our findings reveal that AI-mediated deal-making is an inherently imbalanced game -- different agents achieve significantly different outcomes for their users. Moreover, behavioral anomalies in LLMs can result in financial losses for both consumers and merchants, such as overspending or accepting unreasonable deals. These results underscore that while automation can improve efficiency, it also introduces substantial risks. Users should exercise caution when delegating business decisions to AI agents.
♻ ☆ Large Language Models for Toxic Language Detection in Low-Resource Balkan Languages
Online toxic language causes real harm, especially in regions with limited moderation tools. In this study, we evaluate how large language models handle toxic comments in Serbian, Croatian, and Bosnian, languages with limited labeled data. We built and manually labeled a dataset of 4,500 YouTube and TikTok comments drawn from videos across diverse categories, including music, politics, sports, modeling, influencer content, discussions of sexism, and general topics. Four models (GPT-3.5 Turbo, GPT-4.1, Gemini 1.5 Pro, and Claude 3 Opus) were tested in two modes: zero-shot and context-augmented. We measured precision, recall, F1 score, accuracy and false positive rates. Including a short context snippet raised recall by about 0.12 on average and improved F1 score by up to 0.10, though it sometimes increased false positives. The best balance came from Gemini in context-augmented mode, reaching an F1 score of 0.82 and accuracy of 0.82, while zero-shot GPT-4.1 led on precision and had the lowest false alarms. We show how adding minimal context can improve toxic language detection in low-resource settings and suggest practical strategies such as improved prompt design and threshold calibration. These results show that prompt design alone can yield meaningful gains in toxicity detection for underserved Balkan language communities.
comment: 8 pages
♻ ☆ Word Sense Detection Leveraging Maximum Mean Discrepancy
Word sense analysis is an essential analysis work for interpreting the linguistic and social backgrounds. The word sense change detection is a task of identifying and interpreting shifts in word meanings over time. This paper proposes MMD-Sense-Analysis, a novel approach that leverages Maximum Mean Discrepancy (MMD) to select semantically meaningful variables and quantify changes across time periods. This method enables both the identification of words undergoing sense shifts and the explanation of their evolution over multiple historical periods. To my knowledge, this is the first application of MMD to word sense change detection. Empirical assessment results demonstrate the effectiveness of the proposed approach.
♻ ☆ MEDDxAgent: A Unified Modular Agent Framework for Explainable Automatic Differential Diagnosis ACL 2025
Differential Diagnosis (DDx) is a fundamental yet complex aspect of clinical decision-making, in which physicians iteratively refine a ranked list of possible diseases based on symptoms, antecedents, and medical knowledge. While recent advances in large language models (LLMs) have shown promise in supporting DDx, existing approaches face key limitations, including single-dataset evaluations, isolated optimization of components, unrealistic assumptions about complete patient profiles, and single-attempt diagnosis. We introduce a Modular Explainable DDx Agent (MEDDxAgent) framework designed for interactive DDx, where diagnostic reasoning evolves through iterative learning, rather than assuming a complete patient profile is accessible. MEDDxAgent integrates three modular components: (1) an orchestrator (DDxDriver), (2) a history taking simulator, and (3) two specialized agents for knowledge retrieval and diagnosis strategy. To ensure robust evaluation, we introduce a comprehensive DDx benchmark covering respiratory, skin, and rare diseases. We analyze single-turn diagnostic approaches and demonstrate the importance of iterative refinement when patient profiles are not available at the outset. Our broad evaluation demonstrates that MEDDxAgent achieves over 10% accuracy improvements in interactive DDx across both large and small LLMs, while offering critical explainability into its diagnostic reasoning process.
comment: ACL 2025 (main)
♻ ☆ Women, Infamous, and Exotic Beings: What Honorific Usages in Wikipedia Reflect on the Cross-Cultural Sociolinguistic Norms? ACL 2025
Wikipedia, as a massively multilingual, community-driven platform, is a valuable resource for Natural Language Processing (NLP), yet the consistency of honorific usage in honorific-rich languages remains underexplored. Honorifics, subtle yet profound linguistic markers, encode social hierarchies, politeness norms, and cultural values, but Wikipedia's editorial guidelines lack clear standards for their usage in languages where such forms are grammatically and socially prevalent. This paper addresses this gap through a large-scale analysis of third-person honorific pronouns and verb forms in Hindi and Bengali Wikipedia articles. Using Large Language Models (LLM), we automatically annotate 10,000 articles per language for honorific usage and socio-demographic features such as gender, age, fame, and cultural origin. We investigate: (i) the consistency of honorific usage across articles, (ii) how inconsistencies correlate with socio-cultural factors, and (iii) the presence of explicit or implicit biases across languages. We find that honorific usage is consistently more common in Bengali than Hindi, while non-honorific forms are more frequent for infamous, juvenile, and exotic entities in both. Notably, gender bias emerges in both languages, particularly in Hindi, where men are more likely to receive honorifics than women. Our analysis highlights the need for Wikipedia to develop language-specific editorial guidelines for honorific usage.
comment: Accepted at 2nd WikiNLP: Advancing Natural Language Process for Wikipedia, Co-located with ACL 2025 (non-archival)
♻ ☆ How Much is Enough? The Diminishing Returns of Tokenization Training Data
Tokenization, a crucial initial step in natural language processing, is governed by several key parameters, such as the tokenization algorithm, vocabulary size, pre-tokenization strategy, inference strategy, and training data corpus. This paper investigates the impact of an often-overlooked hyperparameter, tokenizer training data size. We train BPE, UnigramLM, and WordPiece tokenizers across various vocabulary sizes using English training data ranging from 1GB to 900GB. Our findings reveal diminishing returns as training data size increases beyond roughly 150GB, suggesting a practical limit to the improvements in tokenization quality achievable through additional data. We analyze this phenomenon and attribute the saturation effect to constraints introduced by the pre-tokenization stage. We then demonstrate the extent to which these findings can generalize by experimenting on data in Russian, a language typologically distant from English. For Russian text, we observe diminishing returns after training a tokenizer from 200GB of data, which is approximately 33% more than when training on English. These results provide valuable insights for optimizing the tokenization process by reducing the compute required for training on large corpora and suggest promising directions for future research in tokenization algorithms.
♻ ☆ Table-R1: Region-based Reinforcement Learning for Table Understanding
Tables present unique challenges for language models due to their structured row-column interactions, necessitating specialized approaches for effective comprehension. While large language models (LLMs) have demonstrated potential in table reasoning through prompting and techniques like chain-of-thought (CoT) and program-of-thought (PoT), optimizing their performance for table question answering remains underexplored. In this paper, we introduce region-based Table-R1, a novel reinforcement learning approach that enhances LLM table understanding by integrating region evidence into reasoning steps. Our method employs Region-Enhanced Supervised Fine-Tuning (RE-SFT) to guide models in identifying relevant table regions before generating answers, incorporating textual, symbolic, and program-based reasoning. Additionally, Table-Aware Group Relative Policy Optimization (TARPO) introduces a mixed reward system to dynamically balance region accuracy and answer correctness, with decaying region rewards and consistency penalties to align reasoning steps. Experiments show that Table-R1 achieves an average performance improvement of 14.36 points across multiple base models on three benchmark datasets, even outperforming baseline models with ten times the parameters, while TARPO reduces response token consumption by 67.5% compared to GRPO, significantly advancing LLM capabilities in efficient tabular reasoning.
♻ ☆ Entropy Controllable Direct Preference Optimization ICML 2025
In the post-training of large language models (LLMs), Reinforcement Learning from Human Feedback (RLHF) is an effective approach to achieve generation aligned with human preferences. Direct Preference Optimization (DPO) allows for policy training with a simple binary cross-entropy loss without a reward model. The objective of DPO is regularized by reverse KL divergence that encourages mode-seeking fitting to the reference policy. Nonetheless, we indicate that minimizing reverse KL divergence could fail to capture a mode of the reference distribution, which may hurt the policy's performance. Based on this observation, we propose a simple modification to DPO, H-DPO, which allows for control over the entropy of the resulting policy, enhancing the distribution's sharpness and thereby enabling mode-seeking fitting more effectively. In our experiments, we show that H-DPO outperformed DPO across various tasks, demonstrating superior results in pass@$k$ evaluations for mathematical tasks. Moreover, H-DPO is simple to implement, requiring only minor modifications to the loss calculation of DPO, which makes it highly practical and promising for wide-ranging applications in the training of LLMs.
comment: ICML 2025 Workshop on Models of Human Feedback for AI Alignment
♻ ☆ VM14K: First Vietnamese Medical Benchmark
Medical benchmarks are indispensable for evaluating the capabilities of language models in healthcare for non-English-speaking communities,therefore help ensuring the quality of real-life applications. However, not every community has sufficient resources and standardized methods to effectively build and design such benchmark, and available non-English medical data is normally fragmented and difficult to verify. We developed an approach to tackle this problem and applied it to create the first Vietnamese medical question benchmark, featuring 14,000 multiple-choice questions across 34 medical specialties. Our benchmark was constructed using various verifiable sources, including carefully curated medical exams and clinical records, and eventually annotated by medical experts. The benchmark includes four difficulty levels, ranging from foundational biological knowledge commonly found in textbooks to typical clinical case studies that require advanced reasoning. This design enables assessment of both the breadth and depth of language models' medical understanding in the target language thanks to its extensive coverage and in-depth subject-specific expertise. We release the benchmark in three parts: a sample public set (4k questions), a full public set (10k questions), and a private set (2k questions) used for leaderboard evaluation. Each set contains all medical subfields and difficulty levels. Our approach is scalable to other languages, and we open-source our data construction pipeline to support the development of future multilingual benchmarks in the medical domain.
♻ ☆ Persistent Topological Features in Large Language Models ICML 2025
Understanding the decision-making processes of large language models is critical given their widespread applications. To achieve this, we aim to connect a formal mathematical framework - zigzag persistence from topological data analysis - with practical and easily applicable algorithms. Zigzag persistence is particularly effective for characterizing data as it dynamically transforms across model layers. Within this framework, we introduce topological descriptors that measure how topological features, $p$-dimensional holes, persist and evolve throughout the layers. Unlike methods that assess each layer individually and then aggregate the results, our approach directly tracks the full evolutionary path of these features. This offers a statistical perspective on how prompts are rearranged and their relative positions changed in the representation space, providing insights into the system's operation as an integrated whole. To demonstrate the expressivity and applicability of our framework, we highlight how sensitive these descriptors are to different models and a variety of datasets. As a showcase application to a downstream task, we use zigzag persistence to establish a criterion for layer pruning, achieving results comparable to state-of-the-art methods while preserving the system-level perspective.
comment: 10+17 pages, 17 figures, 3 tables. Accepted as poster at ICML 2025
♻ ☆ Vision-Language Models for Edge Networks: A Comprehensive Survey
Vision Large Language Models (VLMs) combine visual understanding with natural language processing, enabling tasks like image captioning, visual question answering, and video analysis. While VLMs show impressive capabilities across domains such as autonomous vehicles, smart surveillance, and healthcare, their deployment on resource-constrained edge devices remains challenging due to processing power, memory, and energy limitations. This survey explores recent advancements in optimizing VLMs for edge environments, focusing on model compression techniques, including pruning, quantization, knowledge distillation, and specialized hardware solutions that enhance efficiency. We provide a detailed discussion of efficient training and fine-tuning methods, edge deployment challenges, and privacy considerations. Additionally, we discuss the diverse applications of lightweight VLMs across healthcare, environmental monitoring, and autonomous systems, illustrating their growing impact. By highlighting key design strategies, current challenges, and offering recommendations for future directions, this survey aims to inspire further research into the practical deployment of VLMs, ultimately making advanced AI accessible in resource-limited settings.
♻ ☆ LLaVA-CMoE: Towards Continual Mixture of Experts for Large Vision-Language Models
Mixture of Experts (MoE) architectures have recently advanced the scalability and adaptability of large language models (LLMs) for continual multimodal learning. However, efficiently extending these models to accommodate sequential tasks remains challenging. As new tasks arrive, naive model expansion leads to rapid parameter growth, while modifying shared routing components often causes catastrophic forgetting, undermining previously learned knowledge. To address these issues, we propose LLaVA-CMoE, a continual learning framework for LLMs that requires no replay data of previous tasks and ensures both parameter efficiency and robust knowledge retention. Our approach introduces a Probe-Guided Knowledge Extension mechanism, which uses probe experts to dynamically determine when and where new experts should be added, enabling adaptive and minimal parameter expansion tailored to task complexity. Furthermore, we present a Probabilistic Task Locator that assigns each task a dedicated, lightweight router. To handle the practical issue that task labels are unknown during inference, we leverage a VAE-based reconstruction strategy to identify the most suitable router by matching input distributions, allowing automatic and accurate expert allocation. This design mitigates routing conflicts and catastrophic forgetting, enabling robust continual learning without explicit task labels. Extensive experiments on the CoIN benchmark, covering eight diverse VQA tasks, demonstrate that LLaVA-CMoE delivers strong continual learning performance with a compact model size, significantly reducing forgetting and parameter overhead compared to prior methods. These results showcase the effectiveness and scalability of our approach for parameter-efficient continual learning in large language models. Our code will be open-sourced soon.
comment: Preprint
♻ ☆ Can reasoning models comprehend mathematical problems in Chinese ancient texts? An empirical study based on data from Suanjing Shishu
This study addresses the challenges in intelligent processing of Chinese ancient mathematical classics by constructing Guji_MATH, a benchmark for evaluating classical texts based on Suanjing Shishu. It systematically assesses the mathematical problem-solving capabilities of mainstream reasoning models under the unique linguistic constraints of classical Chinese. Through machine-assisted annotation and manual verification, 538 mathematical problems were extracted from 8 canonical texts, forming a structured dataset centered on the "Question-Answer-Solution" framework, supplemented by problem types and difficulty levels. Dual evaluation modes--closed-book (autonomous problem-solving) and open-book (reproducing classical solution methods)--were designed to evaluate the performance of six reasoning models on ancient Chinese mathematical problems. Results indicate that reasoning models can partially comprehend and solve these problems, yet their overall performance remains inferior to benchmarks on modern mathematical tasks. Enhancing models' classical Chinese comprehension and cultural knowledge should be prioritized for optimization. This study provides methodological support for mining mathematical knowledge from ancient texts and disseminating traditional culture, while offering new perspectives for evaluating cross-linguistic and cross-cultural capabilities of reasoning models.
comment: 29pages, 7 figures
♻ ☆ Step-Audio-AQAA: a Fully End-to-End Expressive Large Audio Language Model
Large Audio-Language Models (LALMs) have significantly advanced intelligent human-computer interaction, yet their reliance on text-based outputs limits their ability to generate natural speech responses directly, hindering seamless audio interactions. To address this, we introduce Step-Audio-AQAA, a fully end-to-end LALM designed for Audio Query-Audio Answer (AQAA) tasks. The model integrates a dual-codebook audio tokenizer for linguistic and semantic feature extraction, a 130-billion-parameter backbone LLM and a neural vocoder for high-fidelity speech synthesis. Our post-training approach employs interleaved token-output of text and audio to enhance semantic coherence and combines Direct Preference Optimization (DPO) with model merge to improve performance. Evaluations on the StepEval-Audio-360 benchmark demonstrate that Step-Audio-AQAA excels especially in speech control, outperforming the state-of-art LALMs in key areas. This work contributes a promising solution for end-to-end LALMs and highlights the critical role of token-based vocoder in enhancing overall performance for AQAA tasks.
comment: 12 pages, 3 figures
♻ ☆ JBBQ: Japanese Bias Benchmark for Analyzing Social Biases in Large Language Models ACL2025
With the development of large language models (LLMs), social biases in these LLMs have become a pressing issue. Although there are various benchmarks for social biases across languages, the extent to which Japanese LLMs exhibit social biases has not been fully investigated. In this study, we construct the Japanese Bias Benchmark dataset for Question Answering (JBBQ) based on the English bias benchmark BBQ, with analysis of social biases in Japanese LLMs. The results show that while current open Japanese LLMs with more parameters show improved accuracies on JBBQ, their bias scores increase. In addition, prompts with a warning about social biases and chain-of-thought prompting reduce the effect of biases in model outputs, but there is room for improvement in extracting the correct evidence from contexts in Japanese. Our dataset is available at https://github.com/ynklab/JBBQ_data.
comment: Accepted to the 6th Workshop on Gender Bias in Natural Language Processing (GeBNLP2025) at ACL2025
♻ ☆ Towards Understanding Fine-Tuning Mechanisms of LLMs via Circuit Analysis
Fine-tuning significantly improves the performance of Large Language Models (LLMs), yet its underlying mechanisms remain poorly understood. This paper aims to provide an in-depth interpretation of the fine-tuning process through circuit analysis, a popular tool in Mechanistic Interpretability (MI). Unlike previous studies (Prakash et al. 2024; Chhabra et al. 2024) that focus on tasks where pre-trained models already perform well, we develop a set of mathematical tasks where fine-tuning yields substantial performance gains, which are closer to the practical setting. In our experiments, we identify circuits at various checkpoints during fine-tuning and examine the interplay between circuit analysis, fine-tuning methods, and task complexities. First, we find that while circuits maintain high node similarity before and after fine-tuning, their edges undergo significant changes, in contrast to prior work that shows circuits only add some additional components after fine-tuning. Based on these observations, we develop a circuit-aware Low-Rank Adaptation (LoRA) method, which assigns ranks to layers based on edge changes in the circuits. Experimental results demonstrate that our circuit-based LoRA algorithm achieves an average performance improvement of 2.46% over standard LoRA with similar parameter sizes. Furthermore, we explore how combining circuits from subtasks can enhance fine-tuning in compositional tasks, providing new insights into the design of such tasks and deepening the understanding of circuit dynamics and fine-tuning mechanisms.
comment: 25 pages
♻ ☆ An overview of domain-specific foundation model: key technologies, applications and challenges
The impressive performance of ChatGPT and other foundation-model-based products in human language understanding has prompted both academia and industry to explore how these models can be tailored for specific industries and application scenarios. This process, known as the customization of domain-specific foundation models (FMs), addresses the limitations of general-purpose models, which may not fully capture the unique patterns and requirements of domain-specific data. Despite its importance, there is a notable lack of comprehensive overview papers on building domain-specific FMs, while numerous resources exist for general-purpose models. To bridge this gap, this article provides a timely and thorough overview of the methodology for customizing domain-specific FMs. It introduces basic concepts, outlines the general architecture, and surveys key methods for constructing domain-specific models. Furthermore, the article discusses various domains that can benefit from these specialized models and highlights the challenges ahead. Through this overview, we aim to offer valuable guidance and reference for researchers and practitioners from diverse fields to develop their own customized FMs.
♻ ☆ Automatic Construction of Multiple Classification Dimensions for Managing Approaches in Scientific Papers
Approaches form the foundation for conducting scientific research. Querying approaches from a vast body of scientific papers is extremely time-consuming, and without a well-organized management framework, researchers may face significant challenges in querying and utilizing relevant approaches. Constructing multiple dimensions on approaches and managing them from these dimensions can provide an efficient solution. Firstly, this paper identifies approach patterns using a top-down way, refining the patterns through four distinct linguistic levels: semantic level, discourse level, syntactic level, and lexical level. Approaches in scientific papers are extracted based on approach patterns. Additionally, five dimensions for categorizing approaches are identified using these patterns. This paper proposes using tree structure to represent step and measuring the similarity between different steps with a tree-structure-based similarity measure that focuses on syntactic-level similarities. A collection similarity measure is proposed to compute the similarity between approaches. A bottom-up clustering algorithm is proposed to construct class trees for approach components within each dimension by merging each approach component or class with its most similar approach component or class in each iteration. The class labels generated during the clustering process indicate the common semantics of the step components within the approach components in each class and are used to manage the approaches within the class. The class trees of the five dimensions collectively form a multi-dimensional approach space. The application of approach queries on the multi-dimensional approach space demonstrates that querying within this space ensures strong relevance between user queries and results and rapidly reduces search space through a class-based query mechanism.
comment: 26 pages, 9 figures
♻ ☆ Understanding the Repeat Curse in Large Language Models from a Feature Perspective ACL 2025
Large language models (LLMs) have made remarkable progress in various domains, yet they often suffer from repetitive text generation, a phenomenon we refer to as the "Repeat Curse". While previous studies have proposed decoding strategies to mitigate repetition, the underlying mechanism behind this issue remains insufficiently explored. In this work, we investigate the root causes of repetition in LLMs through the lens of mechanistic interpretability. Inspired by recent advances in Sparse Autoencoders (SAEs), which enable monosemantic feature extraction, we propose a novel approach, "Duplicatus Charm", to induce and analyze the Repeat Curse. Our method systematically identifies "Repetition Features" -the key model activations responsible for generating repetitive outputs. First, we locate the layers most involved in repetition through logit analysis. Next, we extract and stimulate relevant features using SAE-based activation manipulation. To validate our approach, we construct a repetition dataset covering token and paragraph level repetitions and introduce an evaluation pipeline to quantify the influence of identified repetition features. Furthermore, by deactivating these features, we have effectively mitigated the Repeat Curse. The source code of our work is publicly available at: https://github.com/kaustpradalab/repeat-curse-llm
comment: Accepted by ACL 2025, Findings, Long Paper
♻ ☆ FlashBack:Efficient Retrieval-Augmented Language Modeling for Long Context Inference ACL 2025
Retrieval-Augmented Language Modeling (RALM) by integrating large language models (LLM) with relevant documents from an external corpus is a proven method for enabling the LLM to generate information beyond the scope of its pre-training corpus. Previous work utilizing retrieved content by simply prepending it to the input poses a high runtime issue, which degrades the inference efficiency of the LLMs because they fail to use the Key-Value (KV) cache efficiently. In this paper, we propose FlashBack, a modular RALM designed to improve the inference efficiency of RALM with appending context pattern while maintaining decent performance after fine-tuning by Low-Rank Adaption. FlashBack appends retrieved documents at the end of the context for efficiently utilizing the KV cache instead of prepending them. And we introduce Marking Token as two special prompt tokens for marking the boundary of the appending context during fine-tuning. Our experiments on testing generation quality show that FlashBack can remain decent generation quality in perplexity. And the inference speed of FlashBack is up to $4\times$ faster than the prepending counterpart on a 7B LLM (Llama 2) in the runtime test. Via bypassing unnecessary re-computation, it demonstrates an advancement by achieving significantly faster inference speed, and this heightened efficiency will substantially reduce inferential cost.
comment: ACL 2025 Findings, 14 pages
♻ ☆ Evaluating Implicit Bias in Large Language Models by Attacking From a Psychometric Perspective ACL 2025
As large language models (LLMs) become an important way of information access, there have been increasing concerns that LLMs may intensify the spread of unethical content, including implicit bias that hurts certain populations without explicit harmful words. In this paper, we conduct a rigorous evaluation of LLMs' implicit bias towards certain demographics by attacking them from a psychometric perspective to elicit agreements to biased viewpoints. Inspired by psychometric principles in cognitive and social psychology, we propose three attack approaches, i.e., Disguise, Deception, and Teaching. Incorporating the corresponding attack instructions, we built two benchmarks: (1) a bilingual dataset with biased statements covering four bias types (2.7K instances) for extensive comparative analysis, and (2) BUMBLE, a larger benchmark spanning nine common bias types (12.7K instances) for comprehensive evaluation. Extensive evaluation of popular commercial and open-source LLMs shows that our methods can elicit LLMs' inner bias more effectively than competitive baselines. Our attack methodology and benchmarks offer an effective means of assessing the ethical risks of LLMs, driving progress toward greater accountability in their development. Our code, data, and benchmarks are available at https://yuchenwen1.github.io/ImplicitBiasEvaluation/.
comment: Accepted to ACL 2025 Findings
♻ ☆ TrajAgent: An LLM-based Agent Framework for Automated Trajectory Modeling via Collaboration of Large and Small Models
Trajectory modeling, which includes research on trajectory data pattern mining and future prediction, has widespread applications in areas such as life services, urban transportation, and public administration. Numerous methods have been proposed to address specific problems within trajectory modeling. However, the heterogeneity of data and the diversity of trajectory tasks make effective and reliable trajectory modeling an important yet highly challenging endeavor, even for domain experts. In this paper, we propose \textit{TrajAgent}, a agent framework powered by large language models (LLMs), designed to facilitate robust and efficient trajectory modeling through automation modeling. This framework leverages and optimizes diverse specialized models to address various trajectory modeling tasks across different datasets effectively. In \textit{TrajAgent}, we first develop \textit{UniEnv}, an execution environment with a unified data and model interface, to support the execution and training of various models. Building on \textit{UniEnv}, we introduce an agentic workflow designed for automatic trajectory modeling across various trajectory tasks and data. Furthermore, we introduce collaborative learning schema between LLM-based agents and small speciallized models, to enhance the performance of the whole framework effectively. Extensive experiments on four tasks using four real-world datasets demonstrate the effectiveness of \textit{TrajAgent} in automated trajectory modeling, achieving a performance improvement of 2.38\%-34.96\% over baseline methods.
comment: the code will be openly accessible at: https://github.com/tsinghua-fib-lab/TrajAgent
♻ ☆ LLMEval-Med: A Real-world Clinical Benchmark for Medical LLMs with Physician Validation
Evaluating large language models (LLMs) in medicine is crucial because medical applications require high accuracy with little room for error. Current medical benchmarks have three main types: medical exam-based, comprehensive medical, and specialized assessments. However, these benchmarks have limitations in question design (mostly multiple-choice), data sources (often not derived from real clinical scenarios), and evaluation methods (poor assessment of complex reasoning). To address these issues, we present LLMEval-Med, a new benchmark covering five core medical areas, including 2,996 questions created from real-world electronic health records and expert-designed clinical scenarios. We also design an automated evaluation pipeline, incorporating expert-developed checklists into our LLM-as-Judge framework. Furthermore, our methodology validates machine scoring through human-machine agreement analysis, dynamically refining checklists and prompts based on expert feedback to ensure reliability. We evaluate 13 LLMs across three categories (specialized medical models, open-source models, and closed-source models) on LLMEval-Med, providing valuable insights for the safe and effective deployment of LLMs in medical domains. The dataset is released in https://github.com/llmeval/LLMEval-Med.
♻ ☆ PFDial: A Structured Dialogue Instruction Fine-tuning Method Based on UML Flowcharts
Process-driven dialogue systems, which operate under strict predefined process constraints, are essential in customer service and equipment maintenance scenarios. Although Large Language Models (LLMs) have shown remarkable progress in dialogue and reasoning, they still struggle to solve these strictly constrained dialogue tasks. To address this challenge, we construct Process Flow Dialogue (PFDial) dataset, which contains 12,705 high-quality Chinese dialogue instructions derived from 440 flowcharts containing 5,055 process nodes. Based on PlantUML specification, each UML flowchart is converted into atomic dialogue units i.e., structured five-tuples. Experimental results demonstrate that a 7B model trained with merely 800 samples, and a 0.5B model trained on total data both can surpass 90% accuracy. Additionally, the 8B model can surpass GPT-4o up to 43.88% with an average of 11.00%. We further evaluate models' performance on challenging backward transitions in process flows and conduct an in-depth analysis of various dataset formats to reveal their impact on model performance in handling decision and sequential branches. The data is released in https://github.com/KongLongGeFDU/PFDial.
♻ ☆ TUMLU: A Unified and Native Language Understanding Benchmark for Turkic Languages ACL 2025
Being able to thoroughly assess massive multi-task language understanding (MMLU) capabilities is essential for advancing the applicability of multilingual language models. However, preparing such benchmarks in high quality native language is often costly and therefore limits the representativeness of evaluation datasets. While recent efforts focused on building more inclusive MMLU benchmarks, these are conventionally built using machine translation from high-resource languages, which may introduce errors and fail to account for the linguistic and cultural intricacies of the target languages. In this paper, we address the lack of native language MMLU benchmark especially in the under-represented Turkic language family with distinct morphosyntactic and cultural characteristics. We propose two benchmarks for Turkic language MMLU: TUMLU is a comprehensive, multilingual, and natively developed language understanding benchmark specifically designed for Turkic languages. It consists of middle- and high-school level questions spanning 11 academic subjects in Azerbaijani, Crimean Tatar, Karakalpak, Kazakh, Tatar, Turkish, Uyghur, and Uzbek. We also present TUMLU-mini, a more concise, balanced, and manually verified subset of the dataset. Using this dataset, we systematically evaluate a diverse range of open and proprietary multilingual large language models (LLMs), including Claude, Gemini, GPT, and LLaMA, offering an in-depth analysis of their performance across different languages, subjects, and alphabets. To promote further research and development in multilingual language understanding, we release TUMLU-mini and all corresponding evaluation scripts.
comment: Accepted to ACL 2025, Main Conference
♻ ☆ MapQaTor: An Extensible Framework for Efficient Annotation of Map-Based QA Datasets ACL 2025
Mapping and navigation services like Google Maps, Apple Maps, OpenStreetMap, are essential for accessing various location-based data, yet they often struggle to handle natural language geospatial queries. Recent advancements in Large Language Models (LLMs) show promise in question answering (QA), but creating reliable geospatial QA datasets from map services remains challenging. We introduce MapQaTor, an extensible open-source framework that streamlines the creation of reproducible, traceable map-based QA datasets. MapQaTor enables seamless integration with any maps API, allowing users to gather and visualize data from diverse sources with minimal setup. By caching API responses, the platform ensures consistent ground truth, enhancing the reliability of the data even as real-world information evolves. MapQaTor centralizes data retrieval, annotation, and visualization within a single platform, offering a unique opportunity to evaluate the current state of LLM-based geospatial reasoning while advancing their capabilities for improved geospatial understanding. Evaluation metrics show that, MapQaTor speeds up the annotation process by at least 30 times compared to manual methods, underscoring its potential for developing geospatial resources, such as complex map reasoning datasets. The website is live at: https://mapqator.github.io/ and a demo video is available at: https://youtu.be/bVv7-NYRsTw.
comment: ACL 2025 (Demo)
♻ ☆ BitNet v2: Native 4-bit Activations with Hadamard Transformation for 1-bit LLMs
Efficient deployment of 1-bit Large Language Models (LLMs) is hindered by activation outliers, which complicate quantization to low bit-widths. We introduce BitNet v2, a novel framework enabling native 4-bit activation quantization for 1-bit LLMs. To tackle outliers in attention and feed-forward network activations, we propose H-BitLinear, a module applying an online Hadamard transformation prior to activation quantization. This transformation smooths sharp activation distributions into more Gaussian-like forms, suitable for low-bit representation. Experiments show BitNet v2 trained from scratch with 8-bit activations matches BitNet b1.58 performance. Crucially, BitNet v2 achieves minimal performance degradation when trained with native 4-bit activations, significantly reducing memory footprint and computational cost for batched inference.
comment: Work in progress
♻ ☆ Does Thinking More always Help? Understanding Test-Time Scaling in Reasoning Models
Recent trends in test-time scaling for reasoning models (e.g., OpenAI o1, DeepSeek R1) have led to a popular belief that extending thinking traces using prompts like "Wait" or "Let me rethink" can improve performance. This raises a natural question: Does thinking more at test-time truly lead to better reasoning? To answer this question, we perform a detailed empirical study across models and benchmarks, which reveals a consistent pattern of initial performance improvements from additional thinking followed by a decline, due to "overthinking". To understand this non-monotonic trend, we consider a simple probabilistic model, which reveals that additional thinking increases output variance-creating an illusion of improved reasoning while ultimately undermining precision. Thus, observed gains from "more thinking" are not true indicators of improved reasoning, but artifacts stemming from the connection between model uncertainty and evaluation metric. This suggests that test-time scaling through extended thinking is not an effective way to utilize the inference thinking budget. Recognizing these limitations, we introduce an alternative test-time scaling approach, parallel thinking, inspired by Best-of-N sampling. Our method generates multiple independent reasoning paths within the same inference budget and selects the most consistent response via majority vote, achieving up to 20% higher accuracy compared to extended thinking. This provides a simple yet effective mechanism for test-time scaling of reasoning models.
♻ ☆ Conformal Linguistic Calibration: Trading-off between Factuality and Specificity
Language model outputs are not always reliable, thus prompting research into how to adapt model responses based on uncertainty. Common approaches include: \emph{abstention}, where models refrain from generating responses when uncertain; and \emph{linguistic calibration}, where models hedge their statements using uncertainty quantifiers. However, abstention can withhold valuable information, while linguistically calibrated responses are often challenging to leverage in downstream tasks. We propose a unified view, Conformal Linguistic Calibration (CLC), which reinterprets linguistic calibration as \emph{answer set prediction}. First we present a framework connecting abstention and linguistic calibration through the lens of linguistic pragmatics. We then describe an implementation of CLC that allows for controlling the level of imprecision in model responses. Results demonstrate our method produces calibrated outputs with conformal guarantees on factual accuracy. Further, our approach enables fine-tuning models to perform uncertainty-aware adaptive claim rewriting, offering a controllable balance between factuality and specificity.
♻ ☆ MMMG: A Massive, Multidisciplinary, Multi-Tier Generation Benchmark for Text-to-Image Reasoning
In this paper, we introduce knowledge image generation as a new task, alongside the Massive Multi-Discipline Multi-Tier Knowledge-Image Generation Benchmark (MMMG) to probe the reasoning capability of image generation models. Knowledge images have been central to human civilization and to the mechanisms of human learning -- a fact underscored by dual-coding theory and the picture-superiority effect. Generating such images is challenging, demanding multimodal reasoning that fuses world knowledge with pixel-level grounding into clear explanatory visuals. To enable comprehensive evaluation, MMMG offers 4,456 expert-validated (knowledge) image-prompt pairs spanning 10 disciplines, 6 educational levels, and diverse knowledge formats such as charts, diagrams, and mind maps. To eliminate confounding complexity during evaluation, we adopt a unified Knowledge Graph (KG) representation. Each KG explicitly delineates a target image's core entities and their dependencies. We further introduce MMMG-Score to evaluate generated knowledge images. This metric combines factual fidelity, measured by graph-edit distance between KGs, with visual clarity assessment. Comprehensive evaluations of 16 state-of-the-art text-to-image generation models expose serious reasoning deficits -- low entity fidelity, weak relations, and clutter -- with GPT-4o achieving an MMMG-Score of only 50.20, underscoring the benchmark's difficulty. To spur further progress, we release FLUX-Reason (MMMG-Score of 34.45), an effective and open baseline that combines a reasoning LLM with diffusion models and is trained on 16,000 curated knowledge image-prompt pairs.
comment: 85 pages, 70 figures, code: https://github.com/MMMGBench/MMMG, project page: https://mmmgbench.github.io/
♻ ☆ Jointly modelling the evolution of social structure and language in online communities
Group interactions take place within a particular socio-temporal context, which should be taken into account when modelling interactions in online communities. We propose a method for jointly modelling community structure and language over time. Our system produces dynamic word and user representations that can be used to cluster users, investigate thematic interests of groups, and predict group membership. We apply and evaluate our method in the context of a set of misogynistic extremist groups. Our results indicate that this approach outperforms prior models which lacked one of these components (i.e. not incorporating social structure, or using static word embeddings) when evaluated on clustering and embedding prediction tasks. Our method further enables novel types of analyses on online groups, including tracing their response to temporal events and quantifying their propensity for using violent language, which is of particular importance in the context of extremist groups.
♻ ☆ Lingshu: A Generalist Foundation Model for Unified Multimodal Medical Understanding and Reasoning
Multimodal Large Language Models (MLLMs) have demonstrated impressive capabilities in understanding common visual elements, largely due to their large-scale datasets and advanced training strategies. However, their effectiveness in medical applications remains limited due to the inherent discrepancies between data and tasks in medical scenarios and those in the general domain. Concretely, existing medical MLLMs face the following critical limitations: (1) limited coverage of medical knowledge beyond imaging, (2) heightened susceptibility to hallucinations due to suboptimal data curation processes, (3) lack of reasoning capabilities tailored for complex medical scenarios. To address these challenges, we first propose a comprehensive data curation procedure that (1) efficiently acquires rich medical knowledge data not only from medical imaging but also from extensive medical texts and general-domain data; and (2) synthesizes accurate medical captions, visual question answering (VQA), and reasoning samples. As a result, we build a multimodal dataset enriched with extensive medical knowledge. Building on the curated data, we introduce our medical-specialized MLLM: Lingshu. Lingshu undergoes multi-stage training to embed medical expertise and enhance its task-solving capabilities progressively. Besides, we preliminarily explore the potential of applying reinforcement learning with verifiable rewards paradigm to enhance Lingshu's medical reasoning ability. Additionally, we develop MedEvalKit, a unified evaluation framework that consolidates leading multimodal and textual medical benchmarks for standardized, fair, and efficient model assessment. We evaluate the performance of Lingshu on three fundamental medical tasks, multimodal QA, text-based QA, and medical report generation. The results show that Lingshu consistently outperforms the existing open-source multimodal models on most tasks ...
comment: Technical Report, 53 pages, 25 tables, and 16 figures. Our webpage is https://alibaba-damo-academy.github.io/lingshu/
♻ ☆ Towards Efficient Speech-Text Jointly Decoding within One Speech Language Model
Speech language models (Speech LMs) enable end-to-end speech-text modelling within a single model, offering a promising direction for spoken dialogue systems. The choice of speech-text jointly decoding paradigm plays a critical role in performance, efficiency, and alignment quality. In this work, we systematically compare representative joint speech-text decoding strategies-including the interleaved, and parallel generation paradigms-under a controlled experimental setup using the same base language model, speech tokenizer and training data. Our results show that the interleaved approach achieves the best alignment. However it suffers from slow inference due to long token sequence length. To address this, we propose a novel early-stop interleaved (ESI) pattern that not only significantly accelerates decoding but also yields slightly better performance. Additionally, we curate high-quality question answering (QA) datasets to further improve speech QA performance.
comment: Our company need to do internal review
♻ ☆ Transferable Post-training via Inverse Value Learning NAACL 2025
As post-training processes utilize increasingly large datasets and base models continue to grow in size, the computational demands and implementation challenges of existing algorithms are escalating significantly. In this paper, we propose modeling the changes at the logits level during post-training using a separate neural network (i.e., the value network). After training this network on a small base model using demonstrations, this network can be seamlessly integrated with other pre-trained models during inference, enables them to achieve similar capability enhancements. We systematically investigate the best practices for this paradigm in terms of pre-training weights and connection schemes. We demonstrate that the resulting value network has broad transferability across pre-trained models of different parameter sizes within the same family, models undergoing continuous pre-training within the same family, and models with different vocabularies across families. In certain cases, it can achieve performance comparable to full-parameter fine-tuning. Furthermore, we explore methods to enhance the transferability of the value model and prevent overfitting to the base model used during training.
comment: NAACL 2025 Camera Ready
♻ ☆ Improving the Calibration of Confidence Scores in Text Generation Using the Output Distribution's Characteristics ACL 2025
Well-calibrated model confidence scores can improve the usefulness of text generation models. For example, users can be prompted to review predictions with low confidence scores, to prevent models from returning bad or potentially dangerous predictions. However, confidence metrics are not always well calibrated in text generation. One reason is that in generation, there can be many valid answers, which previous methods do not always account for. Hence, a confident model could distribute its output probability among multiple sequences because they are all valid. We propose task-agnostic confidence metrics suited to generation, which rely solely on the probabilities associated with the model outputs without the need for further fine-tuning or heuristics. Using these, we are able to improve the calibration of BART and Flan-T5 on summarization, translation, and QA datasets.
comment: ACL 2025 Main Conference
♻ ☆ MAGPIE: Multi-Task Media-Bias Analysis Generalization for Pre-Trained Identification of Expressions
Media bias detection poses a complex, multifaceted problem traditionally tackled using single-task models and small in-domain datasets, consequently lacking generalizability. To address this, we introduce MAGPIE, the first large-scale multi-task pre-training approach explicitly tailored for media bias detection. To enable pre-training at scale, we present Large Bias Mixture (LBM), a compilation of 59 bias-related tasks. MAGPIE outperforms previous approaches in media bias detection on the Bias Annotation By Experts (BABE) dataset, with a relative improvement of 3.3% F1-score. MAGPIE also performs better than previous models on 5 out of 8 tasks in the Media Bias Identification Benchmark (MBIB). Using a RoBERTa encoder, MAGPIE needs only 15% of finetuning steps compared to single-task approaches. Our evaluation shows, for instance, that tasks like sentiment and emotionality boost all learning, all tasks enhance fake news detection, and scaling tasks leads to the best results. MAGPIE confirms that MTL is a promising approach for addressing media bias detection, enhancing the accuracy and efficiency of existing models. Furthermore, LBM is the first available resource collection focused on media bias MTL.
♻ ☆ Deep Sparse Latent Feature Models for Knowledge Graph Completion
Recent advances in knowledge graph completion (KGC) have emphasized text-based approaches to navigate the inherent complexities of large-scale knowledge graphs (KGs). While these methods have achieved notable progress, they frequently struggle to fully incorporate the global structural properties of the graph. Stochastic blockmodels (SBMs), especially the latent feature relational model (LFRM), offer robust probabilistic frameworks for identifying latent community structures and improving link prediction. This paper presents a novel probabilistic KGC framework utilizing sparse latent feature models, optimized via a deep variational autoencoder (VAE). Our proposed method dynamically integrates global clustering information with local textual features to effectively complete missing triples, while also providing enhanced interpretability of the underlying latent structures. Extensive experiments on four benchmark datasets with varying scales demonstrate the significant performance gains achieved by our method.
♻ ☆ RSCF: Relation-Semantics Consistent Filter for Entity Embedding of Knowledge Graph ACL 2025
In knowledge graph embedding, leveraging relation specific entity transformation has markedly enhanced performance. However, the consistency of embedding differences before and after transformation remains unaddressed, risking the loss of valuable inductive bias inherent in the embeddings. This inconsistency stems from two problems. First, transformation representations are specified for relations in a disconnected manner, allowing dissimilar transformations and corresponding entity embeddings for similar relations. Second, a generalized plug-in approach as a SFBR (Semantic Filter Based on Relations) disrupts this consistency through excessive concentration of entity embeddings under entity-based regularization, generating indistinguishable score distributions among relations. In this paper, we introduce a plug-in KGE method, Relation-Semantics Consistent Filter (RSCF). Its entity transformation has three features for enhancing semantic consistency: 1) shared affine transformation of relation embeddings across all relations, 2) rooted entity transformation that adds an entity embedding to its change represented by the transformed vector, and 3) normalization of the change to prevent scale reduction. To amplify the advantages of consistency that preserve semantics on embeddings, RSCF adds relation transformation and prediction modules for enhancing the semantics. In knowledge graph completion tasks with distance-based and tensor decomposition models, RSCF significantly outperforms state-of-the-art KGE methods, showing robustness across all relations and their frequencies.
comment: Accepted to ACL 2025, 17 pages, 10 figures
♻ ☆ Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning
Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level scientific benchmarks, scientific Multimodal Large Language Models (MLLMs) hold the potential to significantly enhance this discovery process in realistic workflows. However, current scientific benchmarks mostly focus on evaluating the knowledge understanding capabilities of MLLMs, leading to an inadequate assessment of their perception and reasoning abilities. To address this gap, we present the Scientists' First Exam (SFE) benchmark, designed to evaluate the scientific cognitive capacities of MLLMs through three interconnected levels: scientific signal perception, scientific attribute understanding, scientific comparative reasoning. Specifically, SFE comprises 830 expert-verified VQA pairs across three question types, spanning 66 multimodal tasks across five high-value disciplines. Extensive experiments reveal that current state-of-the-art GPT-o3 and InternVL-3 achieve only 34.08% and 26.52% on SFE, highlighting significant room for MLLMs to improve in scientific realms. We hope the insights obtained in SFE will facilitate further developments in AI-enhanced scientific discoveries.
comment: 82 pages
♻ ☆ Accelerating Diffusion Large Language Models with SlowFast Sampling: The Three Golden Principles
Diffusion-based language models (dLLMs) have emerged as a promising alternative to traditional autoregressive LLMs by enabling parallel token generation and significantly reducing inference latency. However, existing sampling strategies for dLLMs, such as confidence-based or semi-autoregressive decoding, often suffer from static behavior, leading to suboptimal efficiency and limited flexibility. In this paper, we propose SlowFast Sampling, a novel dynamic sampling strategy that adaptively alternates between exploratory and accelerated decoding stages. Our method is guided by three golden principles: certainty principle, convergence principle, and positional principle, which govern when and where tokens can be confidently and efficiently decoded. We further integrate our strategy with dLLM-Cache to reduce redundant computation. Extensive experiments across benchmarks and models show that SlowFast Sampling achieves up to 15.63$\times$ speedup on LLaDA with minimal accuracy drop, and up to 34.22$\times$ when combined with caching. Notably, our approach outperforms strong autoregressive baselines like LLaMA3 8B in throughput, demonstrating that well-designed sampling can unlock the full potential of dLLMs for fast and high-quality generation.
comment: 11 pages; 5 figures;
Computer Vision and Pattern Recognition 100
☆ EMLoC: Emulator-based Memory-efficient Fine-tuning with LoRA Correction
Open-source foundation models have seen rapid adoption and development, enabling powerful general-purpose capabilities across diverse domains. However, fine-tuning large foundation models for domain-specific or personalized tasks remains prohibitively expensive for most users due to the significant memory overhead beyond that of inference. We introduce EMLoC, an Emulator-based Memory-efficient fine-tuning framework with LoRA Correction, which enables model fine-tuning within the same memory budget required for inference. EMLoC constructs a task-specific light-weight emulator using activation-aware singular value decomposition (SVD) on a small downstream calibration set. Fine-tuning then is performed on this lightweight emulator via LoRA. To tackle the misalignment between the original model and the compressed emulator, we propose a novel compensation algorithm to correct the fine-tuned LoRA module, which thus can be merged into the original model for inference. EMLoC supports flexible compression ratios and standard training pipelines, making it adaptable to a wide range of applications. Extensive experiments demonstrate that EMLoC outperforms other baselines across multiple datasets and modalities. Moreover, without quantization, EMLoC enables fine-tuning of a 38B model on a single 24GB consumer GPU-bringing efficient and practical model adaptation to individual users.
comment: Under review. Project page: https://hsi-che-lin.github.io/EMLoC/
☆ Affogato: Learning Open-Vocabulary Affordance Grounding with Automated Data Generation at Scale
Affordance grounding-localizing object regions based on natural language descriptions of interactions-is a critical challenge for enabling intelligent agents to understand and interact with their environments. However, this task remains challenging due to the need for fine-grained part-level localization, the ambiguity arising from multiple valid interaction regions, and the scarcity of large-scale datasets. In this work, we introduce Affogato, a large-scale benchmark comprising 150K instances, annotated with open-vocabulary text descriptions and corresponding 3D affordance heatmaps across a diverse set of objects and interactions. Building on this benchmark, we develop simple yet effective vision-language models that leverage pretrained part-aware vision backbones and a text-conditional heatmap decoder. Our models trained with the Affogato dataset achieve promising performance on the existing 2D and 3D benchmarks, and notably, exhibit effectiveness in open-vocabulary cross-domain generalization. The Affogato dataset is shared in public: https://huggingface.co/datasets/project-affogato/affogato
☆ SIMSHIFT: A Benchmark for Adapting Neural Surrogates to Distribution Shifts
Neural surrogates for Partial Differential Equations (PDEs) often suffer significant performance degradation when evaluated on unseen problem configurations, such as novel material types or structural dimensions. Meanwhile, Domain Adaptation (DA) techniques have been widely used in vision and language processing to generalize from limited information about unseen configurations. In this work, we address this gap through two focused contributions. First, we introduce SIMSHIFT, a novel benchmark dataset and evaluation suite composed of four industrial simulation tasks: hot rolling, sheet metal forming, electric motor design and heatsink design. Second, we extend established domain adaptation methods to state of the art neural surrogates and systematically evaluate them. These approaches use parametric descriptions and ground truth simulations from multiple source configurations, together with only parametric descriptions from target configurations. The goal is to accurately predict target simulations without access to ground truth simulation data. Extensive experiments on SIMSHIFT highlight the challenges of out of distribution neural surrogate modeling, demonstrate the potential of DA in simulation, and reveal open problems in achieving robust neural surrogates under distribution shifts in industrially relevant scenarios. Our codebase is available at https://github.com/psetinek/simshift
☆ crossMoDA Challenge: Evolution of Cross-Modality Domain Adaptation Techniques for Vestibular Schwannoma and Cochlea Segmentation from 2021 to 2023
The cross-Modality Domain Adaptation (crossMoDA) challenge series, initiated in 2021 in conjunction with the International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI), focuses on unsupervised cross-modality segmentation, learning from contrast-enhanced T1 (ceT1) and transferring to T2 MRI. The task is an extreme example of domain shift chosen to serve as a meaningful and illustrative benchmark. From a clinical application perspective, it aims to automate Vestibular Schwannoma (VS) and cochlea segmentation on T2 scans for more cost-effective VS management. Over time, the challenge objectives have evolved to enhance its clinical relevance. The challenge evolved from using single-institutional data and basic segmentation in 2021 to incorporating multi-institutional data and Koos grading in 2022, and by 2023, it included heterogeneous routine data and sub-segmentation of intra- and extra-meatal tumour components. In this work, we report the findings of the 2022 and 2023 editions and perform a retrospective analysis of the challenge progression over the years. The observations from the successive challenge contributions indicate that the number of outliers decreases with an expanding dataset. This is notable since the diversity of scanning protocols of the datasets concurrently increased. The winning approach of the 2023 edition reduced the number of outliers on the 2021 and 2022 testing data, demonstrating how increased data heterogeneity can enhance segmentation performance even on homogeneous data. However, the cochlea Dice score declined in 2023, likely due to the added complexity from tumour sub-annotations affecting overall segmentation performance. While progress is still needed for clinically acceptable VS segmentation, the plateauing performance suggests that a more challenging cross-modal task may better serve future benchmarking.
☆ Improving Surgical Risk Prediction Through Integrating Automated Body Composition Analysis: a Retrospective Trial on Colectomy Surgery
Objective: To evaluate whether preoperative body composition metrics automatically extracted from CT scans can predict postoperative outcomes after colectomy, either alone or combined with clinical variables or existing risk predictors. Main outcomes and measures: The primary outcome was the predictive performance for 1-year all-cause mortality following colectomy. A Cox proportional hazards model with 1-year follow-up was used, and performance was evaluated using the concordance index (C-index) and Integrated Brier Score (IBS). Secondary outcomes included postoperative complications, unplanned readmission, blood transfusion, and severe infection, assessed using AUC and Brier Score from logistic regression. Odds ratios (OR) described associations between individual CT-derived body composition metrics and outcomes. Over 300 features were extracted from preoperative CTs across multiple vertebral levels, including skeletal muscle area, density, fat areas, and inter-tissue metrics. NSQIP scores were available for all surgeries after 2012.
comment: 32 pages, 5 figures
☆ VGR: Visual Grounded Reasoning
In the field of multimodal chain-of-thought (CoT) reasoning, existing approaches predominantly rely on reasoning on pure language space, which inherently suffers from language bias and is largely confined to math or science domains. This narrow focus limits their ability to handle complex visual reasoning tasks that demand comprehensive understanding of image details. To address these limitations, this paper introduces VGR, a novel reasoning multimodal large language model (MLLM) with enhanced fine-grained visual perception capabilities. Unlike traditional MLLMs that answer the question or reasoning solely on the language space, our VGR first detects relevant regions that may help to solve problems, and then provides precise answers based on replayed image regions. To achieve this, we conduct a large-scale SFT dataset called VGR -SFT that contains reasoning data with mixed vision grounding and language deduction. The inference pipeline of VGR allows the model to choose bounding boxes for visual reference and a replay stage is introduced to integrates the corresponding regions into the reasoning process, enhancing multimodel comprehension. Experiments on the LLaVA-NeXT-7B baseline show that VGR achieves superior performance on multi-modal benchmarks requiring comprehensive image detail understanding. Compared to the baseline, VGR uses only 30\% of the image token count while delivering scores of +4.1 on MMStar, +7.1 on AI2D, and a +12.9 improvement on ChartQA.
comment: 9 pages, 4 figures
☆ Simple Radiology VLLM Test-time Scaling with Thought Graph Traversal
Test-time scaling offers a promising way to improve the reasoning performance of vision-language large models (VLLMs) without additional training. In this paper, we explore a simple but effective approach for applying test-time scaling to radiology report generation. Specifically, we introduce a lightweight Thought Graph Traversal (TGT) framework that guides the model to reason through organ-specific findings in a medically coherent order. This framework integrates structured medical priors into the prompt, enabling deeper and more logical analysis with no changes to the underlying model. To further enhance reasoning depth, we apply a reasoning budget forcing strategy that adjusts the model's inference depth at test time by dynamically extending its generation process. This simple yet powerful combination allows a frozen radiology VLLM to self-correct and generate more accurate, consistent chest X-ray reports. Our method outperforms baseline prompting approaches on standard benchmarks, and also reveals dataset biases through traceable reasoning paths. Code and prompts are open-sourced for reproducibility at https://github.com/glerium/Thought-Graph-Traversal.
comment: arXiv admin note: text overlap with arXiv:2404.11209 by other authors
☆ How Visual Representations Map to Language Feature Space in Multimodal LLMs
Effective multimodal reasoning depends on the alignment of visual and linguistic representations, yet the mechanisms by which vision-language models (VLMs) achieve this alignment remain poorly understood. We introduce a methodological framework that deliberately maintains a frozen large language model (LLM) and a frozen vision transformer (ViT), connected solely by training a linear adapter during visual instruction tuning. This design is fundamental to our approach: by keeping the language model frozen, we ensure it maintains its original language representations without adaptation to visual data. Consequently, the linear adapter must map visual features directly into the LLM's existing representational space rather than allowing the language model to develop specialized visual understanding through fine-tuning. Our experimental design uniquely enables the use of pre-trained sparse autoencoders (SAEs) of the LLM as analytical probes. These SAEs remain perfectly aligned with the unchanged language model and serve as a snapshot of the learned language feature-representations. Through systematic analysis of SAE reconstruction error, sparsity patterns, and feature SAE descriptions, we reveal the layer-wise progression through which visual representations gradually align with language feature representations, converging in middle-to-later layers. This suggests a fundamental misalignment between ViT outputs and early LLM layers, raising important questions about whether current adapter-based architectures optimally facilitate cross-modal representation learning.
☆ Visual Pre-Training on Unlabeled Images using Reinforcement Learning
In reinforcement learning (RL), value-based algorithms learn to associate each observation with the states and rewards that are likely to be reached from it. We observe that many self-supervised image pre-training methods bear similarity to this formulation: learning features that associate crops of images with those of nearby views, e.g., by taking a different crop or color augmentation. In this paper, we complete this analogy and explore a method that directly casts pre-training on unlabeled image data like web crawls and video frames as an RL problem. We train a general value function in a dynamical system where an agent transforms an image by changing the view or adding image augmentations. Learning in this way resembles crop-consistency self-supervision, but through the reward function, offers a simple lever to shape feature learning using curated images or weakly labeled captions when they exist. Our experiments demonstrate improved representations when training on unlabeled images in the wild, including video data like EpicKitchens, scene data like COCO, and web-crawl data like CC12M.
☆ Evaluating Sensitivity Parameters in Smartphone-Based Gaze Estimation: A Comparative Study of Appearance-Based and Infrared Eye Trackers
This study evaluates a smartphone-based, deep-learning eye-tracking algorithm by comparing its performance against a commercial infrared-based eye tracker, the Tobii Pro Nano. The aim is to investigate the feasibility of appearance-based gaze estimation under realistic mobile usage conditions. Key sensitivity factors, including age, gender, vision correction, lighting conditions, device type, and head position, were systematically analysed. The appearance-based algorithm integrates a lightweight convolutional neural network (MobileNet-V3) with a recurrent structure (Long Short-Term Memory) to predict gaze coordinates from grayscale facial images. Gaze data were collected from 51 participants using dynamic visual stimuli, and accuracy was measured using Euclidean distance. The deep learning model produced a mean error of 17.76 mm, compared to 16.53 mm for the Tobii Pro Nano. While overall accuracy differences were small, the deep learning-based method was more sensitive to factors such as lighting, vision correction, and age, with higher failure rates observed under low-light conditions among participants using glasses and in older age groups. Device-specific and positional factors also influenced tracking performance. These results highlight the potential of appearance-based approaches for mobile eye tracking and offer a reference framework for evaluating gaze estimation systems across varied usage conditions.
☆ Real-World Deployment of a Lane Change Prediction Architecture Based on Knowledge Graph Embeddings and Bayesian Inference
Research on lane change prediction has gained a lot of momentum in the last couple of years. However, most research is confined to simulation or results obtained from datasets, leaving a gap between algorithmic advances and on-road deployment. This work closes that gap by demonstrating, on real hardware, a lane-change prediction system based on Knowledge Graph Embeddings (KGEs) and Bayesian inference. Moreover, the ego-vehicle employs a longitudinal braking action to ensure the safety of both itself and the surrounding vehicles. Our architecture consists of two modules: (i) a perception module that senses the environment, derives input numerical features, and converts them into linguistic categories; and communicates them to the prediction module; (ii) a pretrained prediction module that executes a KGE and Bayesian inference model to anticipate the target vehicle's maneuver and transforms the prediction into longitudinal braking action. Real-world hardware experimental validation demonstrates that our prediction system anticipates the target vehicle's lane change three to four seconds in advance, providing the ego vehicle sufficient time to react and allowing the target vehicle to make the lane change safely.
☆ Aligned Novel View Image and Geometry Synthesis via Cross-modal Attention Instillation
We introduce a diffusion-based framework that performs aligned novel view image and geometry generation via a warping-and-inpainting methodology. Unlike prior methods that require dense posed images or pose-embedded generative models limited to in-domain views, our method leverages off-the-shelf geometry predictors to predict partial geometries viewed from reference images, and formulates novel-view synthesis as an inpainting task for both image and geometry. To ensure accurate alignment between generated images and geometry, we propose cross-modal attention distillation, where attention maps from the image diffusion branch are injected into a parallel geometry diffusion branch during both training and inference. This multi-task approach achieves synergistic effects, facilitating geometrically robust image synthesis as well as well-defined geometry prediction. We further introduce proximity-based mesh conditioning to integrate depth and normal cues, interpolating between point cloud and filtering erroneously predicted geometry from influencing the generation process. Empirically, our method achieves high-fidelity extrapolative view synthesis on both image and geometry across a range of unseen scenes, delivers competitive reconstruction quality under interpolation settings, and produces geometrically aligned colored point clouds for comprehensive 3D completion. Project page is available at https://cvlab-kaist.github.io/MoAI.
☆ O2Former:Direction-Aware and Multi-Scale Query Enhancement for SAR Ship Instance Segmentation
Instance segmentation of ships in synthetic aperture radar (SAR) imagery is critical for applications such as maritime monitoring, environmental analysis, and national security. SAR ship images present challenges including scale variation, object density, and fuzzy target boundary, which are often overlooked in existing methods, leading to suboptimal performance. In this work, we propose O2Former, a tailored instance segmentation framework that extends Mask2Former by fully leveraging the structural characteristics of SAR imagery. We introduce two key components. The first is the Optimized Query Generator(OQG). It enables multi-scale feature interaction by jointly encoding shallow positional cues and high-level semantic information. This improves query quality and convergence efficiency. The second component is the Orientation-Aware Embedding Module(OAEM). It enhances directional sensitivity through direction-aware convolution and polar-coordinate encoding. This effectively addresses the challenge of uneven target orientations in SAR scenes. Together, these modules facilitate precise feature alignment from backbone to decoder and strengthen the model's capacity to capture fine-grained structural details. Extensive experiments demonstrate that O2Former outperforms state of the art instance segmentation baselines, validating its effectiveness and generalization on SAR ship datasets.
comment: 12 pages, 7 figures
☆ Methods for evaluating the resolution of 3D data derived from satellite images
3D data derived from satellite images is essential for scene modeling applications requiring large-scale coverage or involving locations not accessible by airborne lidar or cameras. Measuring the resolution of this data is important for determining mission utility and tracking improvements. In this work, we consider methods to evaluate the resolution of point clouds, digital surface models, and 3D mesh models. We describe 3D metric evaluation tools and workflows that enable automated evaluation based on high-resolution reference airborne lidar, and we present results of analyses with data of varying quality.
comment: 11 pages, 13 figures
☆ SphereDrag: Spherical Geometry-Aware Panoramic Image Editing
Image editing has made great progress on planar images, but panoramic image editing remains underexplored. Due to their spherical geometry and projection distortions, panoramic images present three key challenges: boundary discontinuity, trajectory deformation, and uneven pixel density. To tackle these issues, we propose SphereDrag, a novel panoramic editing framework utilizing spherical geometry knowledge for accurate and controllable editing. Specifically, adaptive reprojection (AR) uses adaptive spherical rotation to deal with discontinuity; great-circle trajectory adjustment (GCTA) tracks the movement trajectory more accurate; spherical search region tracking (SSRT) adaptively scales the search range based on spherical location to address uneven pixel density. Also, we construct PanoBench, a panoramic editing benchmark, including complex editing tasks involving multiple objects and diverse styles, which provides a standardized evaluation framework. Experiments show that SphereDrag gains a considerable improvement compared with existing methods in geometric consistency and image quality, achieving up to 10.5% relative improvement.
☆ MindGrab for BrainChop: Fast and Accurate Skull Stripping for Command Line and Browser
We developed MindGrab, a parameter- and memory-efficient deep fully-convolutional model for volumetric skull-stripping in head images of any modality. Its architecture, informed by a spectral interpretation of dilated convolutions, was trained exclusively on modality-agnostic synthetic data. MindGrab was evaluated on a retrospective dataset of 606 multimodal adult-brain scans (T1, T2, DWI, MRA, PDw MRI, EPI, CT, PET) sourced from the SynthStrip dataset. Performance was benchmarked against SynthStrip, ROBEX, and BET using Dice scores, with Wilcoxon signed-rank significance tests. MindGrab achieved a mean Dice score of 95.9 with standard deviation (SD) 1.6 across modalities, significantly outperforming classical methods (ROBEX: 89.1 SD 7.7, P < 0.05; BET: 85.2 SD 14.4, P < 0.05). Compared to SynthStrip (96.5 SD 1.1, P=0.0352), MindGrab delivered equivalent or superior performance in nearly half of the tested scenarios, with minor differences (<3% Dice) in the others. MindGrab utilized 95% fewer parameters (146,237 vs. 2,566,561) than SynthStrip. This efficiency yielded at least 2x faster inference, 50% lower memory usage on GPUs, and enabled exceptional performance (e.g., 10-30x speedup, and up to 30x memory reduction) and accessibility on a wider range of hardware, including systems without high-end GPUs. MindGrab delivers state-of-the-art accuracy with dramatically lower resource demands, supported in brainchop-cli (https://pypi.org/project/brainchop/) and at brainchop.org.
comment: 12 pages, 1 table, 4 figures. 2 supplementary tables, 1 supplementary figure. Brainchop-cli: https://pypi.org/project/brainchop/ . Brainchop web: https://brainchop.org/
☆ Vision-based Lifting of 2D Object Detections for Automated Driving
Image-based 3D object detection is an inevitable part of autonomous driving because cheap onboard cameras are already available in most modern cars. Because of the accurate depth information, currently, most state-of-the-art 3D object detectors heavily rely on LiDAR data. In this paper, we propose a pipeline which lifts the results of existing vision-based 2D algorithms to 3D detections using only cameras as a cost-effective alternative to LiDAR. In contrast to existing approaches, we focus not only on cars but on all types of road users. To the best of our knowledge, we are the first using a 2D CNN to process the point cloud for each 2D detection to keep the computational effort as low as possible. Our evaluation on the challenging KITTI 3D object detection benchmark shows results comparable to state-of-the-art image-based approaches while having a runtime of only a third.
comment: https://ieeexplore.ieee.org/document/9190325
☆ Structural Similarity-Inspired Unfolding for Lightweight Image Super-Resolution
Major efforts in data-driven image super-resolution (SR) primarily focus on expanding the receptive field of the model to better capture contextual information. However, these methods are typically implemented by stacking deeper networks or leveraging transformer-based attention mechanisms, which consequently increases model complexity. In contrast, model-driven methods based on the unfolding paradigm show promise in improving performance while effectively maintaining model compactness through sophisticated module design. Based on these insights, we propose a Structural Similarity-Inspired Unfolding (SSIU) method for efficient image SR. This method is designed through unfolding an SR optimization function constrained by structural similarity, aiming to combine the strengths of both data-driven and model-driven approaches. Our model operates progressively following the unfolding paradigm. Each iteration consists of multiple Mixed-Scale Gating Modules (MSGM) and an Efficient Sparse Attention Module (ESAM). The former implements comprehensive constraints on features, including a structural similarity constraint, while the latter aims to achieve sparse activation. In addition, we design a Mixture-of-Experts-based Feature Selector (MoE-FS) that fully utilizes multi-level feature information by combining features from different steps. Extensive experiments validate the efficacy and efficiency of our unfolding-inspired network. Our model outperforms current state-of-the-art models, boasting lower parameter counts and reduced memory consumption. Our code will be available at: https://github.com/eezkni/SSIU
comment: Accepted to IEEE Transactions on Image Processing
☆ Framework of a multiscale data-driven digital twin of the muscle-skeletal system
Musculoskeletal disorders (MSDs) are a leading cause of disability worldwide, requiring advanced diagnostic and therapeutic tools for personalised assessment and treatment. Effective management of MSDs involves the interaction of heterogeneous data sources, making the Digital Twin (DT) paradigm a valuable option. This paper introduces the Musculoskeletal Digital Twin (MS-DT), a novel framework that integrates multiscale biomechanical data with computational modelling to create a detailed, patient-specific representation of the musculoskeletal system. By combining motion capture, ultrasound imaging, electromyography, and medical imaging, the MS-DT enables the analysis of spinal kinematics, posture, and muscle function. An interactive visualisation platform provides clinicians and researchers with an intuitive interface for exploring biomechanical parameters and tracking patient-specific changes. Results demonstrate the effectiveness of MS-DT in extracting precise kinematic and dynamic tissue features, offering a comprehensive tool for monitoring spine biomechanics and rehabilitation. This framework provides high-fidelity modelling and real-time visualization to improve patient-specific diagnosis and intervention planning.
☆ Rethinking Multilingual Vision-Language Translation: Dataset, Evaluation, and Adaptation
Vision-Language Translation (VLT) is a challenging task that requires accurately recognizing multilingual text embedded in images and translating it into the target language with the support of visual context. While recent Large Vision-Language Models (LVLMs) have demonstrated strong multilingual and visual understanding capabilities, there is a lack of systematic evaluation and understanding of their performance on VLT. In this work, we present a comprehensive study of VLT from three key perspectives: data quality, model architecture, and evaluation metrics. (1) We identify critical limitations in existing datasets, particularly in semantic and cultural fidelity, and introduce AibTrans -- a multilingual, parallel, human-verified dataset with OCR-corrected annotations. (2) We benchmark 11 commercial LVLMs/LLMs and 6 state-of-the-art open-source models across end-to-end and cascaded architectures, revealing their OCR dependency and contrasting generation versus reasoning behaviors. (3) We propose Density-Aware Evaluation to address metric reliability issues under varying contextual complexity, introducing the DA Score as a more robust measure of translation quality. Building upon these findings, we establish a new evaluation benchmark for VLT. Notably, we observe that fine-tuning LVLMs on high-resource language pairs degrades cross-lingual performance, and we propose a balanced multilingual fine-tuning strategy that effectively adapts LVLMs to VLT without sacrificing their generalization ability.
☆ Teleoperated Driving: a New Challenge for 3D Object Detection in Compressed Point Clouds
In recent years, the development of interconnected devices has expanded in many fields, from infotainment to education and industrial applications. This trend has been accelerated by the increased number of sensors and accessibility to powerful hardware and software. One area that significantly benefits from these advancements is Teleoperated Driving (TD). In this scenario, a controller drives safely a vehicle from remote leveraging sensors data generated onboard the vehicle, and exchanged via Vehicle-to-Everything (V2X) communications. In this work, we tackle the problem of detecting the presence of cars and pedestrians from point cloud data to enable safe TD operations. More specifically, we exploit the SELMA dataset, a multimodal, open-source, synthetic dataset for autonomous driving, that we expanded by including the ground-truth bounding boxes of 3D objects to support object detection. We analyze the performance of state-of-the-art compression algorithms and object detectors under several metrics, including compression efficiency, (de)compression and inference time, and detection accuracy. Moreover, we measure the impact of compression and detection on the V2X network in terms of data rate and latency with respect to 3GPP requirements for TD applications.
comment: Submitted to IEEE Transactions on Intelligent Transportation Systems
☆ Solving Inverse Problems in Stochastic Self-Organising Systems through Invariant Representations
Self-organising systems demonstrate how simple local rules can generate complex stochastic patterns. Many natural systems rely on such dynamics, making self-organisation central to understanding natural complexity. A fundamental challenge in modelling such systems is solving the inverse problem: finding the unknown causal parameters from macroscopic observations. This task becomes particularly difficult when observations have a strong stochastic component, yielding diverse yet equivalent patterns. Traditional inverse methods fail in this setting, as pixel-wise metrics cannot capture feature similarities between variable outcomes. In this work, we introduce a novel inverse modelling method specifically designed to handle stochasticity in the observable space, leveraging the capacity of visual embeddings to produce robust representations that capture perceptual invariances. By mapping the pattern representations onto an invariant embedding space, we can effectively recover unknown causal parameters without the need for handcrafted objective functions or heuristics. We evaluate the method on two canonical models--a reaction-diffusion system and an agent-based model of social segregation--and show that it reliably recovers parameters despite stochasticity in the outcomes. We further apply the method to real biological patterns, highlighting its potential as a tool for both theorists and experimentalists to investigate the dynamics underlying complex stochastic pattern formation.
comment: Preprint. Under review
☆ GPLQ: A General, Practical, and Lightning QAT Method for Vision Transformers
Vision Transformers (ViTs) are essential in computer vision but are computationally intensive, too. Model quantization, particularly to low bit-widths like 4-bit, aims to alleviate this difficulty, yet existing Post-Training Quantization (PTQ) and Quantization-Aware Training (QAT) methods exhibit significant limitations. PTQ often incurs substantial accuracy drop, while QAT achieves high accuracy but suffers from prohibitive computational costs, limited generalization to downstream tasks, training instability, and lacking of open-source codebase. To address these challenges, this paper introduces General, Practical, and Lightning Quantization (GPLQ), a novel framework designed for efficient and effective ViT quantization. GPLQ is founded on two key empirical insights: the paramount importance of activation quantization and the necessity of preserving the model's original optimization ``basin'' to maintain generalization. Consequently, GPLQ employs a sequential ``activation-first, weights-later'' strategy. Stage 1 keeps weights in FP32 while quantizing activations with a feature mimicking loss in only 1 epoch to keep it stay in the same ``basin'', thereby preserving generalization. Stage 2 quantizes weights using a PTQ method. As a result, GPLQ is 100x faster than existing QAT methods, lowers memory footprint to levels even below FP32 training, and achieves 4-bit model performance that is highly competitive with FP32 models in terms of both accuracy on ImageNet and generalization to diverse downstream tasks, including fine-grained visual classification and object detection. We will release an easy-to-use open-source toolkit supporting multiple vision tasks.
Self-supervised Learning of Echocardiographic Video Representations via Online Cluster Distillation
Self-supervised learning (SSL) has achieved major advances in natural images and video understanding, but challenges remain in domains like echocardiography (heart ultrasound) due to subtle anatomical structures, complex temporal dynamics, and the current lack of domain-specific pre-trained models. Existing SSL approaches such as contrastive, masked modeling, and clustering-based methods struggle with high intersample similarity, sensitivity to low PSNR inputs common in ultrasound, or aggressive augmentations that distort clinically relevant features. We present DISCOVR (Distilled Image Supervision for Cross Modal Video Representation), a self-supervised dual branch framework for cardiac ultrasound video representation learning. DISCOVR combines a clustering-based video encoder that models temporal dynamics with an online image encoder that extracts fine-grained spatial semantics. These branches are connected through a semantic cluster distillation loss that transfers anatomical knowledge from the evolving image encoder to the video encoder, enabling temporally coherent representations enriched with fine-grained semantic understanding. Evaluated on six echocardiography datasets spanning fetal, pediatric, and adult populations, DISCOVR outperforms both specialized video anomaly detection methods and state-of-the-art video-SSL baselines in zero-shot and linear probing setups, and achieves superior segmentation transfer.
☆ Real-Time Feedback and Benchmark Dataset for Isometric Pose Evaluation
Isometric exercises appeal to individuals seeking convenience, privacy, and minimal dependence on equipments. However, such fitness training is often overdependent on unreliable digital media content instead of expert supervision, introducing serious risks, including incorrect posture, injury, and disengagement due to lack of corrective feedback. To address these challenges, we present a real-time feedback system for assessing isometric poses. Our contributions include the release of the largest multiclass isometric exercise video dataset to date, comprising over 3,600 clips across six poses with correct and incorrect variations. To support robust evaluation, we benchmark state-of-the-art models-including graph-based networks-on this dataset and introduce a novel three-part metric that captures classification accuracy, mistake localization, and model confidence. Our results enhance the feasibility of intelligent and personalized exercise training systems for home workouts. This expert-level diagnosis, delivered directly to the users, also expands the potential applications of these systems to rehabilitation, physiotherapy, and various other fitness disciplines that involve physical motion.
AgentSense: Virtual Sensor Data Generation Using LLM Agent in Simulated Home Environments
A major obstacle in developing robust and generalizable smart home-based Human Activity Recognition (HAR) systems is the lack of large-scale, diverse labeled datasets. Variability in home layouts, sensor configurations, and user behavior adds further complexity, as individuals follow varied routines and perform activities in distinct ways. Building HAR systems that generalize well requires training data that captures the diversity across users and environments. To address these challenges, we introduce AgentSense, a virtual data generation pipeline where diverse personas are generated by leveraging Large Language Models. These personas are used to create daily routines, which are then decomposed into low-level action sequences. Subsequently, the actions are executed in a simulated home environment called VirtualHome that we extended with virtual ambient sensors capable of recording the agents activities as they unfold. Overall, AgentSense enables the generation of rich, virtual sensor datasets that represent a wide range of users and home settings. Across five benchmark HAR datasets, we show that leveraging our virtual sensor data substantially improves performance, particularly when real data are limited. Notably, models trained on a combination of virtual data and just a few days of real data achieve performance comparable to those trained on the entire real datasets. These results demonstrate and prove the potential of virtual data to address one of the most pressing challenges in ambient sensing, which is the distinct lack of large-scale, annotated datasets without requiring any manual data collection efforts.
☆ CLIP Meets Diffusion: A Synergistic Approach to Anomaly Detection
Anomaly detection is a complex problem due to the ambiguity in defining anomalies, the diversity of anomaly types (e.g., local and global defect), and the scarcity of training data. As such, it necessitates a comprehensive model capable of capturing both low-level and high-level features, even with limited data. To address this, we propose CLIPFUSION, a method that leverages both discriminative and generative foundation models. Specifically, the CLIP-based discriminative model excels at capturing global features, while the diffusion-based generative model effectively captures local details, creating a synergistic and complementary approach. Notably, we introduce a methodology for utilizing cross-attention maps and feature maps extracted from diffusion models specifically for anomaly detection. Experimental results on benchmark datasets (MVTec-AD, VisA) demonstrate that CLIPFUSION consistently outperforms baseline methods, achieving outstanding performance in both anomaly segmentation and classification. We believe that our method underscores the effectiveness of multi-modal and multi-model fusion in tackling the multifaceted challenges of anomaly detection, providing a scalable solution for real-world applications.
☆ MambaVSR: Content-Aware Scanning State Space Model for Video Super-Resolution
Video super-resolution (VSR) faces critical challenges in effectively modeling non-local dependencies across misaligned frames while preserving computational efficiency. Existing VSR methods typically rely on optical flow strategies or transformer architectures, which struggle with large motion displacements and long video sequences. To address this, we propose MambaVSR, the first state-space model framework for VSR that incorporates an innovative content-aware scanning mechanism. Unlike rigid 1D sequential processing in conventional vision Mamba methods, our MambaVSR enables dynamic spatiotemporal interactions through the Shared Compass Construction (SCC) and the Content-Aware Sequentialization (CAS). Specifically, the SCC module constructs intra-frame semantic connectivity graphs via efficient sparse attention and generates adaptive spatial scanning sequences through spectral clustering. Building upon SCC, the CAS module effectively aligns and aggregates non-local similar content across multiple frames by interleaving temporal features along the learned spatial order. To bridge global dependencies with local details, the Global-Local State Space Block (GLSSB) synergistically integrates window self-attention operations with SSM-based feature propagation, enabling high-frequency detail recovery under global dependency guidance. Extensive experiments validate MambaVSR's superiority, outperforming the Transformer-based method by 0.58 dB PSNR on the REDS dataset with 55% fewer parameters.
☆ DiffFuSR: Super-Resolution of all Sentinel-2 Multispectral Bands using Diffusion Models
This paper presents DiffFuSR, a modular pipeline for super-resolving all 12 spectral bands of Sentinel-2 Level-2A imagery to a unified ground sampling distance (GSD) of 2.5 meters. The pipeline comprises two stages: (i) a diffusion-based super-resolution (SR) model trained on high-resolution RGB imagery from the NAIP and WorldStrat datasets, harmonized to simulate Sentinel-2 characteristics; and (ii) a learned fusion network that upscales the remaining multispectral bands using the super-resolved RGB image as a spatial prior. We introduce a robust degradation model and contrastive degradation encoder to support blind SR. Extensive evaluations of the proposed SR pipeline on the OpenSR benchmark demonstrate that the proposed method outperforms current SOTA baselines in terms of reflectance fidelity, spectral consistency, spatial alignment, and hallucination suppression. Furthermore, the fusion network significantly outperforms classical pansharpening approaches, enabling accurate enhancement of Sentinel-2's 20 m and 60 m bands. This study underscores the power of harmonized learning with generative priors and fusion strategies to create a modular framework for Sentinel-2 SR. Our code and models can be found at https://github.com/NorskRegnesentral/DiffFuSR.
comment: preprint under review
☆ Exploring the Effectiveness of Deep Features from Domain-Specific Foundation Models in Retinal Image Synthesis
The adoption of neural network models in medical imaging has been constrained by strict privacy regulations, limited data availability, high acquisition costs, and demographic biases. Deep generative models offer a promising solution by generating synthetic data that bypasses privacy concerns and addresses fairness by producing samples for under-represented groups. However, unlike natural images, medical imaging requires validation not only for fidelity (e.g., Fr\'echet Inception Score) but also for morphological and clinical accuracy. This is particularly true for colour fundus retinal imaging, which requires precise replication of the retinal vascular network, including vessel topology, continuity, and thickness. In this study, we in-vestigated whether a distance-based loss function based on deep activation layers of a large foundational model trained on large corpus of domain data, colour fundus imaging, offers advantages over a perceptual loss and edge-detection based loss functions. Our extensive validation pipeline, based on both domain-free and domain specific tasks, suggests that domain-specific deep features do not improve autoen-coder image generation. Conversely, our findings highlight the effectiveness of con-ventional edge detection filters in improving the sharpness of vascular structures in synthetic samples.
comment: To be published and presented at the MIUA 2025 conference
☆ AgriPotential: A Novel Multi-Spectral and Multi-Temporal Remote Sensing Dataset for Agricultural Potentials
Remote sensing has emerged as a critical tool for large-scale Earth monitoring and land management. In this paper, we introduce AgriPotential, a novel benchmark dataset composed of Sentinel-2 satellite imagery spanning multiple months. The dataset provides pixel-level annotations of agricultural potentials for three major crop types - viticulture, market gardening, and field crops - across five ordinal classes. AgriPotential supports a broad range of machine learning tasks, including ordinal regression, multi-label classification, and spatio-temporal modeling. The data covers diverse areas in Southern France, offering rich spectral information. AgriPotential is the first public dataset designed specifically for agricultural potential prediction, aiming to improve data-driven approaches to sustainable land use planning. The dataset and the code are freely accessible at: https://zenodo.org/records/15556484
☆ Quizzard@INOVA Challenge 2025 -- Track A: Plug-and-Play Technique in Interleaved Multi-Image Model
This paper addresses two main objectives. Firstly, we demonstrate the impressive performance of the LLaVA-NeXT-interleave on 22 datasets across three different tasks: Multi-Image Reasoning, Documents and Knowledge-Based Understanding and Interactive Multi-Modal Communication. Secondly, we add the Dense Channel Integration (DCI) connector to the LLaVA-NeXT-Interleave and compare its performance against the standard model. We find that the standard model achieves the highest overall accuracy, excelling in vision-heavy tasks like VISION, NLVR2, and Fashion200K. Meanwhile, the DCI-enhanced version shows particular strength on datasets requiring deeper semantic coherence or structured change understanding such as MIT-States_PropertyCoherence and SlideVQA. Our results highlight the potential of combining powerful foundation models with plug-and-play techniques for Interleave tasks. The code is available at https://github.com/dinhvietcuong1996/icme25-inova.
☆ DMAF-Net: An Effective Modality Rebalancing Framework for Incomplete Multi-Modal Medical Image Segmentation
Incomplete multi-modal medical image segmentation faces critical challenges from modality imbalance, including imbalanced modality missing rates and heterogeneous modality contributions. Due to their reliance on idealized assumptions of complete modality availability, existing methods fail to dynamically balance contributions and neglect the structural relationships between modalities, resulting in suboptimal performance in real-world clinical scenarios. To address these limitations, we propose a novel model, named Dynamic Modality-Aware Fusion Network (DMAF-Net). The DMAF-Net adopts three key ideas. First, it introduces a Dynamic Modality-Aware Fusion (DMAF) module to suppress missing-modality interference by combining transformer attention with adaptive masking and weight modality contributions dynamically through attention maps. Second, it designs a synergistic Relation Distillation and Prototype Distillation framework to enforce global-local feature alignment via covariance consistency and masked graph attention, while ensuring semantic consistency through cross-modal class-specific prototype alignment. Third, it presents a Dynamic Training Monitoring (DTM) strategy to stabilize optimization under imbalanced missing rates by tracking distillation gaps in real-time, and to balance convergence speeds across modalities by adaptively reweighting losses and scaling gradients. Extensive experiments on BraTS2020 and MyoPS2020 demonstrate that DMAF-Net outperforms existing methods for incomplete multi-modal medical image segmentation. Extensive experiments on BraTS2020 and MyoPS2020 demonstrate that DMAF-Net outperforms existing methods for incomplete multi-modal medical image segmentation. Our code is available at https://github.com/violet-42/DMAF-Net.
comment: 12 pages, 4 figures, 3 tables
☆ MTabVQA: Evaluating Multi-Tabular Reasoning of Language Models in Visual Space
Vision-Language Models (VLMs) have demonstrated remarkable capabilities in interpreting visual layouts and text. However, a significant challenge remains in their ability to interpret robustly and reason over multi-tabular data presented as images, a common occurrence in real-world scenarios like web pages and digital documents. Existing benchmarks typically address single tables or non-visual data (text/structured). This leaves a critical gap: they don't assess the ability to parse diverse table images, correlate information across them, and perform multi-hop reasoning on the combined visual data. We introduce MTabVQA, a novel benchmark specifically designed for multi-tabular visual question answering to bridge that gap. MTabVQA comprises 3,745 complex question-answer pairs that necessitate multi-hop reasoning across several visually rendered table images. We provide extensive benchmark results for state-of-the-art VLMs on MTabVQA, revealing significant performance limitations. We further investigate post-training techniques to enhance these reasoning abilities and release MTabVQA-Instruct, a large-scale instruction-tuning dataset. Our experiments show that fine-tuning VLMs with MTabVQA-Instruct substantially improves their performance on visual multi-tabular reasoning. Code and dataset (https://huggingface.co/datasets/mtabvqa/MTabVQA-Eval) are available online (https://anonymous.4open.science/r/MTabVQA-EMNLP-B16E).
☆ Pose Matters: Evaluating Vision Transformers and CNNs for Human Action Recognition on Small COCO Subsets
This study explores human action recognition using a three-class subset of the COCO image corpus, benchmarking models from simple fully connected networks to transformer architectures. The binary Vision Transformer (ViT) achieved 90% mean test accuracy, significantly exceeding multiclass classifiers such as convolutional networks (approximately 35%) and CLIP-based models (approximately 62-64%). A one-way ANOVA (F = 61.37, p < 0.001) confirmed these differences are statistically significant. Qualitative analysis with SHAP explainer and LeGrad heatmaps indicated that the ViT localizes pose-specific regions (e.g., lower limbs for walking or running), while simpler feed-forward models often focus on background textures, explaining their errors. These findings emphasize the data efficiency of transformer representations and the importance of explainability techniques in diagnosing class-specific failures.
comment: 7 pages, 9 figures
☆ Predicting Patient Survival with Airway Biomarkers using nn-Unet/Radiomics
The primary objective of the AIIB 2023 competition is to evaluate the predictive significance of airway-related imaging biomarkers in determining the survival outcomes of patients with lung fibrosis.This study introduces a comprehensive three-stage approach. Initially, a segmentation network, namely nn-Unet, is employed to delineate the airway's structural boundaries. Subsequently, key features are extracted from the radiomic images centered around the trachea and an enclosing bounding box around the airway. This step is motivated by the potential presence of critical survival-related insights within the tracheal region as well as pertinent information encoded in the structure and dimensions of the airway. Lastly, radiomic features obtained from the segmented areas are integrated into an SVM classifier. We could obtain an overall-score of 0.8601 for the segmentation in Task 1 while 0.7346 for the classification in Task 2.
comment: 8 pages
☆ Cross-Modal Clustering-Guided Negative Sampling for Self-Supervised Joint Learning from Medical Images and Reports
Learning medical visual representations directly from paired images and reports through multimodal self-supervised learning has emerged as a novel and efficient approach to digital diagnosis in recent years. However, existing models suffer from several severe limitations. 1) neglecting the selection of negative samples, resulting in the scarcity of hard negatives and the inclusion of false negatives; 2) focusing on global feature extraction, but overlooking the fine-grained local details that are crucial for medical image recognition tasks; and 3) contrastive learning primarily targets high-level features but ignoring low-level details which are essential for accurate medical analysis. Motivated by these critical issues, this paper presents a Cross-Modal Cluster-Guided Negative Sampling (CM-CGNS) method with two-fold ideas. First, it extends the k-means clustering used for local text features in the single-modal domain to the multimodal domain through cross-modal attention. This improvement increases the number of negative samples and boosts the model representation capability. Second, it introduces a Cross-Modal Masked Image Reconstruction (CM-MIR) module that leverages local text-to-image features obtained via cross-modal attention to reconstruct masked local image regions. This module significantly strengthens the model's cross-modal information interaction capabilities and retains low-level image features essential for downstream tasks. By well handling the aforementioned limitations, the proposed CM-CGNS can learn effective and robust medical visual representations suitable for various recognition tasks. Extensive experimental results on classification, detection, and segmentation tasks across five downstream datasets show that our method outperforms state-of-the-art approaches on multiple metrics, verifying its superior performance.
comment: This work has been submitted to the IEEE TMI for possible publication. Our code is available at https://github.com/violet-42/CM-CGNS
☆ Dynamic Mixture of Curriculum LoRA Experts for Continual Multimodal Instruction Tuning ICML 2025
Continual multimodal instruction tuning is crucial for adapting Multimodal Large Language Models (MLLMs) to evolving tasks. However, most existing methods adopt a fixed architecture, struggling with adapting to new tasks due to static model capacity. We propose to evolve the architecture under parameter budgets for dynamic task adaptation, which remains unexplored and imposes two challenges: 1) task architecture conflict, where different tasks require varying layer-wise adaptations, and 2) modality imbalance, where different tasks rely unevenly on modalities, leading to unbalanced updates. To address these challenges, we propose a novel Dynamic Mixture of Curriculum LoRA Experts (D-MoLE) method, which automatically evolves MLLM's architecture with controlled parameter budgets to continually adapt to new tasks while retaining previously learned knowledge. Specifically, we propose a dynamic layer-wise expert allocator, which automatically allocates LoRA experts across layers to resolve architecture conflicts, and routes instructions layer-wisely to facilitate knowledge sharing among experts. Then, we propose a gradient-based inter-modal continual curriculum, which adjusts the update ratio of each module in MLLM based on the difficulty of each modality within the task to alleviate the modality imbalance problem. Extensive experiments show that D-MoLE significantly outperforms state-of-the-art baselines, achieving a 15% average improvement over the best baseline. To the best of our knowledge, this is the first study of continual learning for MLLMs from an architectural perspective.
comment: Accepted by ICML 2025
☆ Brain Network Analysis Based on Fine-tuned Self-supervised Model for Brain Disease Diagnosis
Functional brain network analysis has become an indispensable tool for brain disease analysis. It is profoundly impacted by deep learning methods, which can characterize complex connections between ROIs. However, the research on foundation models of brain network is limited and constrained to a single dimension, which restricts their extensive application in neuroscience. In this study, we propose a fine-tuned brain network model for brain disease diagnosis. It expands brain region representations across multiple dimensions based on the original brain network model, thereby enhancing its generalizability. Our model consists of two key modules: (1)an adapter module that expands brain region features across different dimensions. (2)a fine-tuned foundation brain network model, based on self-supervised learning and pre-trained on fMRI data from thousands of participants. Specifically, its transformer block is able to effectively extract brain region features and compute the inter-region associations. Moreover, we derive a compact latent representation of the brain network for brain disease diagnosis. Our downstream experiments in this study demonstrate that the proposed model achieves superior performance in brain disease diagnosis, which potentially offers a promising approach in brain network analysis research.
comment: 13 pages, 3 figures, International Conference on Neural Computing for Advanced Applications
☆ Prohibited Items Segmentation via Occlusion-aware Bilayer Modeling
Instance segmentation of prohibited items in security X-ray images is a critical yet challenging task. This is mainly caused by the significant appearance gap between prohibited items in X-ray images and natural objects, as well as the severe overlapping among objects in X-ray images. To address these issues, we propose an occlusion-aware instance segmentation pipeline designed to identify prohibited items in X-ray images. Specifically, to bridge the representation gap, we integrate the Segment Anything Model (SAM) into our pipeline, taking advantage of its rich priors and zero-shot generalization capabilities. To address the overlap between prohibited items, we design an occlusion-aware bilayer mask decoder module that explicitly models the occlusion relationships. To supervise occlusion estimation, we manually annotated occlusion areas of prohibited items in two large-scale X-ray image segmentation datasets, PIDray and PIXray. We then reorganized these additional annotations together with the original information as two occlusion-annotated datasets, PIDray-A and PIXray-A. Extensive experimental results on these occlusion-annotated datasets demonstrate the effectiveness of our proposed method. The datasets and codes are available at: https://github.com/Ryh1218/Occ
comment: Accepted by ICME 2025
☆ DISCO: Mitigating Bias in Deep Learning with Conditional Distance Correlation
During prediction tasks, models can use any signal they receive to come up with the final answer - including signals that are causally irrelevant. When predicting objects from images, for example, the lighting conditions could be correlated to different targets through selection bias, and an oblivious model might use these signals as shortcuts to discern between various objects. A predictor that uses lighting conditions instead of real object-specific details is obviously undesirable. To address this challenge, we introduce a standard anti-causal prediction model (SAM) that creates a causal framework for analyzing the information pathways influencing our predictor in anti-causal settings. We demonstrate that a classifier satisfying a specific conditional independence criterion will focus solely on the direct causal path from label to image, being counterfactually invariant to the remaining variables. Finally, we propose DISCO, a novel regularization strategy that uses conditional distance correlation to optimize for conditional independence in regression tasks. We can show that DISCO achieves competitive results in different bias mitigation experiments, deeming it a valid alternative to classical kernel-based methods.
☆ Evaluating Fairness and Mitigating Bias in Machine Learning: A Novel Technique using Tensor Data and Bayesian Regression
Fairness is a critical component of Trustworthy AI. In this paper, we focus on Machine Learning (ML) and the performance of model predictions when dealing with skin color. Unlike other sensitive attributes, the nature of skin color differs significantly. In computer vision, skin color is represented as tensor data rather than categorical values or single numerical points. However, much of the research on fairness across sensitive groups has focused on categorical features such as gender and race. This paper introduces a new technique for evaluating fairness in ML for image classification tasks, specifically without the use of annotation. To address the limitations of prior work, we handle tensor data, like skin color, without classifying it rigidly. Instead, we convert it into probability distributions and apply statistical distance measures. This novel approach allows us to capture fine-grained nuances in fairness both within and across what would traditionally be considered distinct groups. Additionally, we propose an innovative training method to mitigate the latent biases present in conventional skin tone categorization. This method leverages color distance estimates calculated through Bayesian regression with polynomial functions, ensuring a more nuanced and equitable treatment of skin color in ML models.
☆ SignAligner: Harmonizing Complementary Pose Modalities for Coherent Sign Language Generation
Sign language generation aims to produce diverse sign representations based on spoken language. However, achieving realistic and naturalistic generation remains a significant challenge due to the complexity of sign language, which encompasses intricate hand gestures, facial expressions, and body movements. In this work, we introduce PHOENIX14T+, an extended version of the widely-used RWTH-PHOENIX-Weather 2014T dataset, featuring three new sign representations: Pose, Hamer and Smplerx. We also propose a novel method, SignAligner, for realistic sign language generation, consisting of three stages: text-driven pose modalities co-generation, online collaborative correction of multimodality, and realistic sign video synthesis. First, by incorporating text semantics, we design a joint sign language generator to simultaneously produce posture coordinates, gesture actions, and body movements. The text encoder, based on a Transformer architecture, extracts semantic features, while a cross-modal attention mechanism integrates these features to generate diverse sign language representations, ensuring accurate mapping and controlling the diversity of modal features. Next, online collaborative correction is introduced to refine the generated pose modalities using a dynamic loss weighting strategy and cross-modal attention, facilitating the complementarity of information across modalities, eliminating spatiotemporal conflicts, and ensuring semantic coherence and action consistency. Finally, the corrected pose modalities are fed into a pre-trained video generation network to produce high-fidelity sign language videos. Extensive experiments demonstrate that SignAligner significantly improves both the accuracy and expressiveness of the generated sign videos.
☆ Wi-CBR: WiFi-based Cross-domain Behavior Recognition via Multimodal Collaborative Awareness
WiFi-based human behavior recognition aims to recognize gestures and activities by analyzing wireless signal variations. However, existing methods typically focus on a single type of data, neglecting the interaction and fusion of multiple features. To this end, we propose a novel multimodal collaborative awareness method. By leveraging phase data reflecting changes in dynamic path length and Doppler Shift (DFS) data corresponding to frequency changes related to the speed of gesture movement, we enable efficient interaction and fusion of these features to improve recognition accuracy. Specifically, we first introduce a dual-branch self-attention module to capture spatial-temporal cues within each modality. Then, a group attention mechanism is applied to the concatenated phase and DFS features to mine key group features critical for behavior recognition. Through a gating mechanism, the combined features are further divided into PD-strengthen and PD-weaken branches, optimizing information entropy and promoting cross-modal collaborative awareness. Extensive in-domain and cross-domain experiments on two large publicly available datasets, Widar3.0 and XRF55, demonstrate the superior performance of our method.
☆ VLM@school -- Evaluation of AI image understanding on German middle school knowledge
This paper introduces a novel benchmark dataset designed to evaluate the capabilities of Vision Language Models (VLMs) on tasks that combine visual reasoning with subject-specific background knowledge in the German language. In contrast to widely used English-language benchmarks that often rely on artificially difficult or decontextualized problems, this dataset draws from real middle school curricula across nine domains including mathematics, history, biology, and religion. The benchmark includes over 2,000 open-ended questions grounded in 486 images, ensuring that models must integrate visual interpretation with factual reasoning rather than rely on superficial textual cues. We evaluate thirteen state-of-the-art open-weight VLMs across multiple dimensions, including domain-specific accuracy and performance on adversarial crafted questions. Our findings reveal that even the strongest models achieve less than 45% overall accuracy, with particularly poor performance in music, mathematics, and adversarial settings. Furthermore, the results indicate significant discrepancies between success on popular benchmarks and real-world multimodal understanding. We conclude that middle school-level tasks offer a meaningful and underutilized avenue for stress-testing VLMs, especially in non-English contexts. The dataset and evaluation protocol serve as a rigorous testbed to better understand and improve the visual and linguistic reasoning capabilities of future AI systems.
☆ A$^2$LC: Active and Automated Label Correction for Semantic Segmentation
Active Label Correction (ALC) has emerged as a promising solution to the high cost and error-prone nature of manual pixel-wise annotation in semantic segmentation, by selectively identifying and correcting mislabeled data. Although recent work has improved correction efficiency by generating pseudo-labels using foundation models, substantial inefficiencies still remain. In this paper, we propose Active and Automated Label Correction for semantic segmentation (A$^2$LC), a novel and efficient ALC framework that integrates an automated correction stage into the conventional pipeline. Specifically, the automated correction stage leverages annotator feedback to perform label correction beyond the queried samples, thereby maximizing cost efficiency. In addition, we further introduce an adaptively balanced acquisition function that emphasizes underrepresented tail classes and complements the automated correction mechanism. Extensive experiments on Cityscapes and PASCAL VOC 2012 demonstrate that A$^2$LC significantly outperforms previous state-of-the-art methods. Notably, A$^2$LC achieves high efficiency by outperforming previous methods using only 20% of their budget, and demonstrates strong effectiveness by yielding a 27.23% performance improvement under an equivalent budget constraint on the Cityscapes dataset. The code will be released upon acceptance.
comment: Preprint. Under review. 22 pages, 8 figures
☆ EasyARC: Evaluating Vision Language Models on True Visual Reasoning CVPR2025
Building on recent advances in language-based reasoning models, we explore multimodal reasoning that integrates vision and text. Existing multimodal benchmarks primarily test visual extraction combined with text-based reasoning, lacking true visual reasoning with more complex interactions between vision and language. Inspired by the ARC challenge, we introduce EasyARC, a vision-language benchmark requiring multi-image, multi-step reasoning, and self-correction. EasyARC is procedurally generated, fully verifiable, and scalable, making it ideal for reinforcement learning (RL) pipelines. The generators incorporate progressive difficulty levels, enabling structured evaluation across task types and complexities. We benchmark state-of-the-art vision-language models and analyze their failure modes. We argue that EasyARC sets a new standard for evaluating true reasoning and test-time scaling capabilities in vision-language models. We open-source our benchmark dataset and evaluation code.
comment: CVPR2025 Workshop on Test-time Scaling for Computer Vision
☆ OV-MAP : Open-Vocabulary Zero-Shot 3D Instance Segmentation Map for Robots
We introduce OV-MAP, a novel approach to open-world 3D mapping for mobile robots by integrating open-features into 3D maps to enhance object recognition capabilities. A significant challenge arises when overlapping features from adjacent voxels reduce instance-level precision, as features spill over voxel boundaries, blending neighboring regions together. Our method overcomes this by employing a class-agnostic segmentation model to project 2D masks into 3D space, combined with a supplemented depth image created by merging raw and synthetic depth from point clouds. This approach, along with a 3D mask voting mechanism, enables accurate zero-shot 3D instance segmentation without relying on 3D supervised segmentation models. We assess the effectiveness of our method through comprehensive experiments on public datasets such as ScanNet200 and Replica, demonstrating superior zero-shot performance, robustness, and adaptability across diverse environments. Additionally, we conducted real-world experiments to demonstrate our method's adaptability and robustness when applied to diverse real-world environments.
comment: Accepted at IROS 2024
☆ Camera-based method for the detection of lifted truck axles using convolutional neural networks
The identification and classification of vehicles play a crucial role in various aspects of the control-sanction system. Current technologies such as weigh-in-motion (WIM) systems can classify most vehicle categories but they struggle to accurately classify vehicles with lifted axles. Moreover, very few commercial and technical methods exist for detecting lifted axles. In this paper, as part of the European project SETO (Smart Enforcement of Transport Operations), a method based on a convolutional neural network (CNN), namely YOLOv8s, was proposed for the detection of lifted truck axles in images of trucks captured by cameras placed perpendicular to the direction of traffic. The performance of the proposed method was assessed and it was found that it had a precision of 87%, a recall of 91.7%, and an inference time of 1.4 ms, which makes it well-suited for real time implantations. These results suggest that further improvements could be made, potentially by increasing the size of the datasets and/or by using various image augmentation methods.
☆ VFaith: Do Large Multimodal Models Really Reason on Seen Images Rather than Previous Memories?
Recent extensive works have demonstrated that by introducing long CoT, the capabilities of MLLMs to solve complex problems can be effectively enhanced. However, the reasons for the effectiveness of such paradigms remain unclear. It is challenging to analysis with quantitative results how much the model's specific extraction of visual cues and its subsequent so-called reasoning during inference process contribute to the performance improvements. Therefore, evaluating the faithfulness of MLLMs' reasoning to visual information is crucial. To address this issue, we first present a cue-driven automatic and controllable editing pipeline with the help of GPT-Image-1. It enables the automatic and precise editing of specific visual cues based on the instruction. Furthermore, we introduce VFaith-Bench, the first benchmark to evaluate MLLMs' visual reasoning capabilities and analyze the source of such capabilities with an emphasis on the visual faithfulness. Using the designed pipeline, we constructed comparative question-answer pairs by altering the visual cues in images that are crucial for solving the original reasoning problem, thereby changing the question's answer. By testing similar questions with images that have different details, the average accuracy reflects the model's visual reasoning ability, while the difference in accuracy before and after editing the test set images effectively reveals the relationship between the model's reasoning ability and visual perception. We further designed specific metrics to expose this relationship. VFaith-Bench includes 755 entries divided into five distinct subsets, along with an additional human-labeled perception task. We conducted in-depth testing and analysis of existing mainstream flagship models and prominent open-source model series/reasoning models on VFaith-Bench, further investigating the underlying factors of their reasoning capabilities.
☆ DaMO: A Data-Efficient Multimodal Orchestrator for Temporal Reasoning with Video LLMs
Large Language Models (LLMs) have recently been extended to the video domain, enabling sophisticated video-language understanding. However, existing Video LLMs often exhibit limitations in fine-grained temporal reasoning, restricting their ability to precisely attribute responses to specific video moments, especially under constrained supervision. We introduce DaMO, a data-efficient Video LLM explicitly designed for accurate temporal reasoning and multimodal understanding. At its core, the proposed Temporal-aware Fuseformer employs a hierarchical dual-stream architecture that progressively captures temporal dynamics within each modality and effectively fuses complementary visual and audio information. To further enhance computational efficiency, DaMO integrates a global residual that reduces spatial redundancy while preserving essential semantic details. We train DaMO via a structured four-stage progressive training paradigm, incrementally equipping the model with multimodal alignment, semantic grounding, and temporal reasoning capabilities. This work also contributes multiple datasets augmented from existing ones with GPT-generated temporally grounded QA pairs for tasks requiring temporal supervision. Comprehensive experiments on temporal grounding and video QA benchmarks demonstrate that DaMO consistently surpasses prior methods, particularly in tasks demanding precise temporal alignment and reasoning. Our work establishes a promising direction for data-efficient video-language modeling.
☆ EyeSim-VQA: A Free-Energy-Guided Eye Simulation Framework for Video Quality Assessment
Free-energy-guided self-repair mechanisms have shown promising results in image quality assessment (IQA), but remain under-explored in video quality assessment (VQA), where temporal dynamics and model constraints pose unique challenges. Unlike static images, video content exhibits richer spatiotemporal complexity, making perceptual restoration more difficult. Moreover, VQA systems often rely on pre-trained backbones, which limits the direct integration of enhancement modules without affecting model stability. To address these issues, we propose EyeSimVQA, a novel VQA framework that incorporates free-energy-based self-repair. It adopts a dual-branch architecture, with an aesthetic branch for global perceptual evaluation and a technical branch for fine-grained structural and semantic analysis. Each branch integrates specialized enhancement modules tailored to distinct visual inputs-resized full-frame images and patch-based fragments-to simulate adaptive repair behaviors. We also explore a principled strategy for incorporating high-level visual features without disrupting the original backbone. In addition, we design a biologically inspired prediction head that models sweeping gaze dynamics to better fuse global and local representations for quality prediction. Experiments on five public VQA benchmarks demonstrate that EyeSimVQA achieves competitive or superior performance compared to state-of-the-art methods, while offering improved interpretability through its biologically grounded design.
comment: This work has been submitted to the IEEE TCSVT for possible publication
☆ Linearly Solving Robust Rotation Estimation
Rotation estimation plays a fundamental role in computer vision and robot tasks, and extremely robust rotation estimation is significantly useful for safety-critical applications. Typically, estimating a rotation is considered a non-linear and non-convex optimization problem that requires careful design. However, in this paper, we provide some new perspectives that solving a rotation estimation problem can be reformulated as solving a linear model fitting problem without dropping any constraints and without introducing any singularities. In addition, we explore the dual structure of a rotation motion, revealing that it can be represented as a great circle on a quaternion sphere surface. Accordingly, we propose an easily understandable voting-based method to solve rotation estimation. The proposed method exhibits exceptional robustness to noise and outliers and can be computed in parallel with graphics processing units (GPUs) effortlessly. Particularly, leveraging the power of GPUs, the proposed method can obtain a satisfactory rotation solution for large-scale($10^6$) and severely corrupted (99$\%$ outlier ratio) rotation estimation problems under 0.5 seconds. Furthermore, to validate our theoretical framework and demonstrate the superiority of our proposed method, we conduct controlled experiments and real-world dataset experiments. These experiments provide compelling evidence supporting the effectiveness and robustness of our approach in solving rotation estimation problems.
comment: 23 pages, 18 figures
☆ CGVQM+D: Computer Graphics Video Quality Metric and Dataset
While existing video and image quality datasets have extensively studied natural videos and traditional distortions, the perception of synthetic content and modern rendering artifacts remains underexplored. We present a novel video quality dataset focused on distortions introduced by advanced rendering techniques, including neural supersampling, novel-view synthesis, path tracing, neural denoising, frame interpolation, and variable rate shading. Our evaluations show that existing full-reference quality metrics perform sub-optimally on these distortions, with a maximum Pearson correlation of 0.78. Additionally, we find that the feature space of pre-trained 3D CNNs aligns strongly with human perception of visual quality. We propose CGVQM, a full-reference video quality metric that significantly outperforms existing metrics while generating both per-pixel error maps and global quality scores. Our dataset and metric implementation is available at https://github.com/IntelLabs/CGVQM.
☆ FCA2: Frame Compression-Aware Autoencoder for Modular and Fast Compressed Video Super-Resolution
State-of-the-art (SOTA) compressed video super-resolution (CVSR) models face persistent challenges, including prolonged inference time, complex training pipelines, and reliance on auxiliary information. As video frame rates continue to increase, the diminishing inter-frame differences further expose the limitations of traditional frame-to-frame information exploitation methods, which are inadequate for addressing current video super-resolution (VSR) demands. To overcome these challenges, we propose an efficient and scalable solution inspired by the structural and statistical similarities between hyperspectral images (HSI) and video data. Our approach introduces a compression-driven dimensionality reduction strategy that reduces computational complexity, accelerates inference, and enhances the extraction of temporal information across frames. The proposed modular architecture is designed for seamless integration with existing VSR frameworks, ensuring strong adaptability and transferability across diverse applications. Experimental results demonstrate that our method achieves performance on par with, or surpassing, the current SOTA models, while significantly reducing inference time. By addressing key bottlenecks in CVSR, our work offers a practical and efficient pathway for advancing VSR technology. Our code will be publicly available at https://github.com/handsomewzy/FCA2.
comment: This work has been submitted to the IEEE TMM for possible publication
☆ Leveraging Satellite Image Time Series for Accurate Extreme Event Detection
Climate change is leading to an increase in extreme weather events, causing significant environmental damage and loss of life. Early detection of such events is essential for improving disaster response. In this work, we propose SITS-Extreme, a novel framework that leverages satellite image time series to detect extreme events by incorporating multiple pre-disaster observations. This approach effectively filters out irrelevant changes while isolating disaster-relevant signals, enabling more accurate detection. Extensive experiments on both real-world and synthetic datasets validate the effectiveness of SITS-Extreme, demonstrating substantial improvements over widely used strong bi-temporal baselines. Additionally, we examine the impact of incorporating more timesteps, analyze the contribution of key components in our framework, and evaluate its performance across different disaster types, offering valuable insights into its scalability and applicability for large-scale disaster monitoring.
comment: Accepted to the WACV 2025 Workshop on GeoCV. Code, datasets, and model checkpoints available at: https://github.com/hfangcat/SITS-ExtremeEvents
☆ FIMA-Q: Post-Training Quantization for Vision Transformers by Fisher Information Matrix Approximation CVPR 2025
Post-training quantization (PTQ) has stood out as a cost-effective and promising model compression paradigm in recent years, as it avoids computationally intensive model retraining. Nevertheless, current PTQ methods for Vision Transformers (ViTs) still suffer from significant accuracy degradation, especially under low-bit quantization. To address these shortcomings, we analyze the prevailing Hessian-guided quantization loss, and uncover certain limitations of conventional Hessian approximations. By following the block-wise reconstruction framework, we propose a novel PTQ method for ViTs, dubbed FIMA-Q. Specifically, we firstly establish the connection between KL divergence and FIM, which enables fast computation of the quantization loss during reconstruction. We further propose an efficient FIM approximation method, namely DPLR-FIM, by employing the diagonal plus low-rank principle, and formulate the ultimate quantization loss. Our extensive experiments, conducted across various vision tasks with representative ViT-based architectures on public datasets, demonstrate that our method substantially promotes the accuracy compared to the state-of-the-art approaches, especially in the case of low-bit quantization. The source code is available at https://github.com/ShiheWang/FIMA-Q.
comment: CVPR 2025 Highlight
☆ GNSS-inertial state initialization by distance residuals
Initializing the state of a sensorized platform can be challenging, as a limited set of initial measurements often carry limited information, leading to poor initial estimates that may converge to local minima during non-linear optimization. This paper proposes a novel GNSS-inertial initialization strategy that delays the use of global GNSS measurements until sufficient information is available to accurately estimate the transformation between the GNSS and inertial frames. Instead, the method initially relies on GNSS relative distance residuals. To determine the optimal moment for switching to global measurements, we introduce a criterion based on the evolution of the Hessian matrix singular values. Experiments on the EuRoC and GVINS datasets show that our approach consistently outperforms the naive strategy of using global GNSS data from the start, yielding more accurate and robust initializations.
comment: 8 pages, 8 figures, RA-L submission
☆ Manager: Aggregating Insights from Unimodal Experts in Two-Tower VLMs and MLLMs
Two-Tower Vision--Language Models (VLMs) have demonstrated strong performance across various downstream VL tasks. While BridgeTower further enhances performance by building bridges between encoders, it \textit{(i)} suffers from ineffective layer-by-layer utilization of unimodal representations, \textit{(ii)} restricts the flexible exploitation of different levels of unimodal semantic knowledge, and \textit{(iii)} is limited to the evaluation on traditional low-resolution datasets only with the Two-Tower VLM architecture. In this work, we propose Manager, a lightweight, efficient and effective plugin that adaptively aggregates insights from different levels of pre-trained unimodal experts to facilitate more comprehensive VL alignment and fusion. First, under the Two-Tower VLM architecture, we introduce ManagerTower, a novel VLM that introduces the manager in each cross-modal layer. Whether with or without VL pre-training, ManagerTower outperforms previous strong baselines and achieves superior performance on 4 downstream VL tasks. Moreover, we extend our exploration to the latest Multimodal Large Language Model (MLLM) architecture. We demonstrate that LLaVA-OV-Manager significantly boosts the zero-shot performance of LLaVA-OV across different categories of capabilities, images, and resolutions on 20 downstream datasets, whether the multi-grid algorithm is enabled or not. In-depth analysis reveals that both our manager and the multi-grid algorithm can be viewed as a plugin that improves the visual representation by capturing more diverse visual details from two orthogonal perspectives (depth and width). Their synergy can mitigate the semantic ambiguity caused by the multi-grid algorithm and further improve performance. Code and models are available at https://github.com/LooperXX/ManagerTower.
comment: Accepted by IEEE Transactions on Circuits and Systems for Video Technology (TCSVT). June 2025. DOI: https://doi.org/10.1109/TCSVT.2025.3578266
☆ Taming Stable Diffusion for Computed Tomography Blind Super-Resolution
High-resolution computed tomography (CT) imaging is essential for medical diagnosis but requires increased radiation exposure, creating a critical trade-off between image quality and patient safety. While deep learning methods have shown promise in CT super-resolution, they face challenges with complex degradations and limited medical training data. Meanwhile, large-scale pre-trained diffusion models, particularly Stable Diffusion, have demonstrated remarkable capabilities in synthesizing fine details across various vision tasks. Motivated by this, we propose a novel framework that adapts Stable Diffusion for CT blind super-resolution. We employ a practical degradation model to synthesize realistic low-quality images and leverage a pre-trained vision-language model to generate corresponding descriptions. Subsequently, we perform super-resolution using Stable Diffusion with a specialized controlling strategy, conditioned on both low-resolution inputs and the generated text descriptions. Extensive experiments show that our method outperforms existing approaches, demonstrating its potential for achieving high-quality CT imaging at reduced radiation doses. Our code will be made publicly available.
☆ Preserving Clusters in Prompt Learning for Unsupervised Domain Adaptation
Recent approaches leveraging multi-modal pre-trained models like CLIP for Unsupervised Domain Adaptation (UDA) have shown significant promise in bridging domain gaps and improving generalization by utilizing rich semantic knowledge and robust visual representations learned through extensive pre-training on diverse image-text datasets. While these methods achieve state-of-the-art performance across benchmarks, much of the improvement stems from base pseudo-labels (CLIP zero-shot predictions) and self-training mechanisms. Thus, the training mechanism exhibits a key limitation wherein the visual embedding distribution in target domains can deviate from the visual embedding distribution in the pre-trained model, leading to misguided signals from class descriptions. This work introduces a fresh solution to reinforce these pseudo-labels and facilitate target-prompt learning, by exploiting the geometry of visual and text embeddings - an aspect that is overlooked by existing methods. We first propose to directly leverage the reference predictions (from source prompts) based on the relationship between source and target visual embeddings. We later show that there is a strong clustering behavior observed between visual and text embeddings in pre-trained multi-modal models. Building on optimal transport theory, we transform this insight into a novel strategy to enforce the clustering property in text embeddings, further enhancing the alignment in the target domain. Our experiments and ablation studies validate the effectiveness of the proposed approach, demonstrating superior performance and improved quality of target prompts in terms of representation.
☆ Composite Data Augmentations for Synthetic Image Detection Against Real-World Perturbations
The advent of accessible Generative AI tools enables anyone to create and spread synthetic images on social media, often with the intention to mislead, thus posing a significant threat to online information integrity. Most existing Synthetic Image Detection (SID) solutions struggle on generated images sourced from the Internet, as these are often altered by compression and other operations. To address this, our research enhances SID by exploring data augmentation combinations, leveraging a genetic algorithm for optimal augmentation selection, and introducing a dual-criteria optimization approach. These methods significantly improve model performance under real-world perturbations. Our findings provide valuable insights for developing detection models capable of identifying synthetic images across varying qualities and transformations, with the best-performing model achieving a mean average precision increase of +22.53% compared to models without augmentations. The implementation is available at github.com/efthimia145/sid-composite-data-augmentation.
comment: EUSIPCO 2025 (33rd European Signal Processing Conference)
☆ Environmental Change Detection: Toward a Practical Task of Scene Change Detection
Humans do not memorize everything. Thus, humans recognize scene changes by exploring the past images. However, available past (i.e., reference) images typically represent nearby viewpoints of the present (i.e., query) scene, rather than the identical view. Despite this practical limitation, conventional Scene Change Detection (SCD) has been formalized under an idealized setting in which reference images with matching viewpoints are available for every query. In this paper, we push this problem toward a practical task and introduce Environmental Change Detection (ECD). A key aspect of ECD is to avoid unrealistically aligned query-reference pairs and rely solely on environmental cues. Inspired by real-world practices, we provide these cues through a large-scale database of uncurated images. To address this new task, we propose a novel framework that jointly understands spatial environments and detects changes. The main idea is that matching at the same spatial locations between a query and a reference may lead to a suboptimal solution due to viewpoint misalignment and limited field-of-view (FOV) coverage. We deal with this limitation by leveraging multiple reference candidates and aggregating semantically rich representations for change detection. We evaluate our framework on three standard benchmark sets reconstructed for ECD, and significantly outperform a naive combination of state-of-the-art methods while achieving comparable performance to the oracle setting. The code will be released upon acceptance.
comment: Preprint. Under review
☆ FAME: A Lightweight Spatio-Temporal Network for Model Attribution of Face-Swap Deepfakes
The widespread emergence of face-swap Deepfake videos poses growing risks to digital security, privacy, and media integrity, necessitating effective forensic tools for identifying the source of such manipulations. Although most prior research has focused primarily on binary Deepfake detection, the task of model attribution -- determining which generative model produced a given Deepfake -- remains underexplored. In this paper, we introduce FAME (Fake Attribution via Multilevel Embeddings), a lightweight and efficient spatio-temporal framework designed to capture subtle generative artifacts specific to different face-swap models. FAME integrates spatial and temporal attention mechanisms to improve attribution accuracy while remaining computationally efficient. We evaluate our model on three challenging and diverse datasets: Deepfake Detection and Manipulation (DFDM), FaceForensics++, and FakeAVCeleb. Results show that FAME consistently outperforms existing methods in both accuracy and runtime, highlighting its potential for deployment in real-world forensic and information security applications.
☆ AutoGen Driven Multi Agent Framework for Iterative Crime Data Analysis and Prediction
This paper introduces LUCID-MA (Learning and Understanding Crime through Dialogue of Multiple Agents), an innovative AI powered framework where multiple AI agents collaboratively analyze and understand crime data. Our system that consists of three core components: an analysis assistant that highlights spatiotemporal crime patterns, a feedback component that reviews and refines analytical results and a prediction component that forecasts future crime trends. With a well-designed prompt and the LLaMA-2-13B-Chat-GPTQ model, it runs completely offline and allows the agents undergo self-improvement through 100 rounds of communication with less human interaction. A scoring function is incorporated to evaluate agent's performance, providing visual plots to track learning progress. This work demonstrates the potential of AutoGen-style agents for autonomous, scalable, and iterative analysis in social science domains maintaining data privacy through offline execution.
☆ On the Natural Robustness of Vision-Language Models Against Visual Perception Attacks in Autonomous Driving
Autonomous vehicles (AVs) rely on deep neural networks (DNNs) for critical tasks such as traffic sign recognition (TSR), automated lane centering (ALC), and vehicle detection (VD). However, these models are vulnerable to attacks that can cause misclassifications and compromise safety. Traditional defense mechanisms, including adversarial training, often degrade benign accuracy and fail to generalize against unseen attacks. In this work, we introduce Vehicle Vision Language Models (V2LMs), fine-tuned vision-language models specialized for AV perception. Our findings demonstrate that V2LMs inherently exhibit superior robustness against unseen attacks without requiring adversarial training, maintaining significantly higher accuracy than conventional DNNs under adversarial conditions. We evaluate two deployment strategies: Solo Mode, where individual V2LMs handle specific perception tasks, and Tandem Mode, where a single unified V2LM is fine-tuned for multiple tasks simultaneously. Experimental results reveal that DNNs suffer performance drops of 33% to 46% under attacks, whereas V2LMs maintain adversarial accuracy with reductions of less than 8% on average. The Tandem Mode further offers a memory-efficient alternative while achieving comparable robustness to Solo Mode. We also explore integrating V2LMs as parallel components to AV perception to enhance resilience against adversarial threats. Our results suggest that V2LMs offer a promising path toward more secure and resilient AV perception systems.
♻ ☆ YOLO advances to its genesis: a decadal and comprehensive review of the You Only Look Once (YOLO) series
This review systematically examines the progression of the You Only Look Once (YOLO) object detection algorithms from YOLOv1 to the recently unveiled YOLOv12. Employing a reverse chronological analysis, this study examines the advancements introduced by YOLO algorithms, beginning with YOLOv12 and progressing through YOLO11 (or YOLOv11), YOLOv10, YOLOv9, YOLOv8, and subsequent versions to explore each version's contributions to enhancing speed, detection accuracy, and computational efficiency in real-time object detection. Additionally, this study reviews the alternative versions derived from YOLO architectural advancements of YOLO-NAS, YOLO-X, YOLO-R, DAMO-YOLO, and Gold-YOLO. Moreover, the study highlights the transformative impact of YOLO models across five critical application areas: autonomous vehicles and traffic safety, healthcare and medical imaging, industrial manufacturing, surveillance and security, and agriculture. By detailing the incremental technological advancements in subsequent YOLO versions, this review chronicles the evolution of YOLO, and discusses the challenges and limitations in each of the earlier versions. The evolution signifies a path towards integrating YOLO with multimodal, context-aware, and Artificial General Intelligence (AGI) systems for the next YOLO decade, promising significant implications for future developments in AI-driven applications. YOLO Review, YOLO Advances, YOLOv13, YOLOv14, YOLOv15, YOLOv16, YOLOv17, YOLOv18, YOLOv19, YOLOv20, YOLO review, YOLO Object Detection
comment: Published in Artificial Intelligence Review as https://doi.org/10.1007/s10462-025-11253-3
♻ ☆ SG2VID: Scene Graphs Enable Fine-Grained Control for Video Synthesis
Surgical simulation plays a pivotal role in training novice surgeons, accelerating their learning curve and reducing intra-operative errors. However, conventional simulation tools fall short in providing the necessary photorealism and the variability of human anatomy. In response, current methods are shifting towards generative model-based simulators. Yet, these approaches primarily focus on using increasingly complex conditioning for precise synthesis while neglecting the fine-grained human control aspect. To address this gap, we introduce SG2VID, the first diffusion-based video model that leverages Scene Graphs for both precise video synthesis and fine-grained human control. We demonstrate SG2VID's capabilities across three public datasets featuring cataract and cholecystectomy surgery. While SG2VID outperforms previous methods both qualitatively and quantitatively, it also enables precise synthesis, providing accurate control over tool and anatomy's size and movement, entrance of new tools, as well as the overall scene layout. We qualitatively motivate how SG2VID can be used for generative augmentation and present an experiment demonstrating its ability to improve a downstream phase detection task when the training set is extended with our synthetic videos. Finally, to showcase SG2VID's ability to retain human control, we interact with the Scene Graphs to generate new video samples depicting major yet rare intra-operative irregularities.
♻ ☆ New Dataset and Methods for Fine-Grained Compositional Referring Expression Comprehension via Specialist-MLLM Collaboration
Referring Expression Comprehension (REC) is a foundational cross-modal task that evaluates the interplay of language understanding, image comprehension, and language-to-image grounding. It serves as an essential testing ground for Multimodal Large Language Models (MLLMs). To advance this field, we introduced a new REC dataset in our previous conference paper, characterized by two key features. First, it is designed with controllable difficulty levels, requiring multi-level fine-grained reasoning across object categories, attributes, and multi-hop relationships. Second, it incorporates negative text and images generated through fine-grained editing and augmentation, explicitly testing a model's ability to reject scenarios where the target object is absent, an often overlooked yet critical challenge in existing datasets. In this extended work, we propose two new methods to tackle the challenges of fine-grained REC by combining the strengths of Specialist Models and MLLMs. The first method adaptively assigns simple cases to faster, lightweight models and reserves complex ones for powerful MLLMs, balancing accuracy and efficiency. The second method lets a specialist generate a set of possible object regions, and the MLLM selects the most plausible one using its reasoning ability. These collaborative strategies lead to significant improvements on our dataset and other challenging benchmarks. Our results show that combining specialized and general-purpose models offers a practical path toward solving complex real-world vision-language tasks. Our dataset and code are available at https://github.com/sleepyshep/FineCops-Ref.
comment: Accepted by TPAMI 2025
♻ ☆ Manipulating Feature Visualizations with Gradient Slingshots
Feature Visualization (FV) is a widely used technique for interpreting the concepts learned by Deep Neural Networks (DNNs), which synthesizes input patterns that maximally activate a given feature. Despite its popularity, the trustworthiness of FV explanations has received limited attention. In this paper, we introduce a novel method, Gradient Slingshots, that enables manipulation of FV without modifying the model architecture or significantly degrading its performance. By shaping new trajectories in the off-distribution regions of the activation landscape of a feature, we coerce the optimization process to converge in a predefined visualization. We evaluate our approach on several DNN architectures, demonstrating its ability to replace faithfuls FV with arbitrary targets. These results expose a critical vulnerability: auditors relying solely on FV may accept entirely fabricated explanations. To mitigate this risk, we propose a straightforward defense and quantitatively demonstrate its effectiveness.
♻ ☆ 3D-WAG: Hierarchical Wavelet-Guided Autoregressive Generation for High-Fidelity 3D Shapes
Autoregressive (AR) models have achieved remarkable success in natural language and image generation, but their application to 3D shape modeling remains largely unexplored. Unlike diffusion models, AR models enable more efficient and controllable generation with faster inference times, making them especially suitable for data-intensive domains. Traditional 3D generative models using AR approaches often rely on ``next-token" predictions at the voxel or point level. While effective for certain applications, these methods can be restrictive and computationally expensive when dealing with large-scale 3D data. To tackle these challenges, we introduce 3D-WAG, an AR model for 3D implicit distance fields that can perform unconditional shape generation, class-conditioned and also text-conditioned shape generation. Our key idea is to encode shapes as multi-scale wavelet token maps and use a Transformer to predict the ``next higher-resolution token map" in an autoregressive manner. By redefining 3D AR generation task as ``next-scale" prediction, we reduce the computational cost of generation compared to traditional ``next-token" prediction models, while preserving essential geometric details of 3D shapes in a more structured and hierarchical manner. We evaluate 3D-WAG to showcase its benefit by quantitative and qualitative comparisons with state-of-the-art methods on widely used benchmarks. Our results show 3D-WAG achieves superior performance in key metrics like Coverage and MMD, generating high-fidelity 3D shapes that closely match the real data distribution.
♻ ☆ Holstein-Friesian Re-Identification using Multiple Cameras and Self-Supervision on a Working Farm
We present MultiCamCows2024, a farm-scale image dataset filmed across multiple cameras for the biometric identification of individual Holstein-Friesian cattle exploiting their unique black and white coat-patterns. Captured by three ceiling-mounted visual sensors covering adjacent barn areas over seven days on a working dairy farm, the dataset comprises 101,329 images of 90 cows, plus underlying original CCTV footage. The dataset is provided with full computer vision recognition baselines, that is both a supervised and self-supervised learning framework for individual cow identification trained on cattle tracklets. We report a performance above 96% single image identification accuracy from the dataset and demonstrate that combining data from multiple cameras during learning enhances self-supervised identification. We show that our framework enables automatic cattle identification, barring only the simple human verification of tracklet integrity during data collection. Crucially, our study highlights that multi-camera, supervised and self-supervised components in tandem not only deliver highly accurate individual cow identification, but also achieve this efficiently with no labelling of cattle identities by humans. We argue that this improvement in efficacy has practical implications for livestock management, behaviour analysis, and agricultural monitoring. For reproducibility and practical ease of use, we publish all key software and code including re-identification components and the species detector with this paper, available at https://tinyurl.com/MultiCamCows2024.
comment: 24 pages, 10 figures
♻ ☆ CheXGenBench: A Unified Benchmark For Fidelity, Privacy and Utility of Synthetic Chest Radiographs
We introduce CheXGenBench, a rigorous and multifaceted evaluation framework for synthetic chest radiograph generation that simultaneously assesses fidelity, privacy risks, and clinical utility across state-of-the-art text-to-image generative models. Despite rapid advancements in generative AI for real-world imagery, medical domain evaluations have been hindered by methodological inconsistencies, outdated architectural comparisons, and disconnected assessment criteria that rarely address the practical clinical value of synthetic samples. CheXGenBench overcomes these limitations through standardised data partitioning and a unified evaluation protocol comprising over 20 quantitative metrics that systematically analyse generation quality, potential privacy vulnerabilities, and downstream clinical applicability across 11 leading text-to-image architectures. Our results reveal critical inefficiencies in the existing evaluation protocols, particularly in assessing generative fidelity, leading to inconsistent and uninformative comparisons. Our framework establishes a standardised benchmark for the medical AI community, enabling objective and reproducible comparisons while facilitating seamless integration of both existing and future generative models. Additionally, we release a high-quality, synthetic dataset, SynthCheX-75K, comprising 75K radiographs generated by the top-performing model (Sana 0.6B) in our benchmark to support further research in this critical domain. Through CheXGenBench, we establish a new state-of-the-art and release our framework, models, and SynthCheX-75K dataset at https://raman1121.github.io/CheXGenBench/
♻ ☆ SAP-Bench: Benchmarking Multimodal Large Language Models in Surgical Action Planning
Effective evaluation is critical for driving advancements in MLLM research. The surgical action planning (SAP) task, which aims to generate future action sequences from visual inputs, demands precise and sophisticated analytical capabilities. Unlike mathematical reasoning, surgical decision-making operates in life-critical domains and requires meticulous, verifiable processes to ensure reliability and patient safety. This task demands the ability to distinguish between atomic visual actions and coordinate complex, long-horizon procedures, capabilities that are inadequately evaluated by current benchmarks. To address this gap, we introduce SAP-Bench, a large-scale, high-quality dataset designed to enable multimodal large language models (MLLMs) to perform interpretable surgical action planning. Our SAP-Bench benchmark, derived from the cholecystectomy procedures context with the mean duration of 1137.5s, and introduces temporally-grounded surgical action annotations, comprising the 1,226 clinically validated action clips (mean duration: 68.7s) capturing five fundamental surgical actions across 74 procedures. The dataset provides 1,152 strategically sampled current frames, each paired with the corresponding next action as multimodal analysis anchors. We propose the MLLM-SAP framework that leverages MLLMs to generate next action recommendations from the current surgical scene and natural language instructions, enhanced with injected surgical domain knowledge. To assess our dataset's effectiveness and the broader capabilities of current models, we evaluate seven state-of-the-art MLLMs (e.g., OpenAI-o1, GPT-4o, QwenVL2.5-72B, Claude-3.5-Sonnet, GeminiPro2.5, Step-1o, and GLM-4v) and reveal critical gaps in next action prediction performance.
comment: The authors could not reach a consensus on the final version of this paper, necessitating its withdrawal
♻ ☆ Real-time Seafloor Segmentation and Mapping
Posidonia oceanica meadows are a species of seagrass highly dependent on rocks for their survival and conservation. In recent years, there has been a concerning global decline in this species, emphasizing the critical need for efficient monitoring and assessment tools. While deep learning-based semantic segmentation and visual automated monitoring systems have shown promise in a variety of applications, their performance in underwater environments remains challenging due to complex water conditions and limited datasets. This paper introduces a framework that combines machine learning and computer vision techniques to enable an autonomous underwater vehicle (AUV) to inspect the boundaries of Posidonia oceanica meadows autonomously. The framework incorporates an image segmentation module using an existing Mask R-CNN model and a strategy for Posidonia oceanica meadow boundary tracking. Furthermore, a new class dedicated to rocks is introduced to enhance the existing model, aiming to contribute to a comprehensive monitoring approach and provide a deeper understanding of the intricate interactions between the meadow and its surrounding environment. The image segmentation model is validated using real underwater images, while the overall inspection framework is evaluated in a realistic simulation environment, replicating actual monitoring scenarios with real underwater images. The results demonstrate that the proposed framework enables the AUV to autonomously accomplish the main tasks of underwater inspection and segmentation of rocks. Consequently, this work holds significant potential for the conservation and protection of marine environments, providing valuable insights into the status of Posidonia oceanica meadows and supporting targeted preservation efforts
♻ ☆ HandS3C: 3D Hand Mesh Reconstruction with State Space Spatial Channel Attention from RGB images
Reconstructing the hand mesh from one single RGB image is a challenging task because hands are often occluded by other objects. Most previous works attempt to explore more additional information and adopt attention mechanisms for improving 3D reconstruction performance, while it would increase computational complexity simultaneously. To achieve a performance-reserving architecture with high computational efficiency, in this work, we propose a simple but effective 3D hand mesh reconstruction network (i.e., HandS3C), which is the first time to incorporate state space model into the task of hand mesh reconstruction. In the network, we design a novel state-space spatial-channel attention module that extends the effective receptive field, extracts hand features in the spatial dimension, and enhances regional features of hands in the channel dimension. This helps to reconstruct a complete and detailed hand mesh. Extensive experiments conducted on well-known datasets facing heavy occlusions (such as FREIHAND, DEXYCB, and HO3D) demonstrate that our proposed HandS3C achieves state-of-the-art performance while maintaining a minimal parameters.
comment: 5 pages, 3 figures
♻ ☆ Scaling Human Activity Recognition: A Comparative Evaluation of Synthetic Data Generation and Augmentation Techniques
Human activity recognition (HAR) is often limited by the scarcity of labeled datasets due to the high cost and complexity of real-world data collection. To mitigate this, recent work has explored generating virtual inertial measurement unit (IMU) data via cross-modality transfer. While video-based and language-based pipelines have each shown promise, they differ in assumptions and computational cost. Moreover, their effectiveness relative to traditional sensor-level data augmentation remains unclear. In this paper, we present a direct comparison between these two virtual IMU generation approaches against classical data augmentation techniques. We construct a large-scale virtual IMU dataset spanning 100 diverse activities from Kinetics-400 and simulate sensor signals at 22 body locations. The three data generation strategies are evaluated on benchmark HAR datasets (UTD-MHAD, PAMAP2, HAD-AW) using four popular models. Results show that virtual IMU data significantly improves performance over real or augmented data alone, particularly under limited-data conditions. We offer practical guidance on choosing data generation strategies and highlight the distinct advantages and disadvantages of each approach.
♻ ☆ PATS: Proficiency-Aware Temporal Sampling for Multi-View Sports Skill Assessment
Automated sports skill assessment requires capturing fundamental movement patterns that distinguish expert from novice performance, yet current video sampling methods disrupt the temporal continuity essential for proficiency evaluation. To this end, we introduce Proficiency-Aware Temporal Sampling (PATS), a novel sampling strategy that preserves complete fundamental movements within continuous temporal segments for multi-view skill assessment. PATS adaptively segments videos to ensure each analyzed portion contains full execution of critical performance components, repeating this process across multiple segments to maximize information coverage while maintaining temporal coherence. Evaluated on the EgoExo4D benchmark with SkillFormer, PATS surpasses the state-of-the-art accuracy across all viewing configurations (+0.65% to +3.05%) and delivers substantial gains in challenging domains (+26.22% bouldering, +2.39% music, +1.13% basketball). Systematic analysis reveals that PATS successfully adapts to diverse activity characteristics-from high-frequency sampling for dynamic sports to fine-grained segmentation for sequential skills-demonstrating its effectiveness as an adaptive approach to temporal sampling that advances automated skill assessment for real-world applications.
♻ ☆ SkillFormer: Unified Multi-View Video Understanding for Proficiency Estimation
Assessing human skill levels in complex activities is a challenging problem with applications in sports, rehabilitation, and training. In this work, we present SkillFormer, a parameter-efficient architecture for unified multi-view proficiency estimation from egocentric and exocentric videos. Building on the TimeSformer backbone, SkillFormer introduces a CrossViewFusion module that fuses view-specific features using multi-head cross-attention, learnable gating, and adaptive self-calibration. We leverage Low-Rank Adaptation to fine-tune only a small subset of parameters, significantly reducing training costs. In fact, when evaluated on the EgoExo4D dataset, SkillFormer achieves state-of-the-art accuracy in multi-view settings while demonstrating remarkable computational efficiency, using 4.5x fewer parameters and requiring 3.75x fewer training epochs than prior baselines. It excels in multiple structured tasks, confirming the value of multi-view integration for fine-grained skill assessment.
♻ ☆ Vision-Language Models for Edge Networks: A Comprehensive Survey
Vision Large Language Models (VLMs) combine visual understanding with natural language processing, enabling tasks like image captioning, visual question answering, and video analysis. While VLMs show impressive capabilities across domains such as autonomous vehicles, smart surveillance, and healthcare, their deployment on resource-constrained edge devices remains challenging due to processing power, memory, and energy limitations. This survey explores recent advancements in optimizing VLMs for edge environments, focusing on model compression techniques, including pruning, quantization, knowledge distillation, and specialized hardware solutions that enhance efficiency. We provide a detailed discussion of efficient training and fine-tuning methods, edge deployment challenges, and privacy considerations. Additionally, we discuss the diverse applications of lightweight VLMs across healthcare, environmental monitoring, and autonomous systems, illustrating their growing impact. By highlighting key design strategies, current challenges, and offering recommendations for future directions, this survey aims to inspire further research into the practical deployment of VLMs, ultimately making advanced AI accessible in resource-limited settings.
♻ ☆ Foundation Models in Medical Imaging -- A Review and Outlook
Foundation models (FMs) are changing the way medical images are analyzed by learning from large collections of unlabeled data. Instead of relying on manually annotated examples, FMs are pre-trained to learn general-purpose visual features that can later be adapted to specific clinical tasks with little additional supervision. In this review, we examine how FMs are being developed and applied in pathology, radiology, and ophthalmology, drawing on evidence from over 150 studies. We explain the core components of FM pipelines, including model architectures, self-supervised learning methods, and strategies for downstream adaptation. We also review how FMs are being used in each imaging domain and compare design choices across applications. Finally, we discuss key challenges and open questions to guide future research.
♻ ☆ Beyond the Visible: Multispectral Vision-Language Learning for Earth Observation
Vision-language models for Earth observation (EO) typically rely on the visual spectrum of data as the only model input, thus failing to leverage the rich spectral information available in the multispectral channels recorded by satellites. Therefore, we introduce Llama3-MS-CLIP, the first vision-language model pre-trained with contrastive learning on a large-scale multispectral dataset and report on the performance gains due to the extended spectral range. Furthermore, we present the largest-to-date image-caption dataset for multispectral data, consisting of one million Sentinel-2 samples and corresponding textual descriptions generated using Llama3-LLaVA-Next and Overture Maps data. We develop a scalable captioning pipeline, which is validated by domain experts. We evaluate Llama3-MS-CLIP on multispectral zero-shot image classification and retrieval using three datasets of varying complexity. Our results demonstrate that Llama3-MS-CLIP significantly outperforms other RGB-based approaches, improving classification accuracy by +6.77% on average and retrieval performance by +4.63% mAP compared to the second-best model. Our results emphasize the relevance of multispectral vision-language learning. The image-caption dataset, code, and model weights are available at https://github.com/IBM/MS-CLIP.
♻ ☆ Fine-tune Smarter, Not Harder: Parameter-Efficient Fine-Tuning for Geospatial Foundation Models
Earth observation (EO) is crucial for monitoring environmental changes, responding to disasters, and managing natural resources. In this context, foundation models facilitate remote sensing image analysis to retrieve relevant geoinformation accurately and efficiently. However, as these models grow in size, fine-tuning becomes increasingly challenging due to the associated computational resources and costs, limiting their accessibility and scalability. Furthermore, full fine-tuning can lead to forgetting pre-trained features and even degrade model generalization. To address this, Parameter-Efficient Fine-Tuning (PEFT) techniques offer a promising solution. In this paper, we conduct extensive experiments with various foundation model architectures and PEFT techniques to evaluate their effectiveness on five different EO datasets. Our results provide a comprehensive comparison, offering insights into when and how PEFT methods support the adaptation of pre-trained geospatial models. We demonstrate that PEFT techniques match or even exceed full fine-tuning performance and enhance model generalisation to unseen geographic regions, while reducing training time and memory requirements. Additional experiments investigate the effect of architecture choices such as the decoder type or the use of metadata, suggesting UNet decoders and fine-tuning without metadata as the recommended configuration. We have integrated all evaluated foundation models and techniques into the open-source package TerraTorch to support quick, scalable, and cost-effective model adaptation.
comment: Code available at https://github.com/IBM/peft-geofm
♻ ☆ Consistent Video Editing as Flow-Driven Image-to-Video Generation
With the prosper of video diffusion models, down-stream applications like video editing have been significantly promoted without consuming much computational cost. One particular challenge in this task lies at the motion transfer process from the source video to the edited one, where it requires the consideration of the shape deformation in between, meanwhile maintaining the temporal consistency in the generated video sequence. However, existing methods fail to model complicated motion patterns for video editing, and are fundamentally limited to object replacement, where tasks with non-rigid object motions like multi-object and portrait editing are largely neglected. In this paper, we observe that optical flows offer a promising alternative in complex motion modeling, and present FlowV2V to re-investigate video editing as a task of flow-driven Image-to-Video (I2V) generation. Specifically, FlowV2V decomposes the entire pipeline into first-frame editing and conditional I2V generation, and simulates pseudo flow sequence that aligns with the deformed shape, thus ensuring the consistency during editing. Experimental results on DAVIS-EDIT with improvements of 13.67% and 50.66% on DOVER and warping error illustrate the superior temporal consistency and sample quality of FlowV2V compared to existing state-of-the-art ones. Furthermore, we conduct comprehensive ablation studies to analyze the internal functionalities of the first-frame paradigm and flow alignment in the proposed method.
comment: 16 pages, 12 figures
♻ ☆ PiPViT: Patch-based Visual Interpretable Prototypes for Retinal Image Analysis
Background and Objective: Prototype-based methods improve interpretability by learning fine-grained part-prototypes; however, their visualization in the input pixel space is not always consistent with human-understandable biomarkers. In addition, well-known prototype-based approaches typically learn extremely granular prototypes that are less interpretable in medical imaging, where both the presence and extent of biomarkers and lesions are critical. Methods: To address these challenges, we propose PiPViT (Patch-based Visual Interpretable Prototypes), an inherently interpretable prototypical model for image recognition. Leveraging a vision transformer (ViT), PiPViT captures long-range dependencies among patches to learn robust, human-interpretable prototypes that approximate lesion extent only using image-level labels. Additionally, PiPViT benefits from contrastive learning and multi-resolution input processing, which enables effective localization of biomarkers across scales. Results: We evaluated PiPViT on retinal OCT image classification across four datasets, where it achieved competitive quantitative performance compared to state-of-the-art methods while delivering more meaningful explanations. Moreover, quantitative evaluation on a hold-out test set confirms that the learned prototypes are semantically and clinically relevant. We believe PiPViT can transparently explain its decisions and assist clinicians in understanding diagnostic outcomes. Github page: https://github.com/marziehoghbaie/PiPViT
♻ ☆ Clustering is back: Reaching state-of-the-art LiDAR instance segmentation without training
Panoptic segmentation of LiDAR point clouds is fundamental to outdoor scene understanding, with autonomous driving being a primary application. While state-of-the-art approaches typically rely on end-to-end deep learning architectures and extensive manual annotations of instances, the significant cost and time investment required for labeling large-scale point cloud datasets remains a major bottleneck in this field. In this work, we demonstrate that competitive panoptic segmentation can be achieved using only semantic labels, with instances predicted without any training or annotations. Our method outperforms state-of-the-art supervised methods on standard benchmarks including SemanticKITTI and nuScenes, and outperforms every publicly available method on SemanticKITTI as a drop-in instance head replacement, while running in real-time on a single-threaded CPU and requiring no instance labels. It is fully explainable, and requires no learning or parameter tuning. Alpine combined with state-of-the-art semantic segmentation ranks first on the official panoptic segmentation leaderboard of SemanticKITTI. Code is available at https://github.com/valeoai/Alpine/
comment: Alpine ranks first in the leaderboard of SemanticKITTI's panoptic segmentation
♻ ☆ Scaling Prompt Instructed Zero Shot Composed Image Retrieval with Image-Only Data
Composed Image Retrieval (CIR) is the task of retrieving images matching a reference image augmented with a text, where the text describes changes to the reference image in natural language. Traditionally, models designed for CIR have relied on triplet data containing a reference image, reformulation text, and a target image. However, curating such triplet data often necessitates human intervention, leading to prohibitive costs. This challenge has hindered the scalability of CIR model training even with the availability of abundant unlabeled data. With the recent advances in foundational models, we advocate a shift in the CIR training paradigm where human annotations can be efficiently replaced by large language models (LLMs). Specifically, we demonstrate the capability of large captioning and language models in efficiently generating data for CIR only relying on unannotated image collections. Additionally, we introduce an embedding reformulation architecture that effectively combines image and text modalities. Our model, named InstructCIR, outperforms state-of-the-art methods in zero-shot composed image retrieval on CIRR and FashionIQ datasets. Furthermore, we demonstrate that by increasing the amount of generated data, our zero-shot model gets closer to the performance of supervised baselines.
♻ ☆ SemanticSplat: Feed-Forward 3D Scene Understanding with Language-Aware Gaussian Fields
Holistic 3D scene understanding, which jointly models geometry, appearance, and semantics, is crucial for applications like augmented reality and robotic interaction. Existing feed-forward 3D scene understanding methods (e.g., LSM) are limited to extracting language-based semantics from scenes, failing to achieve holistic scene comprehension. Additionally, they suffer from low-quality geometry reconstruction and noisy artifacts. In contrast, per-scene optimization methods rely on dense input views, which reduces practicality and increases complexity during deployment. In this paper, we propose SemanticSplat, a feed-forward semantic-aware 3D reconstruction method, which unifies 3D Gaussians with latent semantic attributes for joint geometry-appearance-semantics modeling. To predict the semantic anisotropic Gaussians, SemanticSplat fuses diverse feature fields (e.g., LSeg, SAM) with a cost volume representation that stores cross-view feature similarities, enhancing coherent and accurate scene comprehension. Leveraging a two-stage distillation framework, SemanticSplat reconstructs a holistic multi-modal semantic feature field from sparse-view images. Experiments demonstrate the effectiveness of our method for 3D scene understanding tasks like promptable and open-vocabulary segmentation. Video results are available at https://semanticsplat.github.io.
♻ ☆ Motion-R1: Chain-of-Thought Reasoning and Reinforcement Learning for Human Motion Generation
Recent advances in large language models, especially in natural language understanding and reasoning, have opened new possibilities for text-to-motion generation. Although existing approaches have made notable progress in semantic alignment and motion synthesis, they often rely on end-to-end mapping strategies that fail to capture deep linguistic structures and logical reasoning. Consequently, generated motions tend to lack controllability, consistency, and diversity. To address these limitations, we propose Motion-R1, a unified motion-language modeling framework that integrates a Chain-of-Thought mechanism. By explicitly decomposing complex textual instructions into logically structured action paths, Motion-R1 provides high-level semantic guidance for motion generation, significantly enhancing the model's ability to interpret and execute multi-step, long-horizon, and compositionally rich commands. To train our model, we adopt Group Relative Policy Optimization, a reinforcement learning algorithm designed for large models, which leverages motion quality feedback to optimize reasoning chains and motion synthesis jointly. Extensive experiments across multiple benchmark datasets demonstrate that Motion-R1 achieves competitive or superior performance compared to state-of-the-art methods, particularly in scenarios requiring nuanced semantic understanding and long-term temporal coherence. The code, model and data will be publicly available.
♻ ☆ HF-VTON: High-Fidelity Virtual Try-On via Consistent Geometric and Semantic Alignment
Virtual try-on technology has become increasingly important in the fashion and retail industries, enabling the generation of high-fidelity garment images that adapt seamlessly to target human models. While existing methods have achieved notable progress, they still face significant challenges in maintaining consistency across different poses. Specifically, geometric distortions lead to a lack of spatial consistency, mismatches in garment structure and texture across poses result in semantic inconsistency, and the loss or distortion of fine-grained details diminishes visual fidelity. To address these challenges, we propose HF-VTON, a novel framework that ensures high-fidelity virtual try-on performance across diverse poses. HF-VTON consists of three key modules: (1) the Appearance-Preserving Warp Alignment Module (APWAM), which aligns garments to human poses, addressing geometric deformations and ensuring spatial consistency; (2) the Semantic Representation and Comprehension Module (SRCM), which captures fine-grained garment attributes and multi-pose data to enhance semantic representation, maintaining structural, textural, and pattern consistency; and (3) the Multimodal Prior-Guided Appearance Generation Module (MPAGM), which integrates multimodal features and prior knowledge from pre-trained models to optimize appearance generation, ensuring both semantic and geometric consistency. Additionally, to overcome data limitations in existing benchmarks, we introduce the SAMP-VTONS dataset, featuring multi-pose pairs and rich textual annotations for a more comprehensive evaluation. Experimental results demonstrate that HF-VTON outperforms state-of-the-art methods on both VITON-HD and SAMP-VTONS, excelling in visual fidelity, semantic consistency, and detail preservation.
comment: After the publication of the paper, we discovered some significant errors/omissions that need to be corrected and improved
♻ ☆ MiniMaxAD: A Lightweight Autoencoder for Feature-Rich Anomaly Detection
Previous industrial anomaly detection methods often struggle to handle the extensive diversity in training sets, particularly when they contain stylistically diverse and feature-rich samples, which we categorize as feature-rich anomaly detection datasets (FRADs). This challenge is evident in applications such as multi-view and multi-class scenarios. To address this challenge, we developed MiniMaxAD, a efficient autoencoder designed to efficiently compress and memorize extensive information from normal images. Our model employs a technique that enhances feature diversity, thereby increasing the effective capacity of the network. It also utilizes large kernel convolution to extract highly abstract patterns, which contribute to efficient and compact feature embedding. Moreover, we introduce an Adaptive Contraction Hard Mining Loss (ADCLoss), specifically tailored to FRADs. In our methodology, any dataset can be unified under the framework of feature-rich anomaly detection, in a way that the benefits far outweigh the drawbacks. Our approach has achieved state-of-the-art performance in multiple challenging benchmarks. Code is available at: \href{https://github.com/WangFengJiee/MiniMaxAD}{https://github.com/WangFengJiee/MiniMaxAD}
comment: Accept by Computers in Industry
♻ ☆ Learning Class Prototypes for Unified Sparse Supervised 3D Object Detection CVPR 2025
Both indoor and outdoor scene perceptions are essential for embodied intelligence. However, current sparse supervised 3D object detection methods focus solely on outdoor scenes without considering indoor settings. To this end, we propose a unified sparse supervised 3D object detection method for both indoor and outdoor scenes through learning class prototypes to effectively utilize unlabeled objects. Specifically, we first propose a prototype-based object mining module that converts the unlabeled object mining into a matching problem between class prototypes and unlabeled features. By using optimal transport matching results, we assign prototype labels to high-confidence features, thereby achieving the mining of unlabeled objects. We then present a multi-label cooperative refinement module to effectively recover missed detections through pseudo label quality control and prototype label cooperation. Experiments show that our method achieves state-of-the-art performance under the one object per scene sparse supervised setting across indoor and outdoor datasets. With only one labeled object per scene, our method achieves about 78%, 90%, and 96% performance compared to the fully supervised detector on ScanNet V2, SUN RGB-D, and KITTI, respectively, highlighting the scalability of our method. Code is available at https://github.com/zyrant/CPDet3D.
comment: Accepted by CVPR 2025
♻ ☆ Efficient Visual State Space Model for Image Deblurring CVPR 2025
Convolutional neural networks (CNNs) and Vision Transformers (ViTs) have achieved excellent performance in image restoration. While ViTs generally outperform CNNs by effectively capturing long-range dependencies and input-specific characteristics, their computational complexity increases quadratically with image resolution. This limitation hampers their practical application in high-resolution image restoration. In this paper, we propose a simple yet effective visual state space model (EVSSM) for image deblurring, leveraging the benefits of state space models (SSMs) for visual data. In contrast to existing methods that employ several fixed-direction scanning for feature extraction, which significantly increases the computational cost, we develop an efficient visual scan block that applies various geometric transformations before each SSM-based module, capturing useful non-local information and maintaining high efficiency. In addition, to more effectively capture and represent local information, we propose an efficient discriminative frequency domain-based feedforward network (EDFFN), which can effectively estimate useful frequency information for latent clear image restoration. Extensive experimental results show that the proposed EVSSM performs favorably against state-of-the-art methods on benchmark datasets and real-world images. The code is available at https://github.com/kkkls/EVSSM.
comment: CVPR 2025
♻ ☆ Sheet Music Benchmark: Standardized Optical Music Recognition Evaluation
In this work, we introduce the Sheet Music Benchmark (SMB), a dataset of six hundred and eighty-five pages specifically designed to benchmark Optical Music Recognition (OMR) research. SMB encompasses a diverse array of musical textures, including monophony, pianoform, quartet, and others, all encoded in Common Western Modern Notation using the Humdrum **kern format. Alongside SMB, we introduce the OMR Normalized Edit Distance (OMR-NED), a new metric tailored explicitly for evaluating OMR performance. OMR-NED builds upon the widely-used Symbol Error Rate (SER), offering a fine-grained and detailed error analysis that covers individual musical elements such as note heads, beams, pitches, accidentals, and other critical notation features. The resulting numeric score provided by OMR-NED facilitates clear comparisons, enabling researchers and end-users alike to identify optimal OMR approaches. Our work thus addresses a long-standing gap in OMR evaluation, and we support our contributions with baseline experiments using standardized SMB dataset splits for training and assessing state-of-the-art methods.
♻ ☆ E2MPL:An Enduring and Efficient Meta Prompt Learning Framework for Few-shot Unsupervised Domain Adaptation
Few-shot unsupervised domain adaptation (FS-UDA) leverages a limited amount of labeled data from a source domain to enable accurate classification in an unlabeled target domain. Despite recent advancements, current approaches of FS-UDA continue to confront a major challenge: models often demonstrate instability when adapted to new FS-UDA tasks and necessitate considerable time investment. To address these challenges, we put forward a novel framework called Enduring and Efficient Meta-Prompt Learning (E2MPL) for FS-UDA. Within this framework, we utilize the pre-trained CLIP model as the backbone of feature learning. Firstly, we design domain-shared prompts, consisting of virtual tokens, which primarily capture meta-knowledge from a wide range of meta-tasks to mitigate the domain gaps. Secondly, we develop a task prompt learning network that adaptively learns task-specific specific prompts with the goal of achieving fast and stable task generalization. Thirdly, we formulate the meta-prompt learning process as a bilevel optimization problem, consisting of (outer) meta-prompt learner and (inner) task-specific classifier and domain adapter. Also, the inner objective of each meta-task has the closed-form solution, which enables efficient prompt learning and adaptation to new tasks in a single step. Extensive experimental studies demonstrate the promising performance of our framework in a domain adaptation benchmark dataset DomainNet. Compared with state-of-the-art methods, our method has improved accuracy by at least 15.4% and reduced the time by 68.5% on average in 5-way 1-shot tasks, and improved accuracy by 8.7% and reduced the time by 74.1% on average in 5-way 5-shot tasks. Moreover, our approach exhibits more enduring performance than the other methods, i.e., being more stable across 3600 test tasks.
♻ ☆ Fish feeding behavior recognition and intensity quantification methods in aquaculture: From single modality analysis to multimodality fusion
As a key part of aquaculture management, fish feeding behavior recognition and intensity quantification has been a hot area of great concern to researchers, and it plays a crucial role in monitoring fish health, guiding baiting work and improving aquaculture efficiency. In order to better carry out the related work in the future, this paper firstly analyzes and compares the existing reviews. Then reviews the research advances of fish feeding behavior recognition and intensity quantification methods based on computer vision, acoustics and sensors in a single modality. Meanwhile, the application of the current emerging multimodal fusion in fish feeding behavior recognition and intensity quantification methods is expounded. Finally, the advantages and disadvantages of various techniques are compared and analyzed, and the future research directions are envisioned.
comment: 24 pages, 4 figures,
♻ ☆ TextCrafter: Accurately Rendering Multiple Texts in Complex Visual Scenes
This paper explores the task of Complex Visual Text Generation (CVTG), which centers on generating intricate textual content distributed across diverse regions within visual images. In CVTG, image generation models often rendering distorted and blurred visual text or missing some visual text. To tackle these challenges, we propose TextCrafter, a novel multi-visual text rendering method. TextCrafter employs a progressive strategy to decompose complex visual text into distinct components while ensuring robust alignment between textual content and its visual carrier. Additionally, it incorporates a token focus enhancement mechanism to amplify the prominence of visual text during the generation process. TextCrafter effectively addresses key challenges in CVTG tasks, such as text confusion, omissions, and blurriness. Moreover, we present a new benchmark dataset, CVTG-2K, tailored to rigorously evaluate the performance of generative models on CVTG tasks. Extensive experiments demonstrate that our method surpasses state-of-the-art approaches.
♻ ☆ LLaVA-c: Continual Improved Visual Instruction Tuning
Multimodal models like LLaVA-1.5 achieve state-of-the-art visual understanding through visual instruction tuning on multitask datasets, enabling strong instruction-following and multimodal performance. However, multitask learning faces challenges such as task balancing, requiring careful adjustment of data proportions, and expansion costs, where new tasks risk catastrophic forgetting and need costly retraining. Continual learning provides a promising alternative to acquiring new knowledge incrementally while preserving existing capabilities. However, current methods prioritize task-specific performance, neglecting base model degradation from overfitting to specific instructions, which undermines general capabilities. In this work, we propose a simple but effective method with two modifications on LLaVA-1.5: spectral-aware consolidation for improved task balance and unsupervised inquiry regularization to prevent base model degradation. We evaluate both general and task-specific performance across continual pretraining and fine-tuning. Experiments demonstrate that LLaVA-c consistently enhances standard benchmark performance and preserves general capabilities. For the first time, we show that task-by-task continual learning can achieve results that match or surpass multitask joint learning. The code will be publicly released.
♻ ☆ A Self-supervised Motion Representation for Portrait Video Generation
Recent advancements in portrait video generation have been noteworthy. However, existing methods rely heavily on human priors and pre-trained generative models, Motion representations based on human priors may introduce unrealistic motion, while methods relying on pre-trained generative models often suffer from inefficient inference. To address these challenges, we propose Semantic Latent Motion (SeMo), a compact and expressive motion representation. Leveraging this representation, our approach achieve both high-quality visual results and efficient inference. SeMo follows an effective three-step framework: Abstraction, Reasoning, and Generation. First, in the Abstraction step, we use a carefully designed Masked Motion Encoder, which leverages a self-supervised learning paradigm to compress the subject's motion state into a compact and abstract latent motion (1D token). Second, in the Reasoning step, we efficiently generate motion sequences based on the driving audio signal. Finally, in the Generation step, the motion dynamics serve as conditional information to guide the motion decoder in synthesizing realistic transitions from reference frame to target video. Thanks to the compact and expressive nature of Semantic Latent Motion, our method achieves efficient motion representation and high-quality video generation. User studies demonstrate that our approach surpasses state-of-the-art models with an 81% win rate in realism. Extensive experiments further highlight its strong compression capability, reconstruction quality, and generative potential.
♻ ☆ Discovering Hidden Visual Concepts Beyond Linguistic Input in Infant Learning CVPR 2025
Infants develop complex visual understanding rapidly, even preceding the acquisition of linguistic skills. As computer vision seeks to replicate the human vision system, understanding infant visual development may offer valuable insights. In this paper, we present an interdisciplinary study exploring this question: can a computational model that imitates the infant learning process develop broader visual concepts that extend beyond the vocabulary it has heard, similar to how infants naturally learn? To investigate this, we analyze a recently published model in Science by Vong et al., which is trained on longitudinal, egocentric images of a single child paired with transcribed parental speech. We perform neuron labeling to identify visual concept neurons hidden in the model's internal representations. We then demonstrate that these neurons can recognize objects beyond the model's original vocabulary. Furthermore, we compare the differences in representation between infant models and those in modern computer vision models, such as CLIP and ImageNet pre-trained model. Ultimately, our work bridges cognitive science and computer vision by analyzing the internal representations of a computational model trained on an infant visual and linguistic inputs. Project page is available at https://kexueyi.github.io/webpage-discover-hidden-visual-concepts.
comment: Accepted at CVPR 2025
Machine Learning 203
☆ EMLoC: Emulator-based Memory-efficient Fine-tuning with LoRA Correction
Open-source foundation models have seen rapid adoption and development, enabling powerful general-purpose capabilities across diverse domains. However, fine-tuning large foundation models for domain-specific or personalized tasks remains prohibitively expensive for most users due to the significant memory overhead beyond that of inference. We introduce EMLoC, an Emulator-based Memory-efficient fine-tuning framework with LoRA Correction, which enables model fine-tuning within the same memory budget required for inference. EMLoC constructs a task-specific light-weight emulator using activation-aware singular value decomposition (SVD) on a small downstream calibration set. Fine-tuning then is performed on this lightweight emulator via LoRA. To tackle the misalignment between the original model and the compressed emulator, we propose a novel compensation algorithm to correct the fine-tuned LoRA module, which thus can be merged into the original model for inference. EMLoC supports flexible compression ratios and standard training pipelines, making it adaptable to a wide range of applications. Extensive experiments demonstrate that EMLoC outperforms other baselines across multiple datasets and modalities. Moreover, without quantization, EMLoC enables fine-tuning of a 38B model on a single 24GB consumer GPU-bringing efficient and practical model adaptation to individual users.
comment: Under review. Project page: https://hsi-che-lin.github.io/EMLoC/
☆ code_transformed: The Influence of Large Language Models on Code
Coding remains one of the most fundamental modes of interaction between humans and machines. With the rapid advancement of Large Language Models (LLMs), code generation capabilities have begun to significantly reshape programming practices. This development prompts a central question: Have LLMs transformed code style, and how can such transformation be characterized? In this paper, we present a pioneering study that investigates the impact of LLMs on code style, with a focus on naming conventions, complexity, maintainability, and similarity. By analyzing code from over 19,000 GitHub repositories linked to arXiv papers published between 2020 and 2025, we identify measurable trends in the evolution of coding style that align with characteristics of LLM-generated code. For instance, the proportion of snake\_case variable names in Python code increased from 47% in Q1 2023 to 51% in Q1 2025. Furthermore, we investigate how LLMs approach algorithmic problems by examining their reasoning processes. Given the diversity of LLMs and usage scenarios, among other factors, it is difficult or even impossible to precisely estimate the proportion of code generated or assisted by LLMs. Our experimental results provide the first large-scale empirical evidence that LLMs affect real-world programming style.
comment: We release all the experimental dataset and source code at: https://github.com/ignorancex/LLM_code
☆ SIMSHIFT: A Benchmark for Adapting Neural Surrogates to Distribution Shifts
Neural surrogates for Partial Differential Equations (PDEs) often suffer significant performance degradation when evaluated on unseen problem configurations, such as novel material types or structural dimensions. Meanwhile, Domain Adaptation (DA) techniques have been widely used in vision and language processing to generalize from limited information about unseen configurations. In this work, we address this gap through two focused contributions. First, we introduce SIMSHIFT, a novel benchmark dataset and evaluation suite composed of four industrial simulation tasks: hot rolling, sheet metal forming, electric motor design and heatsink design. Second, we extend established domain adaptation methods to state of the art neural surrogates and systematically evaluate them. These approaches use parametric descriptions and ground truth simulations from multiple source configurations, together with only parametric descriptions from target configurations. The goal is to accurately predict target simulations without access to ground truth simulation data. Extensive experiments on SIMSHIFT highlight the challenges of out of distribution neural surrogate modeling, demonstrate the potential of DA in simulation, and reveal open problems in achieving robust neural surrogates under distribution shifts in industrially relevant scenarios. Our codebase is available at https://github.com/psetinek/simshift
☆ An Efficient Compression of Deep Neural Network Checkpoints Based on Prediction and Context Modeling
This paper is dedicated to an efficient compression of weights and optimizer states (called checkpoints) obtained at different stages during a neural network training process. First, we propose a prediction-based compression approach, where values from the previously saved checkpoint are used for context modeling in arithmetic coding. Second, in order to enhance the compression performance, we also propose to apply pruning and quantization of the checkpoint values. Experimental results show that our approach achieves substantial bit size reduction, while enabling near-lossless training recovery from restored checkpoints, preserving the model's performance and making it suitable for storage-limited environments.
comment: IEEE NW Russia Young Researchers in Electrical and Electronic Engineering Conference (EIConRusNW)
☆ pLSTM: parallelizable Linear Source Transition Mark networks
Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-defined sequential order. In contrast, Multi-Dimensional RNNs (MDRNNs) are well suited for data with a higher level structure, like 2D grids, trees, and directed acyclic graphs (DAGs). In this work, we extend the notion of multi-dimensionality to linear RNNs. We introduce parallelizable Linear Source Transition Mark networks (pLSTMs) using Source, Transition, and Mark gates that act on the line graph of a general DAG. This enables parallelization in analogy to parallel associative scans and the chunkwise-recurrent form of sequential linear RNNs, but for DAGs. For regular grids (1D and 2D), like images, this scheme can be efficiently implemented using einsum operations, concatenations, and padding in logarithmic time. pLSTMs tackle the vanishing/exploding activation/gradient problem for long distances in DAGs via two distinct modes: a directed propagation mode (P-mode) and a diffusive distribution mode (D-mode). To showcase the long-range capabilities of pLSTM, we introduce arrow-pointing extrapolation as a synthetic computer vision task that contains long-distance directional information. We demonstrate that pLSTMs generalize well to larger image sizes, whereas Transformers struggle to extrapolate. On established molecular graph and computer vision benchmarks, pLSTMs also show strong performance. Code and Datasets are available at: https://github.com/ml-jku/plstm_experiments.
☆ Spectral Estimation with Free Decompression
Computing eigenvalues of very large matrices is a critical task in many machine learning applications, including the evaluation of log-determinants, the trace of matrix functions, and other important metrics. As datasets continue to grow in scale, the corresponding covariance and kernel matrices become increasingly large, often reaching magnitudes that make their direct formation impractical or impossible. Existing techniques typically rely on matrix-vector products, which can provide efficient approximations, if the matrix spectrum behaves well. However, in settings like distributed learning, or when the matrix is defined only indirectly, access to the full data set can be restricted to only very small sub-matrices of the original matrix. In these cases, the matrix of nominal interest is not even available as an implicit operator, meaning that even matrix-vector products may not be available. In such settings, the matrix is "impalpable," in the sense that we have access to only masked snapshots of it. We draw on principles from free probability theory to introduce a novel method of "free decompression" to estimate the spectrum of such matrices. Our method can be used to extrapolate from the empirical spectral densities of small submatrices to infer the eigenspectrum of extremely large (impalpable) matrices (that we cannot form or even evaluate with full matrix-vector products). We demonstrate the effectiveness of this approach through a series of examples, comparing its performance against known limiting distributions from random matrix theory in synthetic settings, as well as applying it to submatrices of real-world datasets, matching them with their full empirical eigenspectra.
☆ Compression Aware Certified Training
Deep neural networks deployed in safety-critical, resource-constrained environments must balance efficiency and robustness. Existing methods treat compression and certified robustness as separate goals, compromising either efficiency or safety. We propose CACTUS (Compression Aware Certified Training Using network Sets), a general framework for unifying these objectives during training. CACTUS models maintain high certified accuracy even when compressed. We apply CACTUS for both pruning and quantization and show that it effectively trains models which can be efficiently compressed while maintaining high accuracy and certifiable robustness. CACTUS achieves state-of-the-art accuracy and certified performance for both pruning and quantization on a variety of datasets and input specifications.
comment: 19 pages, 1 figure
☆ Interpretable representation learning of quantum data enabled by probabilistic variational autoencoders
Interpretable machine learning is rapidly becoming a crucial tool for scientific discovery. Among existing approaches, variational autoencoders (VAEs) have shown promise in extracting the hidden physical features of some input data, with no supervision nor prior knowledge of the system at study. Yet, the ability of VAEs to create meaningful, interpretable representations relies on their accurate approximation of the underlying probability distribution of their input. When dealing with quantum data, VAEs must hence account for its intrinsic randomness and complex correlations. While VAEs have been previously applied to quantum data, they have often neglected its probabilistic nature, hindering the extraction of meaningful physical descriptors. Here, we demonstrate that two key modifications enable VAEs to learn physically meaningful latent representations: a decoder capable of faithfully reproduce quantum states and a probabilistic loss tailored to this task. Using benchmark quantum spin models, we identify regimes where standard methods fail while the representations learned by our approach remain meaningful and interpretable. Applied to experimental data from Rydberg atom arrays, the model autonomously uncovers the phase structure without access to prior labels, Hamiltonian details, or knowledge of relevant order parameters, highlighting its potential as an unsupervised and interpretable tool for the study of quantum systems.
comment: Main text 10 pages, total document 16 pages, 10 figures
☆ Learning Before Filtering: Real-Time Hardware Learning at the Detector Level
Advances in sensor technology and automation have ushered in an era of data abundance, where the ability to identify and extract relevant information in real time has become increasingly critical. Traditional filtering approaches, which depend on a priori knowledge, often struggle to adapt to dynamic or unanticipated data features. Machine learning offers a compelling alternative-particularly when training can occur directly at or near the detector. This paper presents a digital hardware architecture designed for real-time neural network training, specifically optimized for high-throughput data ingestion. The design is described in an implementation-independent manner, with detailed analysis of each architectural component and their performance implications. Through system parameterization, the study explores trade-offs between processing speed, model complexity, and hardware resource utilization. Practical examples illustrate how these parameters affect applicability across various use cases. A proof-of-concept implementation on an FPGA demonstrates in-situ training, confirming that computational accuracy is preserved relative to conventional software-based approaches. Moreover, resource estimates indicate that current-generation FPGAs can train networks of approximately 3,500 neurons per chip. The architecture is both scalable and adaptable, representing a significant advancement toward integrating learning directly within detector systems and enabling a new class of extreme-edge, real-time information processing.
☆ How Visual Representations Map to Language Feature Space in Multimodal LLMs
Effective multimodal reasoning depends on the alignment of visual and linguistic representations, yet the mechanisms by which vision-language models (VLMs) achieve this alignment remain poorly understood. We introduce a methodological framework that deliberately maintains a frozen large language model (LLM) and a frozen vision transformer (ViT), connected solely by training a linear adapter during visual instruction tuning. This design is fundamental to our approach: by keeping the language model frozen, we ensure it maintains its original language representations without adaptation to visual data. Consequently, the linear adapter must map visual features directly into the LLM's existing representational space rather than allowing the language model to develop specialized visual understanding through fine-tuning. Our experimental design uniquely enables the use of pre-trained sparse autoencoders (SAEs) of the LLM as analytical probes. These SAEs remain perfectly aligned with the unchanged language model and serve as a snapshot of the learned language feature-representations. Through systematic analysis of SAE reconstruction error, sparsity patterns, and feature SAE descriptions, we reveal the layer-wise progression through which visual representations gradually align with language feature representations, converging in middle-to-later layers. This suggests a fundamental misalignment between ViT outputs and early LLM layers, raising important questions about whether current adapter-based architectures optimally facilitate cross-modal representation learning.
☆ Self-Regulating Cars: Automating Traffic Control in Free Flow Road Networks
Free-flow road networks, such as suburban highways, are increasingly experiencing traffic congestion due to growing commuter inflow and limited infrastructure. Traditional control mechanisms, such as traffic signals or local heuristics, are ineffective or infeasible in these high-speed, signal-free environments. We introduce self-regulating cars, a reinforcement learning-based traffic control protocol that dynamically modulates vehicle speeds to optimize throughput and prevent congestion, without requiring new physical infrastructure. Our approach integrates classical traffic flow theory, gap acceptance models, and microscopic simulation into a physics-informed RL framework. By abstracting roads into super-segments, the agent captures emergent flow dynamics and learns robust speed modulation policies from instantaneous traffic observations. Evaluated in the high-fidelity PTV Vissim simulator on a real-world highway network, our method improves total throughput by 5%, reduces average delay by 13%, and decreases total stops by 3% compared to the no-control setting. It also achieves smoother, congestion-resistant flow while generalizing across varied traffic patterns, demonstrating its potential for scalable, ML-driven traffic management.
☆ Visual Pre-Training on Unlabeled Images using Reinforcement Learning
In reinforcement learning (RL), value-based algorithms learn to associate each observation with the states and rewards that are likely to be reached from it. We observe that many self-supervised image pre-training methods bear similarity to this formulation: learning features that associate crops of images with those of nearby views, e.g., by taking a different crop or color augmentation. In this paper, we complete this analogy and explore a method that directly casts pre-training on unlabeled image data like web crawls and video frames as an RL problem. We train a general value function in a dynamical system where an agent transforms an image by changing the view or adding image augmentations. Learning in this way resembles crop-consistency self-supervision, but through the reward function, offers a simple lever to shape feature learning using curated images or weakly labeled captions when they exist. Our experiments demonstrate improved representations when training on unlabeled images in the wild, including video data like EpicKitchens, scene data like COCO, and web-crawl data like CC12M.
☆ Automated Treatment Planning for Interstitial HDR Brachytherapy for Locally Advanced Cervical Cancer using Deep Reinforcement Learning
High-dose-rate (HDR) brachytherapy plays a critical role in the treatment of locally advanced cervical cancer but remains highly dependent on manual treatment planning expertise. The objective of this study is to develop a fully automated HDR brachytherapy planning framework that integrates reinforcement learning (RL) and dose-based optimization to generate clinically acceptable treatment plans with improved consistency and efficiency. We propose a hierarchical two-stage autoplanning framework. In the first stage, a deep Q-network (DQN)-based RL agent iteratively selects treatment planning parameters (TPPs), which control the trade-offs between target coverage and organ-at-risk (OAR) sparing. The agent's state representation includes both dose-volume histogram (DVH) metrics and current TPP values, while its reward function incorporates clinical dose objectives and safety constraints, including D90, V150, V200 for targets, and D2cc for all relevant OARs (bladder, rectum, sigmoid, small bowel, and large bowel). In the second stage, a customized Adam-based optimizer computes the corresponding dwell time distribution for the selected TPPs using a clinically informed loss function. The framework was evaluated on a cohort of patients with complex applicator geometries. The proposed framework successfully learned clinically meaningful TPP adjustments across diverse patient anatomies. For the unseen test patients, the RL-based automated planning method achieved an average score of 93.89%, outperforming the clinical plans which averaged 91.86%. These findings are notable given that score improvements were achieved while maintaining full target coverage and reducing CTV hot spots in most cases.
comment: 12 pages, 2 figures, 3 tables
☆ Improving Large Language Model Safety with Contrastive Representation Learning
Large Language Models (LLMs) are powerful tools with profound societal impacts, yet their ability to generate responses to diverse and uncontrolled inputs leaves them vulnerable to adversarial attacks. While existing defenses often struggle to generalize across varying attack types, recent advancements in representation engineering offer promising alternatives. In this work, we propose a defense framework that formulates model defense as a contrastive representation learning (CRL) problem. Our method finetunes a model using a triplet-based loss combined with adversarial hard negative mining to encourage separation between benign and harmful representations. Our experimental results across multiple models demonstrate that our approach outperforms prior representation engineering-based defenses, improving robustness against both input-level and embedding-space attacks without compromising standard performance. Our code is available at https://github.com/samuelsimko/crl-llm-defense
☆ Bubble Dynamics Transformer: Microrheology at Ultra-High Strain Rates
Laser-induced inertial cavitation (LIC)-where microscale vapor bubbles nucleate due to a focused high-energy pulsed laser and then violently collapse under surrounding high local pressures-offers a unique opportunity to investigate soft biological material mechanics at extremely high strain rates (>1000 1/s). Traditional rheological tools are often limited in these regimes by loading speed, resolution, or invasiveness. Here we introduce novel machine learning (ML) based microrheological frameworks that leverage LIC to characterize the viscoelastic properties of biological materials at ultra-high strain rates. We utilize ultra-high-speed imaging to capture time-resolved bubble radius dynamics during LIC events in various soft viscoelastic materials. These bubble radius versus time measurements are then analyzed using a newly developed Bubble Dynamics Transformer (BDT), a neural network trained on physics-based simulation data. The BDT accurately infers material viscoelastic parameters, eliminating the need for iterative fitting or complex inversion processes. This enables fast, accurate, and non-contact characterization of soft materials under extreme loading conditions, with significant implications for biomedical applications and materials science.
☆ LiveCodeBench Pro: How Do Olympiad Medalists Judge LLMs in Competitive Programming?
Recent reports claim that large language models (LLMs) now outperform elite humans in competitive programming. Drawing on knowledge from a group of medalists in international algorithmic contests, we revisit this claim, examining how LLMs differ from human experts and where limitations still remain. We introduce LiveCodeBench Pro, a benchmark composed of problems from Codeforces, ICPC, and IOI that are continuously updated to reduce the likelihood of data contamination. A team of Olympiad medalists annotates every problem for algorithmic categories and conducts a line-by-line analysis of failed model-generated submissions. Using this new data and benchmark, we find that frontier models still have significant limitations: without external tools, the best model achieves only 53% pass@1 on medium-difficulty problems and 0% on hard problems, domains where expert humans still excel. We also find that LLMs succeed at implementation-heavy problems but struggle with nuanced algorithmic reasoning and complex case analysis, often generating confidently incorrect justifications. High performance appears largely driven by implementation precision and tool augmentation, not superior reasoning. LiveCodeBench Pro thus highlights the significant gap to human grandmaster levels, while offering fine-grained diagnostics to steer future improvements in code-centric LLM reasoning.
comment: Project Page at https://livecodebenchpro.com/
☆ Real-World Deployment of a Lane Change Prediction Architecture Based on Knowledge Graph Embeddings and Bayesian Inference
Research on lane change prediction has gained a lot of momentum in the last couple of years. However, most research is confined to simulation or results obtained from datasets, leaving a gap between algorithmic advances and on-road deployment. This work closes that gap by demonstrating, on real hardware, a lane-change prediction system based on Knowledge Graph Embeddings (KGEs) and Bayesian inference. Moreover, the ego-vehicle employs a longitudinal braking action to ensure the safety of both itself and the surrounding vehicles. Our architecture consists of two modules: (i) a perception module that senses the environment, derives input numerical features, and converts them into linguistic categories; and communicates them to the prediction module; (ii) a pretrained prediction module that executes a KGE and Bayesian inference model to anticipate the target vehicle's maneuver and transforms the prediction into longitudinal braking action. Real-world hardware experimental validation demonstrates that our prediction system anticipates the target vehicle's lane change three to four seconds in advance, providing the ego vehicle sufficient time to react and allowing the target vehicle to make the lane change safely.
☆ Breaking Habits: On the Role of the Advantage Function in Learning Causal State Representations
Recent work has shown that reinforcement learning agents can develop policies that exploit spurious correlations between rewards and observations. This phenomenon, known as policy confounding, arises because the agent's policy influences both past and future observation variables, creating a feedback loop that can hinder the agent's ability to generalize beyond its usual trajectories. In this paper, we show that the advantage function, commonly used in policy gradient methods, not only reduces the variance of gradient estimates but also mitigates the effects of policy confounding. By adjusting action values relative to the state representation, the advantage function downweights state-action pairs that are more likely under the current policy, breaking spurious correlations and encouraging the agent to focus on causal factors. We provide both analytical and empirical evidence demonstrating that training with the advantage function leads to improved out-of-trajectory performance.
☆ Spectra-to-Structure and Structure-to-Spectra Inference Across the Periodic Table
X-ray Absorption Spectroscopy (XAS) is a powerful technique for probing local atomic environments, yet its interpretation remains limited by the need for expert-driven analysis, computationally expensive simulations, and element-specific heuristics. Recent advances in machine learning have shown promise for accelerating XAS interpretation, but many existing models are narrowly focused on specific elements, edge types, or spectral regimes. In this work, we present XAStruct, a learning framework capable of both predicting XAS spectra from crystal structures and inferring local structural descriptors from XAS input. XAStruct is trained on a large-scale dataset spanning over 70 elements across the periodic table, enabling generalization to a wide variety of chemistries and bonding environments. The model includes the first machine learning approach for predicting neighbor atom types directly from XAS spectra, as well as a unified regression model for mean nearest-neighbor distance that requires no element-specific tuning. While we explored integrating the two pipelines into a single end-to-end model, empirical results showed performance degradation. As a result, the two tasks were trained independently to ensure optimal accuracy and task-specific performance. By combining deep neural networks for complex structure-property mappings with efficient baseline models for simpler tasks, XAStruct offers a scalable and extensible solution for data-driven XAS analysis and local structure inference. The source code will be released upon paper acceptance.
☆ Convergence of Momentum-Based Optimization Algorithms with Time-Varying Parameters
In this paper, we present a unified algorithm for stochastic optimization that makes use of a "momentum" term; in other words, the stochastic gradient depends not only on the current true gradient of the objective function, but also on the true gradient at the previous iteration. Our formulation includes the Stochastic Heavy Ball (SHB) and the Stochastic Nesterov Accelerated Gradient (SNAG) algorithms as special cases. In addition, in our formulation, the momentum term is allowed to vary as a function of time (i.e., the iteration counter). The assumptions on the stochastic gradient are the most general in the literature, in that it can be biased, and have a conditional variance that grows in an unbounded fashion as a function of time. This last feature is crucial in order to make the theory applicable to "zero-order" methods, where the gradient is estimated using just two function evaluations. We present a set of sufficient conditions for the convergence of the unified algorithm. These conditions are natural generalizations of the familiar Robbins-Monro and Kiefer-Wolfowitz-Blum conditions for standard stochastic gradient descent. We also analyze another method from the literature for the SHB algorithm with a time-varying momentum parameter, and show that it is impracticable.
comment: 32 pages
☆ TreeRL: LLM Reinforcement Learning with On-Policy Tree Search ACL 2025
Reinforcement learning (RL) with tree search has demonstrated superior performance in traditional reasoning tasks. Compared to conventional independent chain sampling strategies with outcome supervision, tree search enables better exploration of the reasoning space and provides dense, on-policy process rewards during RL training but remains under-explored in On-Policy LLM RL. We propose TreeRL, a reinforcement learning framework that directly incorporates on-policy tree search for RL training. Our approach includes intermediate supervision and eliminates the need for a separate reward model training. Existing approaches typically train a separate process reward model, which can suffer from distribution mismatch and reward hacking. We also introduce a cost-effective tree search approach that achieves higher search efficiency under the same generation token budget by strategically branching from high-uncertainty intermediate steps rather than using random branching. Experiments on challenging math and code reasoning benchmarks demonstrate that TreeRL achieves superior performance compared to traditional ChainRL, highlighting the potential of tree search for LLM. TreeRL is open-sourced at https://github.com/THUDM/TreeRL.
comment: Accepted to ACL 2025 main conference
☆ A Neural Rejection System Against Universal Adversarial Perturbations in Radio Signal Classification
Advantages of deep learning over traditional methods have been demonstrated for radio signal classification in the recent years. However, various researchers have discovered that even a small but intentional feature perturbation known as adversarial examples can significantly deteriorate the performance of the deep learning based radio signal classification. Among various kinds of adversarial examples, universal adversarial perturbation has gained considerable attention due to its feature of being data independent, hence as a practical strategy to fool the radio signal classification with a high success rate. Therefore, in this paper, we investigate a defense system called neural rejection system to propose against universal adversarial perturbations, and evaluate its performance by generating white-box universal adversarial perturbations. We show that the proposed neural rejection system is able to defend universal adversarial perturbations with significantly higher accuracy than the undefended deep neural network.
☆ Scalable Generalized Bayesian Online Neural Network Training for Sequential Decision Making
We introduce scalable algorithms for online learning and generalized Bayesian inference of neural network parameters, designed for sequential decision making tasks. Our methods combine the strengths of frequentist and Bayesian filtering, which include fast low-rank updates via a block-diagonal approximation of the parameter error covariance, and a well-defined posterior predictive distribution that we use for decision making. More precisely, our main method updates a low-rank error covariance for the hidden layers parameters, and a full-rank error covariance for the final layer parameters. Although this characterizes an improper posterior, we show that the resulting posterior predictive distribution is well-defined. Our methods update all network parameters online, with no need for replay buffers or offline retraining. We show, empirically, that our methods achieve a competitive tradeoff between speed and accuracy on (non-stationary) contextual bandit problems and Bayesian optimization problems.
☆ Measurement-aligned Flow for Inverse Problem
Diffusion models provide a powerful way to incorporate complex prior information for solving inverse problems. However, existing methods struggle to correctly incorporate guidance from conflicting signals in the prior and measurement, especially in the challenging setting of non-Gaussian or unknown noise. To bridge these gaps, we propose Measurement-Aligned Sampling (MAS), a novel framework for linear inverse problem solving that can more flexibly balance prior and measurement information. MAS unifies and extends existing approaches like DDNM and DAPS, and offers a new optimization perspective. MAS can generalize to handle known Gaussian noise, unknown or non-Gaussian noise types. Extensive experiments show that MAS consistently outperforms state-of-the-art methods across a range of tasks.
☆ Attention-based Adversarial Robust Distillation in Radio Signal Classifications for Low-Power IoT Devices
Due to great success of transformers in many applications such as natural language processing and computer vision, transformers have been successfully applied in automatic modulation classification. We have shown that transformer-based radio signal classification is vulnerable to imperceptible and carefully crafted attacks called adversarial examples. Therefore, we propose a defense system against adversarial examples in transformer-based modulation classifications. Considering the need for computationally efficient architecture particularly for Internet of Things (IoT)-based applications or operation of devices in environment where power supply is limited, we propose a compact transformer for modulation classification. The advantages of robust training such as adversarial training in transformers may not be attainable in compact transformers. By demonstrating this, we propose a novel compact transformer that can enhance robustness in the presence of adversarial attacks. The new method is aimed at transferring the adversarial attention map from the robustly trained large transformer to a compact transformer. The proposed method outperforms the state-of-the-art techniques for the considered white-box scenarios including fast gradient method and projected gradient descent attacks. We have provided reasoning of the underlying working mechanisms and investigated the transferability of the adversarial examples between different architectures. The proposed method has the potential to protect the transformer from the transferability of adversarial examples.
☆ Understanding Input Selectivity in Mamba: Impact on Approximation Power, Memorization, and Associative Recall Capacity
State-Space Models (SSMs), and particularly Mamba, have recently emerged as a promising alternative to Transformers. Mamba introduces input selectivity to its SSM layer (S6) and incorporates convolution and gating into its block definition. While these modifications do improve Mamba's performance over its SSM predecessors, it remains largely unclear how Mamba leverages the additional functionalities provided by input selectivity, and how these interact with the other operations in the Mamba architecture. In this work, we demystify the role of input selectivity in Mamba, investigating its impact on function approximation power, long-term memorization, and associative recall capabilities. In particular: (i) we prove that the S6 layer of Mamba can represent projections onto Haar wavelets, providing an edge over its Diagonal SSM (S4D) predecessor in approximating discontinuous functions commonly arising in practice; (ii) we show how the S6 layer can dynamically counteract memory decay; (iii) we provide analytical solutions to the MQAR associative recall task using the Mamba architecture with different mixers -- Mamba, Mamba-2, and S4D. We demonstrate the tightness of our theoretical constructions with empirical results on concrete tasks. Our findings offer a mechanistic understanding of Mamba and reveal opportunities for improvement.
☆ An Explainable AI Framework for Dynamic Resource Management in Vehicular Network Slicing
Effective resource management and network slicing are essential to meet the diverse service demands of vehicular networks, including Enhanced Mobile Broadband (eMBB) and Ultra-Reliable and Low-Latency Communications (URLLC). This paper introduces an Explainable Deep Reinforcement Learning (XRL) framework for dynamic network slicing and resource allocation in vehicular networks, built upon a near-real-time RAN intelligent controller. By integrating a feature-based approach that leverages Shapley values and an attention mechanism, we interpret and refine the decisions of our reinforcementlearning agents, addressing key reliability challenges in vehicular communication systems. Simulation results demonstrate that our approach provides clear, real-time insights into the resource allocation process and achieves higher interpretability precision than a pure attention mechanism. Furthermore, the Quality of Service (QoS) satisfaction for URLLC services increased from 78.0% to 80.13%, while that for eMBB services improved from 71.44% to 73.21%.
comment: To appear in Proceedings of IEEE PIMRC 2025. 6 pages, 4 figures
☆ Decadal sink-source shifts of forest aboveground carbon since 1988
As enduring carbon sinks, forest ecosystems are vital to the terrestrial carbon cycle and help moderate global warming. However, the long-term dynamics of aboveground carbon (AGC) in forests and their sink-source transitions remain highly uncertain, owing to changing disturbance regimes and inconsistencies in observations, data processing, and analysis methods. Here, we derive reliable, harmonized AGC stocks and fluxes in global forests from 1988 to 2021 at high spatial resolution by integrating multi-source satellite observations with probabilistic deep learning models. Our approach simultaneously estimates AGC and associated uncertainties, showing high reliability across space and time. We find that, although global forests remained an AGC sink of 6.2 PgC over 30 years, moist tropical forests shifted to a substantial AGC source between 2001 and 2010 and, together with boreal forests, transitioned toward a source in the 2011-2021 period. Temperate, dry tropical and subtropical forests generally exhibited increasing AGC stocks, although Europe and Australia became sources after 2011. Regionally, pronounced sink-to-source transitions occurred in tropical forests over the past three decades. The interannual relationship between global atmospheric CO2 growth rates and tropical AGC flux variability became increasingly negative, reaching Pearson's r = -0.63 (p < 0.05) in the most recent decade. In the Brazilian Amazon, the contribution of deforested regions to AGC losses declined from 60% in 1989-2000 to 13% in 2011-2021, while the share from untouched areas increased from 33% to 76%. Our findings suggest a growing role of tropical forest AGC in modulating variability in the terrestrial carbon cycle, with anthropogenic climate change potentially contributing increasingly to AGC changes, particularly in previously untouched areas.
☆ Robust Molecular Property Prediction via Densifying Scarce Labeled Data
A widely recognized limitation of molecular prediction models is their reliance on structures observed in the training data, resulting in poor generalization to out-of-distribution compounds. Yet in drug discovery, the compounds most critical for advancing research often lie beyond the training set, making the bias toward the training data particularly problematic. This mismatch introduces substantial covariate shift, under which standard deep learning models produce unstable and inaccurate predictions. Furthermore, the scarcity of labeled data, stemming from the onerous and costly nature of experimental validation, further exacerbates the difficulty of achieving reliable generalization. To address these limitations, we propose a novel meta-learning-based approach that leverages unlabeled data to interpolate between in-distribution (ID) and out-of-distribution (OOD) data, enabling the model to meta-learn how to generalize beyond the training distribution. We demonstrate significant performance gains over state-of-the-art methods on challenging real-world datasets that exhibit substantial covariate shift.
☆ How do Probabilistic Graphical Models and Graph Neural Networks Look at Network Data?
Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured data, but their inherent functioning is different. The question is how do they compare in capturing the information contained in networked datasets? We address this objective by solving a link prediction task and we conduct three main experiments, on both synthetic and real networks: one focuses on how PGMs and GNNs handle input features, while the other two investigate their robustness to noisy features and increasing heterophily of the graph. PGMs do not necessarily require features on nodes, while GNNs cannot exploit the network edges alone, and the choice of input features matters. We find that GNNs are outperformed by PGMs when input features are low-dimensional or noisy, mimicking many real scenarios where node attributes might be scalar or noisy. Then, we find that PGMs are more robust than GNNs when the heterophily of the graph is increased. Finally, to assess performance beyond prediction tasks, we also compare the two frameworks in terms of their computational complexity and interpretability.
☆ Learning Overspecified Gaussian Mixtures Exponentially Fast with the EM Algorithm KDD 2025
We investigate the convergence properties of the EM algorithm when applied to overspecified Gaussian mixture models -- that is, when the number of components in the fitted model exceeds that of the true underlying distribution. Focusing on a structured configuration where the component means are positioned at the vertices of a regular simplex and the mixture weights satisfy a non-degeneracy condition, we demonstrate that the population EM algorithm converges exponentially fast in terms of the Kullback-Leibler (KL) distance. Our analysis leverages the strong convexity of the negative log-likelihood function in a neighborhood around the optimum and utilizes the Polyak-{\L}ojasiewicz inequality to establish that an $\epsilon$-accurate approximation is achievable in $O(\log(1/\epsilon))$ iterations. Furthermore, we extend these results to a finite-sample setting by deriving explicit statistical convergence guarantees. Numerical experiments on synthetic datasets corroborate our theoretical findings, highlighting the dramatic acceleration in convergence compared to conventional sublinear rates. This work not only deepens the understanding of EM's behavior in overspecified settings but also offers practical insights into initialization strategies and model design for high-dimensional clustering and density estimation tasks.
comment: ECML PKDD 2025
☆ Regression-adjusted Monte Carlo Estimators for Shapley Values and Probabilistic Values
With origins in game theory, probabilistic values like Shapley values, Banzhaf values, and semi-values have emerged as a central tool in explainable AI. They are used for feature attribution, data attribution, data valuation, and more. Since all of these values require exponential time to compute exactly, research has focused on efficient approximation methods using two techniques: Monte Carlo sampling and linear regression formulations. In this work, we present a new way of combining both of these techniques. Our approach is more flexible than prior algorithms, allowing for linear regression to be replaced with any function family whose probabilistic values can be computed efficiently. This allows us to harness the accuracy of tree-based models like XGBoost, while still producing unbiased estimates. From experiments across eight datasets, we find that our methods give state-of-the-art performance for estimating probabilistic values. For Shapley values, the error of our methods can be $6.5\times$ lower than Permutation SHAP (the most popular Monte Carlo method), $3.8\times$ lower than Kernel SHAP (the most popular linear regression method), and $2.6\times$ lower than Leverage SHAP (the prior state-of-the-art Shapley value estimator). For more general probabilistic values, we can obtain error $215\times$ lower than the best estimator from prior work.
☆ In Defense of Defensive Forecasting
This tutorial provides a survey of algorithms for Defensive Forecasting, where predictions are derived not by prognostication but by correcting past mistakes. Pioneered by Vovk, Defensive Forecasting frames the goal of prediction as a sequential game, and derives predictions to minimize metrics no matter what outcomes occur. We present an elementary introduction to this general theory and derive simple, near-optimal algorithms for online learning, calibration, prediction with expert advice, and online conformal prediction.
☆ TrustGLM: Evaluating the Robustness of GraphLLMs Against Prompt, Text, and Structure Attacks KDD 2025
Inspired by the success of large language models (LLMs), there is a significant research shift from traditional graph learning methods to LLM-based graph frameworks, formally known as GraphLLMs. GraphLLMs leverage the reasoning power of LLMs by integrating three key components: the textual attributes of input nodes, the structural information of node neighborhoods, and task-specific prompts that guide decision-making. Despite their promise, the robustness of GraphLLMs against adversarial perturbations remains largely unexplored-a critical concern for deploying these models in high-stakes scenarios. To bridge the gap, we introduce TrustGLM, a comprehensive study evaluating the vulnerability of GraphLLMs to adversarial attacks across three dimensions: text, graph structure, and prompt manipulations. We implement state-of-the-art attack algorithms from each perspective to rigorously assess model resilience. Through extensive experiments on six benchmark datasets from diverse domains, our findings reveal that GraphLLMs are highly susceptible to text attacks that merely replace a few semantically similar words in a node's textual attribute. We also find that standard graph structure attack methods can significantly degrade model performance, while random shuffling of the candidate label set in prompt templates leads to substantial performance drops. Beyond characterizing these vulnerabilities, we investigate defense techniques tailored to each attack vector through data-augmented training and adversarial training, which show promising potential to enhance the robustness of GraphLLMs. We hope that our open-sourced library will facilitate rapid, equitable evaluation and inspire further innovative research in this field.
comment: 12 pages, 5 figures, in KDD 2025
☆ Vision-based Lifting of 2D Object Detections for Automated Driving
Image-based 3D object detection is an inevitable part of autonomous driving because cheap onboard cameras are already available in most modern cars. Because of the accurate depth information, currently, most state-of-the-art 3D object detectors heavily rely on LiDAR data. In this paper, we propose a pipeline which lifts the results of existing vision-based 2D algorithms to 3D detections using only cameras as a cost-effective alternative to LiDAR. In contrast to existing approaches, we focus not only on cars but on all types of road users. To the best of our knowledge, we are the first using a 2D CNN to process the point cloud for each 2D detection to keep the computational effort as low as possible. Our evaluation on the challenging KITTI 3D object detection benchmark shows results comparable to state-of-the-art image-based approaches while having a runtime of only a third.
comment: https://ieeexplore.ieee.org/document/9190325
☆ Bayesian Optimization with Inexact Acquisition: Is Random Grid Search Sufficient?
Bayesian optimization (BO) is a widely used iterative algorithm for optimizing black-box functions. Each iteration requires maximizing an acquisition function, such as the upper confidence bound (UCB) or a sample path from the Gaussian process (GP) posterior, as in Thompson sampling (TS). However, finding an exact solution to these maximization problems is often intractable and computationally expensive. Reflecting such realistic situations, in this paper, we delve into the effect of inexact maximizers of the acquisition functions. Defining a measure of inaccuracy in acquisition solutions, we establish cumulative regret bounds for both GP-UCB and GP-TS without requiring exact solutions of acquisition function maximization. Our results show that under appropriate conditions on accumulated inaccuracy, inexact BO algorithms can still achieve sublinear cumulative regret. Motivated by such findings, we provide both theoretical justification and numerical validation for random grid search as an effective and computationally efficient acquisition function solver.
comment: This paper is accepted to UAI 2025
☆ CLEAN-MI: A Scalable and Efficient Pipeline for Constructing High-Quality Neurodata in Motor Imagery Paradigm
The construction of large-scale, high-quality datasets is a fundamental prerequisite for developing robust and generalizable foundation models in motor imagery (MI)-based brain-computer interfaces (BCIs). However, EEG signals collected from different subjects and devices are often plagued by low signal-to-noise ratio, heterogeneity in electrode configurations, and substantial inter-subject variability, posing significant challenges for effective model training. In this paper, we propose CLEAN-MI, a scalable and systematic data construction pipeline for constructing large-scale, efficient, and accurate neurodata in the MI paradigm. CLEAN-MI integrates frequency band filtering, channel template selection, subject screening, and marginal distribution alignment to systematically filter out irrelevant or low-quality data and standardize multi-source EEG datasets. We demonstrate the effectiveness of CLEAN-MI on multiple public MI datasets, achieving consistent improvements in data quality and classification performance.
comment: 10 pages, 6 figures
☆ Diffusion-Based Electrocardiography Noise Quantification via Anomaly Detection
Electrocardiography (ECG) signals are often degraded by noise, which complicates diagnosis in clinical and wearable settings. This study proposes a diffusion-based framework for ECG noise quantification via reconstruction-based anomaly detection, addressing annotation inconsistencies and the limited generalizability of conventional methods. We introduce a distributional evaluation using the Wasserstein-1 distance ($W_1$), comparing the reconstruction error distributions between clean and noisy ECGs to mitigate inconsistent annotations. Our final model achieved robust noise quantification using only three reverse diffusion steps. The model recorded a macro-average $W_1$ score of 1.308 across the benchmarks, outperforming the next-best method by over 48%. External validations demonstrated strong generalizability, supporting the exclusion of low-quality segments to enhance diagnostic accuracy and enable timely clinical responses to signal degradation. The proposed method enhances clinical decision-making, diagnostic accuracy, and real-time ECG monitoring capabilities, supporting future advancements in clinical and wearable ECG applications.
comment: This manuscript contains 17 pages, 10 figures, and 3 tables
☆ On the Performance of LLMs for Real Estate Appraisal KDD 2025
The real estate market is vital to global economies but suffers from significant information asymmetry. This study examines how Large Language Models (LLMs) can democratize access to real estate insights by generating competitive and interpretable house price estimates through optimized In-Context Learning (ICL) strategies. We systematically evaluate leading LLMs on diverse international housing datasets, comparing zero-shot, few-shot, market report-enhanced, and hybrid prompting techniques. Our results show that LLMs effectively leverage hedonic variables, such as property size and amenities, to produce meaningful estimates. While traditional machine learning models remain strong for pure predictive accuracy, LLMs offer a more accessible, interactive and interpretable alternative. Although self-explanations require cautious interpretation, we find that LLMs explain their predictions in agreement with state-of-the-art models, confirming their trustworthiness. Carefully selected in-context examples based on feature similarity and geographic proximity, significantly enhance LLM performance, yet LLMs struggle with overconfidence in price intervals and limited spatial reasoning. We offer practical guidance for structured prediction tasks through prompt optimization. Our findings highlight LLMs' potential to improve transparency in real estate appraisal and provide actionable insights for stakeholders.
comment: Accepted at ECML-PKDD 2025
☆ Persona-driven Simulation of Voting Behavior in the European Parliament with Large Language Models
Large Language Models (LLMs) display remarkable capabilities to understand or even produce political discourse, but have been found to consistently display a progressive left-leaning bias. At the same time, so-called persona or identity prompts have been shown to produce LLM behavior that aligns with socioeconomic groups that the base model is not aligned with. In this work, we analyze whether zero-shot persona prompting with limited information can accurately predict individual voting decisions and, by aggregation, accurately predict positions of European groups on a diverse set of policies. We evaluate if predictions are stable towards counterfactual arguments, different persona prompts and generation methods. Finally, we find that we can simulate voting behavior of Members of the European Parliament reasonably well with a weighted F1 score of approximately 0.793. Our persona dataset of politicians in the 2024 European Parliament and our code are available at https://github.com/dess-mannheim/european_parliament_simulation.
☆ Solving Inverse Problems in Stochastic Self-Organising Systems through Invariant Representations
Self-organising systems demonstrate how simple local rules can generate complex stochastic patterns. Many natural systems rely on such dynamics, making self-organisation central to understanding natural complexity. A fundamental challenge in modelling such systems is solving the inverse problem: finding the unknown causal parameters from macroscopic observations. This task becomes particularly difficult when observations have a strong stochastic component, yielding diverse yet equivalent patterns. Traditional inverse methods fail in this setting, as pixel-wise metrics cannot capture feature similarities between variable outcomes. In this work, we introduce a novel inverse modelling method specifically designed to handle stochasticity in the observable space, leveraging the capacity of visual embeddings to produce robust representations that capture perceptual invariances. By mapping the pattern representations onto an invariant embedding space, we can effectively recover unknown causal parameters without the need for handcrafted objective functions or heuristics. We evaluate the method on two canonical models--a reaction-diffusion system and an agent-based model of social segregation--and show that it reliably recovers parameters despite stochasticity in the outcomes. We further apply the method to real biological patterns, highlighting its potential as a tool for both theorists and experimentalists to investigate the dynamics underlying complex stochastic pattern formation.
comment: Preprint. Under review
☆ SEC-bench: Automated Benchmarking of LLM Agents on Real-World Software Security Tasks
Rigorous security-focused evaluation of large language model (LLM) agents is imperative for establishing trust in their safe deployment throughout the software development lifecycle. However, existing benchmarks largely rely on synthetic challenges or simplified vulnerability datasets that fail to capture the complexity and ambiguity encountered by security engineers in practice. We introduce SEC-bench, the first fully automated benchmarking framework for evaluating LLM agents on authentic security engineering tasks. SEC-bench employs a novel multi-agent scaffold that automatically constructs code repositories with harnesses, reproduces vulnerabilities in isolated environments, and generates gold patches for reliable evaluation. Our framework automatically creates high-quality software vulnerability datasets with reproducible artifacts at a cost of only $0.87 per instance. Using SEC-bench, we implement two critical software security tasks to rigorously evaluate LLM agents' capabilities: proof-of-concept (PoC) generation and vulnerability patching. A comprehensive evaluation of state-of-the-art LLM code agents reveals significant performance gaps, achieving at most 18.0% success in PoC generation and 34.0% in vulnerability patching on our complete dataset. These results highlight the crucial steps needed toward developing LLM agents that are more practical, intelligent, and autonomous for security engineering.
☆ Why Do Class-Dependent Evaluation Effects Occur with Time Series Feature Attributions? A Synthetic Data Investigation
Evaluating feature attribution methods represents a critical challenge in explainable AI (XAI), as researchers typically rely on perturbation-based metrics when ground truth is unavailable. However, recent work demonstrates that these evaluation metrics can show different performance across predicted classes within the same dataset. These "class-dependent evaluation effects" raise questions about whether perturbation analysis reliably measures attribution quality, with direct implications for XAI method development and the trustworthiness of evaluation techniques. We investigate under which conditions these class-dependent effects arise by conducting controlled experiments with synthetic time series data where ground truth feature locations are known. We systematically vary feature types and class contrasts across binary classification tasks, then compare perturbation-based degradation scores with ground truth-based precision-recall metrics using multiple attribution methods. Our experiments demonstrate that class-dependent effects emerge with both evaluation approaches even in simple scenarios with temporally localized features, triggered by basic variations in feature amplitude or temporal extent between classes. Most critically, we find that perturbation-based and ground truth metrics frequently yield contradictory assessments of attribution quality across classes, with weak correlations between evaluation approaches. These findings suggest that researchers should interpret perturbation-based metrics with care, as they may not always align with whether attributions correctly identify discriminating features. These findings reveal opportunities to reconsider what attribution evaluation actually measures and to develop more comprehensive evaluation frameworks that capture multiple dimensions of attribution quality.
☆ SSPINNpose: A Self-Supervised PINN for Inertial Pose and Dynamics Estimation
Accurate real-time estimation of human movement dynamics, including internal joint moments and muscle forces, is essential for applications in clinical diagnostics and sports performance monitoring. Inertial measurement units (IMUs) provide a minimally intrusive solution for capturing motion data, particularly when used in sparse sensor configurations. However, current real-time methods rely on supervised learning, where a ground truth dataset needs to be measured with laboratory measurement systems, such as optical motion capture. These systems are known to introduce measurement and processing errors and often fail to generalize to real-world or previously unseen movements, necessitating new data collection efforts that are time-consuming and impractical. To overcome these limitations, we propose SSPINNpose, a self-supervised, physics-informed neural network that estimates joint kinematics and kinetics directly from IMU data, without requiring ground truth labels for training. We run the network output through a physics model of the human body to optimize physical plausibility and generate virtual measurement data. Using this virtual sensor data, the network is trained directly on the measured sensor data instead of a ground truth. When compared to optical motion capture, SSPINNpose is able to accurately estimate joint angles and joint moments at an RMSD of 8.7 deg and 4.9 BWBH%, respectively, for walking and running at speeds up to 4.9 m/s at a latency of 3.5 ms. Furthermore, the framework demonstrates robustness across sparse sensor configurations and can infer the anatomical locations of the sensors. These results underscore the potential of SSPINNpose as a scalable and adaptable solution for real-time biomechanical analysis in both laboratory and field environments.
Self-supervised Learning of Echocardiographic Video Representations via Online Cluster Distillation
Self-supervised learning (SSL) has achieved major advances in natural images and video understanding, but challenges remain in domains like echocardiography (heart ultrasound) due to subtle anatomical structures, complex temporal dynamics, and the current lack of domain-specific pre-trained models. Existing SSL approaches such as contrastive, masked modeling, and clustering-based methods struggle with high intersample similarity, sensitivity to low PSNR inputs common in ultrasound, or aggressive augmentations that distort clinically relevant features. We present DISCOVR (Distilled Image Supervision for Cross Modal Video Representation), a self-supervised dual branch framework for cardiac ultrasound video representation learning. DISCOVR combines a clustering-based video encoder that models temporal dynamics with an online image encoder that extracts fine-grained spatial semantics. These branches are connected through a semantic cluster distillation loss that transfers anatomical knowledge from the evolving image encoder to the video encoder, enabling temporally coherent representations enriched with fine-grained semantic understanding. Evaluated on six echocardiography datasets spanning fetal, pediatric, and adult populations, DISCOVR outperforms both specialized video anomaly detection methods and state-of-the-art video-SSL baselines in zero-shot and linear probing setups, and achieves superior segmentation transfer.
☆ CLIP Meets Diffusion: A Synergistic Approach to Anomaly Detection
Anomaly detection is a complex problem due to the ambiguity in defining anomalies, the diversity of anomaly types (e.g., local and global defect), and the scarcity of training data. As such, it necessitates a comprehensive model capable of capturing both low-level and high-level features, even with limited data. To address this, we propose CLIPFUSION, a method that leverages both discriminative and generative foundation models. Specifically, the CLIP-based discriminative model excels at capturing global features, while the diffusion-based generative model effectively captures local details, creating a synergistic and complementary approach. Notably, we introduce a methodology for utilizing cross-attention maps and feature maps extracted from diffusion models specifically for anomaly detection. Experimental results on benchmark datasets (MVTec-AD, VisA) demonstrate that CLIPFUSION consistently outperforms baseline methods, achieving outstanding performance in both anomaly segmentation and classification. We believe that our method underscores the effectiveness of multi-modal and multi-model fusion in tackling the multifaceted challenges of anomaly detection, providing a scalable solution for real-world applications.
☆ Long-Short Alignment for Effective Long-Context Modeling in LLMs ICML 2025
Large language models (LLMs) have exhibited impressive performance and surprising emergent properties. However, their effectiveness remains limited by the fixed context window of the transformer architecture, posing challenges for long-context modeling. Among these challenges, length generalization -- the ability to generalize to sequences longer than those seen during training -- is a classical and fundamental problem. In this work, we propose a fresh perspective on length generalization, shifting the focus from the conventional emphasis on input features such as positional encodings or data structures to the output distribution of the model. Specifically, through case studies on synthetic tasks, we highlight the critical role of \textbf{long-short alignment} -- the consistency of output distributions across sequences of varying lengths. Extending this insight to natural language tasks, we propose a metric called Long-Short Misalignment to quantify this phenomenon, uncovering a strong correlation between the metric and length generalization performance. Building on these findings, we develop a regularization term that promotes long-short alignment during training. Extensive experiments validate the effectiveness of our approach, offering new insights for achieving more effective long-context modeling in LLMs. Code is available at https://github.com/PKU-ML/LongShortAlignment.
comment: ICML 2025
☆ Using Deep Operators to Create Spatio-temporal Surrogates for Dynamical Systems under Uncertainty
Spatio-temporal data, which consists of responses or measurements gathered at different times and positions, is ubiquitous across diverse applications of civil infrastructure. While SciML methods have made significant progress in tackling the issue of response prediction for individual time histories, creating a full spatial-temporal surrogate remains a challenge. This study proposes a novel variant of deep operator networks (DeepONets), namely the full-field Extended DeepONet (FExD), to serve as a spatial-temporal surrogate that provides multi-output response predictions for dynamical systems. The proposed FExD surrogate model effectively learns the full solution operator across multiple degrees of freedom by enhancing the expressiveness of the branch network and expanding the predictive capabilities of the trunk network. The proposed FExD surrogate is deployed to simultaneously capture the dynamics at several sensing locations along a testbed model of a cable-stayed bridge subjected to stochastic ground motions. The ensuing response predictions from the FExD are comprehensively compared against both a vanilla DeepONet and a modified spatio-temporal Extended DeepONet. The results demonstrate the proposed FExD can achieve both superior accuracy and computational efficiency, representing a significant advancement in operator learning for structural dynamics applications.
☆ Causal Effect Identification in Heterogeneous Environments from Higher-Order Moments
We investigate the estimation of the causal effect of a treatment variable on an outcome in the presence of a latent confounder. We first show that the causal effect is identifiable under certain conditions when data is available from multiple environments, provided that the target causal effect remains invariant across these environments. Secondly, we propose a moment-based algorithm for estimating the causal effect as long as only a single parameter of the data-generating mechanism varies across environments -- whether it be the exogenous noise distribution or the causal relationship between two variables. Conversely, we prove that identifiability is lost if both exogenous noise distributions of both the latent and treatment variables vary across environments. Finally, we propose a procedure to identify which parameter of the data-generating mechanism has varied across the environments and evaluate the performance of our proposed methods through experiments on synthetic data.
☆ Bias and Identifiability in the Bounded Confidence Model
Opinion dynamics models such as the bounded confidence models (BCMs) describe how a population can reach consensus, fragmentation, or polarization, depending on a few parameters. Connecting such models to real-world data could help understanding such phenomena, testing model assumptions. To this end, estimation of model parameters is a key aspect, and maximum likelihood estimation provides a principled way to tackle it. Here, our goal is to outline the properties of statistical estimators of the two key BCM parameters: the confidence bound and the convergence rate. We find that their maximum likelihood estimators present different characteristics: the one for the confidence bound presents a small-sample bias but is consistent, while the estimator of the convergence rate shows a persistent bias. Moreover, the joint parameter estimation is affected by identifiability issues for specific regions of the parameter space, as several local maxima are present in the likelihood function. Our results show how the analysis of the likelihood function is a fruitful approach for better understanding the pitfalls and possibilities of estimating the parameters of opinion dynamics models, and more in general, agent-based models, and for offering formal guarantees for their calibration.
comment: 13 pages, 8 figures
☆ Enabling automatic transcription of child-centered audio recordings from real-world environments
Longform audio recordings obtained with microphones worn by children-also known as child-centered daylong recordings-have become a standard method for studying children's language experiences and their impact on subsequent language development. Transcripts of longform speech audio would enable rich analyses at various linguistic levels, yet the massive scale of typical longform corpora prohibits comprehensive manual annotation. At the same time, automatic speech recognition (ASR)-based transcription faces significant challenges due to the noisy, unconstrained nature of real-world audio, and no existing study has successfully applied ASR to transcribe such data. However, previous attempts have assumed that ASR must process each longform recording in its entirety. In this work, we present an approach to automatically detect those utterances in longform audio that can be reliably transcribed with modern ASR systems, allowing automatic and relatively accurate transcription of a notable proportion of all speech in typical longform data. We validate the approach on four English longform audio corpora, showing that it achieves a median word error rate (WER) of 0% and a mean WER of 18% when transcribing 13% of the total speech in the dataset. In contrast, transcribing all speech without any filtering yields a median WER of 52% and a mean WER of 51%. We also compare word log-frequencies derived from the automatic transcripts with those from manual annotations and show that the frequencies correlate at r = 0.92 (Pearson) for all transcribed words and r = 0.98 for words that appear at least five times in the automatic transcripts. Overall, the work provides a concrete step toward increasingly detailed automated linguistic analyses of child-centered longform audio.
comment: pre-print
☆ Taxonomy of reduction matrices for Graph Coarsening
Graph coarsening aims to diminish the size of a graph to lighten its memory footprint, and has numerous applications in graph signal processing and machine learning. It is usually defined using a reduction matrix and a lifting matrix, which, respectively, allows to project a graph signal from the original graph to the coarsened one and back. This results in a loss of information measured by the so-called Restricted Spectral Approximation (RSA). Most coarsening frameworks impose a fixed relationship between the reduction and lifting matrices, generally as pseudo-inverses of each other, and seek to define a coarsening that minimizes the RSA. In this paper, we remark that the roles of these two matrices are not entirely symmetric: indeed, putting constraints on the lifting matrix alone ensures the existence of important objects such as the coarsened graph's adjacency matrix or Laplacian. In light of this, in this paper, we introduce a more general notion of reduction matrix, that is not necessarily the pseudo-inverse of the lifting matrix. We establish a taxonomy of ``admissible'' families of reduction matrices, discuss the different properties that they must satisfy and whether they admit a closed-form description or not. We show that, for a fixed coarsening represented by a fixed lifting matrix, the RSA can be further reduced simply by modifying the reduction matrix. We explore different examples, including some based on a constrained optimization process of the RSA. Since this criterion has also been linked to the performance of Graph Neural Networks, we also illustrate the impact of this choices on different node classification tasks on coarsened graphs.
☆ Data-driven approaches to inverse problems
Inverse problems are concerned with the reconstruction of unknown physical quantities using indirect measurements and are fundamental across diverse fields such as medical imaging, remote sensing, and material sciences. These problems serve as critical tools for visualizing internal structures beyond what is visible to the naked eye, enabling quantification, diagnosis, prediction, and discovery. However, most inverse problems are ill-posed, necessitating robust mathematical treatment to yield meaningful solutions. While classical approaches provide mathematically rigorous and computationally stable solutions, they are constrained by the ability to accurately model solution properties and implement them efficiently. A more recent paradigm considers deriving solutions to inverse problems in a data-driven manner. Instead of relying on classical mathematical modeling, this approach utilizes highly over-parameterized models, typically deep neural networks, which are adapted to specific inverse problems using carefully selected training data. Current approaches that follow this new paradigm distinguish themselves through solution accuracy paired with computational efficiency that was previously inconceivable. These notes offer an introduction to this data-driven paradigm for inverse problems. The first part of these notes will provide an introduction to inverse problems, discuss classical solution strategies, and present some applications. The second part will delve into modern data-driven approaches, with a particular focus on adversarial regularization and provably convergent linear plug-and-play denoisers. Throughout the presentation of these methodologies, their theoretical properties will be discussed, and numerical examples will be provided. The lecture series will conclude with a discussion of open problems and future perspectives in the field.
comment: Notes from Machine Learning: From Data to Mathematical Understanding (CIME 2023)
☆ Quantum Learning and Estimation for Distribution Networks and Energy Communities Coordination
Price signals from distribution networks (DNs) guide energy communities (ECs) to adjust energy usage, enabling effective coordination for reliable power system operation. However, this coordination faces significant challenges due to the limited availability of information (i.e., only the aggregated energy usage of ECs is available to DNs), and the high computational burden of accounting for uncertainties and the associated risks through numerous scenarios. To address these challenges, we propose a quantum learning and estimation approach to enhance coordination between DNs and ECs. Specifically, leveraging advanced quantum properties such as quantum superposition and entanglement, we develop a hybrid quantum temporal convolutional network-long short-term memory (Q-TCN-LSTM) model to establish an end-to-end mapping between ECs' responses and the price incentives from DNs. Moreover, we develop a quantum estimation method based on quantum amplitude estimation (QAE) and two phase-rotation circuits to significantly accelerate the optimization process under numerous uncertainty scenarios. Numerical experiments demonstrate that, compared to classical neural networks, the proposed Q-TCN-LSTM model improves the mapping accuracy by 69.2% while reducing the model size by 99.75% and the computation time by 93.9%. Compared to classical Monte Carlo simulation, QAE achieves comparable accuracy with a dramatic reduction in computational time (up to 99.99%) and requires significantly fewer computational resources.
comment: This is a manuscript submitted to PROTECTION AND CONTROL OF MODERN POWER SYSTEMS
☆ Relational GNNs Cannot Learn $C_2$ Features for Planning
Relational Graph Neural Networks (R-GNNs) are a GNN-based approach for learning value functions that can generalise to unseen problems from a given planning domain. R-GNNs were theoretically motivated by the well known connection between the expressive power of GNNs and $C_2$, first-order logic with two variables and counting. In the context of planning, $C_2$ features refer to the set of formulae in $C_2$ with relations defined by the unary and binary predicates of a planning domain. Some planning domains exhibit optimal value functions that can be decomposed as arithmetic expressions of $C_2$ features. We show that, contrary to empirical results, R-GNNs cannot learn value functions defined by $C_2$ features. We also identify prior GNN architectures for planning that may better learn value functions defined by $C_2$ features.
☆ Growing with Experience: Growing Neural Networks in Deep Reinforcement Learning
While increasingly large models have revolutionized much of the machine learning landscape, training even mid-sized networks for Reinforcement Learning (RL) is still proving to be a struggle. This, however, severely limits the complexity of policies we are able to learn. To enable increased network capacity while maintaining network trainability, we propose GrowNN, a simple yet effective method that utilizes progressive network growth during training. We start training a small network to learn an initial policy. Then we add layers without changing the encoded function. Subsequent updates can utilize the added layers to learn a more expressive policy, adding capacity as the policy's complexity increases. GrowNN can be seamlessly integrated into most existing RL agents. Our experiments on MiniHack and Mujoco show improved agent performance, with incrementally GrowNN-deeper networks outperforming their respective static counterparts of the same size by up to 48% on MiniHack Room and 72% on Ant.
comment: 3 pages
☆ Geometry-Aware Edge Pooling for Graph Neural Networks
Graph Neural Networks (GNNs) have shown significant success for graph-based tasks. Motivated by the prevalence of large datasets in real-world applications, pooling layers are crucial components of GNNs. By reducing the size of input graphs, pooling enables faster training and potentially better generalisation. However, existing pooling operations often optimise for the learning task at the expense of fundamental graph structures and interpretability. This leads to unreliable performance across varying dataset types, downstream tasks and pooling ratios. Addressing these concerns, we propose novel graph pooling layers for structure aware pooling via edge collapses. Our methods leverage diffusion geometry and iteratively reduce a graph's size while preserving both its metric structure and structural diversity. We guide pooling using magnitude, an isometry-invariant diversity measure, which permits us to control the fidelity of the pooling process. Further, we use the spread of a metric space as a faster and more stable alternative ensuring computational efficiency. Empirical results demonstrate that our methods (i) achieve superior performance compared to alternative pooling layers across a range of diverse graph classification tasks, (ii) preserve key spectral properties of the input graphs, and (iii) retain high accuracy across varying pooling ratios.
☆ Differential Privacy in Machine Learning: From Symbolic AI to LLMs
Machine learning models should not reveal particular information that is not otherwise accessible. Differential privacy provides a formal framework to mitigate privacy risks by ensuring that the inclusion or exclusion of any single data point does not significantly alter the output of an algorithm, thus limiting the exposure of private information. This survey paper explores the foundational definitions of differential privacy, reviews its original formulations and tracing its evolution through key research contributions. It then provides an in-depth examination of how DP has been integrated into machine learning models, analyzing existing proposals and methods to preserve privacy when training ML models. Finally, it describes how DP-based ML techniques can be evaluated in practice. %Finally, it discusses the broader implications of DP, highlighting its potential for public benefit, its real-world applications, and the challenges it faces, including vulnerabilities to adversarial attacks. By offering a comprehensive overview of differential privacy in machine learning, this work aims to contribute to the ongoing development of secure and responsible AI systems.
comment: arXiv admin note: text overlap with arXiv:2303.00654 by other authors
☆ On the performance of multi-fidelity and reduced-dimensional neural emulators for inference of physiologic boundary conditions
Solving inverse problems in cardiovascular modeling is particularly challenging due to the high computational cost of running high-fidelity simulations. In this work, we focus on Bayesian parameter estimation and explore different methods to reduce the computational cost of sampling from the posterior distribution by leveraging low-fidelity approximations. A common approach is to construct a surrogate model for the high-fidelity simulation itself. Another is to build a surrogate for the discrepancy between high- and low-fidelity models. This discrepancy, which is often easier to approximate, is modeled with either a fully connected neural network or a nonlinear dimensionality reduction technique that enables surrogate construction in a lower-dimensional space. A third possible approach is to treat the discrepancy between the high-fidelity and surrogate models as random noise and estimate its distribution using normalizing flows. This allows us to incorporate the approximation error into the Bayesian inverse problem by modifying the likelihood function. We validate five different methods which are variations of the above on analytical test cases by comparing them to posterior distributions derived solely from high-fidelity models, assessing both accuracy and computational cost. Finally, we demonstrate our approaches on two cardiovascular examples of increasing complexity: a lumped-parameter Windkessel model and a patient-specific three-dimensional anatomy.
☆ Predicting Patient Survival with Airway Biomarkers using nn-Unet/Radiomics
The primary objective of the AIIB 2023 competition is to evaluate the predictive significance of airway-related imaging biomarkers in determining the survival outcomes of patients with lung fibrosis.This study introduces a comprehensive three-stage approach. Initially, a segmentation network, namely nn-Unet, is employed to delineate the airway's structural boundaries. Subsequently, key features are extracted from the radiomic images centered around the trachea and an enclosing bounding box around the airway. This step is motivated by the potential presence of critical survival-related insights within the tracheal region as well as pertinent information encoded in the structure and dimensions of the airway. Lastly, radiomic features obtained from the segmented areas are integrated into an SVM classifier. We could obtain an overall-score of 0.8601 for the segmentation in Task 1 while 0.7346 for the classification in Task 2.
comment: 8 pages
☆ DISCO: Mitigating Bias in Deep Learning with Conditional Distance Correlation
During prediction tasks, models can use any signal they receive to come up with the final answer - including signals that are causally irrelevant. When predicting objects from images, for example, the lighting conditions could be correlated to different targets through selection bias, and an oblivious model might use these signals as shortcuts to discern between various objects. A predictor that uses lighting conditions instead of real object-specific details is obviously undesirable. To address this challenge, we introduce a standard anti-causal prediction model (SAM) that creates a causal framework for analyzing the information pathways influencing our predictor in anti-causal settings. We demonstrate that a classifier satisfying a specific conditional independence criterion will focus solely on the direct causal path from label to image, being counterfactually invariant to the remaining variables. Finally, we propose DISCO, a novel regularization strategy that uses conditional distance correlation to optimize for conditional independence in regression tasks. We can show that DISCO achieves competitive results in different bias mitigation experiments, deeming it a valid alternative to classical kernel-based methods.
☆ Deep Symmetric Autoencoders from the Eckart-Young-Schmidt Perspective
Deep autoencoders have become a fundamental tool in various machine learning applications, ranging from dimensionality reduction and reduced order modeling of partial differential equations to anomaly detection and neural machine translation. Despite their empirical success, a solid theoretical foundation for their expressiveness remains elusive, particularly when compared to classical projection-based techniques. In this work, we aim to take a step forward in this direction by presenting a comprehensive analysis of what we refer to as symmetric autoencoders, a broad class of deep learning architectures ubiquitous in the literature. Specifically, we introduce a formal distinction between different classes of symmetric architectures, analyzing their strengths and limitations from a mathematical perspective. For instance, we show that the reconstruction error of symmetric autoencoders with orthonormality constraints can be understood by leveraging the well-renowned Eckart-Young-Schmidt (EYS) theorem. As a byproduct of our analysis, we end up developing the EYS initialization strategy for symmetric autoencoders, which is based on an iterated application of the Singular Value Decomposition (SVD). To validate our findings, we conduct a series of numerical experiments where we benchmark our proposal against conventional deep autoencoders, discussing the importance of model design and initialization.
comment: 28 pages, 10 figures
☆ Recursive KalmanNet: Deep Learning-Augmented Kalman Filtering for State Estimation with Consistent Uncertainty Quantification
State estimation in stochastic dynamical systems with noisy measurements is a challenge. While the Kalman filter is optimal for linear systems with independent Gaussian white noise, real-world conditions often deviate from these assumptions, prompting the rise of data-driven filtering techniques. This paper introduces Recursive KalmanNet, a Kalman-filter-informed recurrent neural network designed for accurate state estimation with consistent error covariance quantification. Our approach propagates error covariance using the recursive Joseph's formula and optimizes the Gaussian negative log-likelihood. Experiments with non-Gaussian measurement white noise demonstrate that our model outperforms both the conventional Kalman filter and an existing state-of-the-art deep learning based estimator.
comment: 5 pages, 3 figures. Accepted for publication in EUSIPCO 2025 proceedings
☆ Evaluating Fairness and Mitigating Bias in Machine Learning: A Novel Technique using Tensor Data and Bayesian Regression
Fairness is a critical component of Trustworthy AI. In this paper, we focus on Machine Learning (ML) and the performance of model predictions when dealing with skin color. Unlike other sensitive attributes, the nature of skin color differs significantly. In computer vision, skin color is represented as tensor data rather than categorical values or single numerical points. However, much of the research on fairness across sensitive groups has focused on categorical features such as gender and race. This paper introduces a new technique for evaluating fairness in ML for image classification tasks, specifically without the use of annotation. To address the limitations of prior work, we handle tensor data, like skin color, without classifying it rigidly. Instead, we convert it into probability distributions and apply statistical distance measures. This novel approach allows us to capture fine-grained nuances in fairness both within and across what would traditionally be considered distinct groups. Additionally, we propose an innovative training method to mitigate the latent biases present in conventional skin tone categorization. This method leverages color distance estimates calculated through Bayesian regression with polynomial functions, ensuring a more nuanced and equitable treatment of skin color in ML models.
☆ Physically-informed change-point kernels for structural dynamics
The relative balance between physics and data within any physics-informed machine learner is an important modelling consideration to ensure that the benefits of both physics and data-based approaches are maximised. An over reliance on physical knowledge can be detrimental, particularly when the physics-based component of a model may not accurately represent the true underlying system. An underutilisation of physical knowledge potentially wastes a valuable resource, along with benefits in model interpretability and reduced demand for expensive data collection. Achieving an optimal physics-data balance is a challenging aspect of model design, particularly if the level varies through time; for example, one might have a physical approximation, only valid within particular regimes, or a physical phenomenon may be known to only occur when given conditions are met (e.g. at high temperatures). This paper develops novel, physically-informed, change-point kernels for Gaussian processes, capable of dynamically varying the reliance upon available physical knowledge. A high level of control is granted to a user, allowing for the definition of conditions in which they believe a phenomena should occur and the rate at which the knowledge should be phased in and out of a model. In circumstances where users may be less certain, the switching reliance upon physical knowledge may be automatically learned and recovered from the model in an interpretable and intuitive manner. Variation of the modelled noise based on the physical phenomena occurring is also implemented to provide a more representative capture of uncertainty alongside predictions. The capabilities of the new kernel structures are explored through the use of two engineering case studies: the directional wind loading of a cable-stayed bridge and the prediction of aircraft wing strain during in-flight manoeuvring.
comment: 26 pages, 14 figures, 2 tables, 38 references
☆ Convergent Linear Representations of Emergent Misalignment
Fine-tuning large language models on narrow datasets can cause them to develop broadly misaligned behaviours: a phenomena known as emergent misalignment. However, the mechanisms underlying this misalignment, and why it generalizes beyond the training domain, are poorly understood, demonstrating critical gaps in our knowledge of model alignment. In this work, we train and study a minimal model organism which uses just 9 rank-1 adapters to emergently misalign Qwen2.5-14B-Instruct. Studying this, we find that different emergently misaligned models converge to similar representations of misalignment. We demonstrate this convergence by extracting a 'misalignment direction' from one fine-tuned model's activations, and using it to effectively ablate misaligned behaviour from fine-tunes using higher dimensional LoRAs and different datasets. Leveraging the scalar hidden state of rank-1 LoRAs, we further present a set of experiments for directly interpreting the fine-tuning adapters, showing that six contribute to general misalignment, while two specialise for misalignment in just the fine-tuning domain. Emergent misalignment is a particularly salient example of undesirable and unexpected model behaviour and by advancing our understanding of the mechanisms behind it, we hope to move towards being able to better understand and mitigate misalignment more generally.
☆ Machine Unlearning for Robust DNNs: Attribution-Guided Partitioning and Neuron Pruning in Noisy Environments
Deep neural networks (DNNs) have achieved remarkable success across diverse domains, but their performance can be severely degraded by noisy or corrupted training data. Conventional noise mitigation methods often rely on explicit assumptions about noise distributions or require extensive retraining, which can be impractical for large-scale models. Inspired by the principles of machine unlearning, we propose a novel framework that integrates attribution-guided data partitioning, discriminative neuron pruning, and targeted fine-tuning to mitigate the impact of noisy samples. Our approach employs gradient-based attribution to probabilistically distinguish high-quality examples from potentially corrupted ones without imposing restrictive assumptions on the noise. It then applies regression-based sensitivity analysis to identify and prune neurons that are most vulnerable to noise. Finally, the resulting network is fine-tuned on the high-quality data subset to efficiently recover and enhance its generalization performance. This integrated unlearning-inspired framework provides several advantages over conventional noise-robust learning approaches. Notably, it combines data-level unlearning with model-level adaptation, thereby avoiding the need for full model retraining or explicit noise modeling. We evaluate our method on representative tasks (e.g., CIFAR-10 image classification and speech recognition) under various noise levels and observe substantial gains in both accuracy and efficiency. For example, our framework achieves approximately a 10% absolute accuracy improvement over standard retraining on CIFAR-10 with injected label noise, while reducing retraining time by up to 47% in some settings. These results demonstrate the effectiveness and scalability of the proposed approach for achieving robust generalization in noisy environments.
☆ Model Organisms for Emergent Misalignment
Recent work discovered Emergent Misalignment (EM): fine-tuning large language models on narrowly harmful datasets can lead them to become broadly misaligned. A survey of experts prior to publication revealed this was highly unexpected, demonstrating critical gaps in our understanding of model alignment. In this work, we both advance understanding and provide tools for future research. Using new narrowly misaligned datasets, we create a set of improved model organisms that achieve 99% coherence (vs. 67% prior), work with smaller 0.5B parameter models (vs. 32B), and that induce misalignment using a single rank-1 LoRA adapter. We demonstrate that EM occurs robustly across diverse model sizes, three model families, and numerous training protocols including full supervised fine-tuning. Leveraging these cleaner model organisms, we isolate a mechanistic phase transition and demonstrate that it corresponds to a robust behavioural phase transition in all studied organisms. Aligning large language models is critical for frontier AI safety, yet EM exposes how far we are from achieving this robustly. By distilling clean model organisms that isolate a minimal alignment-compromising change, and where this is learnt, we establish a foundation for future research into understanding and mitigating alignment risks in LLMs.
☆ KCES: Training-Free Defense for Robust Graph Neural Networks via Kernel Complexity
Graph Neural Networks (GNNs) have achieved impressive success across a wide range of graph-based tasks, yet they remain highly vulnerable to small, imperceptible perturbations and adversarial attacks. Although numerous defense methods have been proposed to address these vulnerabilities, many rely on heuristic metrics, overfit to specific attack patterns, and suffer from high computational complexity. In this paper, we propose Kernel Complexity-Based Edge Sanitization (KCES), a training-free, model-agnostic defense framework. KCES leverages Graph Kernel Complexity (GKC), a novel metric derived from the graph's Gram matrix that characterizes GNN generalization via its test error bound. Building on GKC, we define a KC score for each edge, measuring the change in GKC when the edge is removed. Edges with high KC scores, typically introduced by adversarial perturbations, are pruned to mitigate their harmful effects, thereby enhancing GNNs' robustness. KCES can also be seamlessly integrated with existing defense strategies as a plug-and-play module without requiring training. Theoretical analysis and extensive experiments demonstrate that KCES consistently enhances GNN robustness, outperforms state-of-the-art baselines, and amplifies the effectiveness of existing defenses, offering a principled and efficient solution for securing GNNs.
☆ EasyARC: Evaluating Vision Language Models on True Visual Reasoning CVPR2025
Building on recent advances in language-based reasoning models, we explore multimodal reasoning that integrates vision and text. Existing multimodal benchmarks primarily test visual extraction combined with text-based reasoning, lacking true visual reasoning with more complex interactions between vision and language. Inspired by the ARC challenge, we introduce EasyARC, a vision-language benchmark requiring multi-image, multi-step reasoning, and self-correction. EasyARC is procedurally generated, fully verifiable, and scalable, making it ideal for reinforcement learning (RL) pipelines. The generators incorporate progressive difficulty levels, enabling structured evaluation across task types and complexities. We benchmark state-of-the-art vision-language models and analyze their failure modes. We argue that EasyARC sets a new standard for evaluating true reasoning and test-time scaling capabilities in vision-language models. We open-source our benchmark dataset and evaluation code.
comment: CVPR2025 Workshop on Test-time Scaling for Computer Vision
☆ SecONNds: Secure Outsourced Neural Network Inference on ImageNet
The widespread adoption of outsourced neural network inference presents significant privacy challenges, as sensitive user data is processed on untrusted remote servers. Secure inference offers a privacy-preserving solution, but existing frameworks suffer from high computational overhead and communication costs, rendering them impractical for real-world deployment. We introduce SecONNds, a non-intrusive secure inference framework optimized for large ImageNet-scale Convolutional Neural Networks. SecONNds integrates a novel fully Boolean Goldreich-Micali-Wigderson (GMW) protocol for secure comparison -- addressing Yao's millionaires' problem -- using preprocessed Beaver's bit triples generated from Silent Random Oblivious Transfer. Our novel protocol achieves an online speedup of 17$\times$ in nonlinear operations compared to state-of-the-art solutions while reducing communication overhead. To further enhance performance, SecONNds employs Number Theoretic Transform (NTT) preprocessing and leverages GPU acceleration for homomorphic encryption operations, resulting in speedups of 1.6$\times$ on CPU and 2.2$\times$ on GPU for linear operations. We also present SecONNds-P, a bit-exact variant that ensures verifiable full-precision results in secure computation, matching the results of plaintext computations. Evaluated on a 37-bit quantized SqueezeNet model, SecONNds achieves an end-to-end inference time of 2.8 s on GPU and 3.6 s on CPU, with a total communication of just 420 MiB. SecONNds' efficiency and reduced computational load make it well-suited for deploying privacy-sensitive applications in resource-constrained environments. SecONNds is open source and can be accessed from: https://github.com/shashankballa/SecONNds.
☆ A Comparative Analysis of Influence Signals for Data Debugging ICML 2024
Improving the quality of training samples is crucial for improving the reliability and performance of ML models. In this paper, we conduct a comparative evaluation of influence-based signals for debugging training data. These signals can potentially identify both mislabeled and anomalous samples from a potentially noisy training set as we build the models and hence alleviate the need for dedicated glitch detectors. Although several influence-based signals (e.g., Self-Influence, Average Absolute Influence, Marginal Influence, GD-class) have been recently proposed in the literature, there are no experimental studies for assessing their power in detecting different glitch types (e.g., mislabeled and anomalous samples) under a common influence estimator (e.g., TraceIn) for different data modalities (image and tabular), and deep learning models (trained from scratch or foundation). Through extensive experiments, we show that signals like Self-Influence effectively detect mislabeled samples, but none of the existing signals can detect anomalies. Existing signals do not take into account the training dynamics, i.e., how the samples' influence on the model changes during training, while some signals fall into influence cancellation effects, i.e., influence score is zero due to unsigned scores accumulation, resulting in misleading influence attribution.
comment: Accepted and presented at the Data-centric Machine Learning Research (DMLR) Workshop at ICML 2024
☆ Gradients of unitary optical neural networks using parameter-shift rule
This paper explores the application of the parameter-shift rule (PSR) for computing gradients in unitary optical neural networks (UONNs). While backpropagation has been fundamental to training conventional neural networks, its implementation in optical neural networks faces significant challenges due to the physical constraints of optical systems. We demonstrate how PSR, which calculates gradients by evaluating functions at shifted parameter values, can be effectively adapted for training UONNs constructed from Mach-Zehnder interferometer meshes. The method leverages the inherent Fourier series nature of optical interference in these systems to compute exact analytical gradients directly from hardware measurements. This approach offers a promising alternative to traditional in silico training methods and circumvents the limitations of both finite difference approximations and all-optical backpropagation implementations. We present the theoretical framework and practical methodology for applying PSR to optimize phase parameters in optical neural networks, potentially advancing the development of efficient hardware-based training strategies for optical computing systems.
comment: 8 pages, 3 figures
☆ Learn to Preserve Personality: Federated Foundation Models in Recommendations
A core learning challenge for existed Foundation Models (FM) is striking the tradeoff between generalization with personalization, which is a dilemma that has been highlighted by various parameter-efficient adaptation techniques. Federated foundation models (FFM) provide a structural means to decouple shared knowledge from individual specific adaptations via decentralized processes. Recommendation systems offer a perfect testbed for FFMs, given their reliance on rich implicit feedback reflecting unique user characteristics. This position paper discusses a novel learning paradigm where FFMs not only harness their generalization capabilities but are specifically designed to preserve the integrity of user personality, illustrated thoroughly within the recommendation contexts. We envision future personal agents, powered by personalized adaptive FMs, guiding user decisions on content. Such an architecture promises a user centric, decentralized system where individuals maintain control over their personalized agents.
comment: 14 pages, 3 figures, conference, position paper
☆ Learning Encodings by Maximizing State Distinguishability: Variational Quantum Error Correction
Quantum error correction is crucial for protecting quantum information against decoherence. Traditional codes like the surface code require substantial overhead, making them impractical for near-term, early fault-tolerant devices. We propose a novel objective function for tailoring error correction codes to specific noise structures by maximizing the distinguishability between quantum states after a noise channel, ensuring efficient recovery operations. We formalize this concept with the distinguishability loss function, serving as a machine learning objective to discover resource-efficient encoding circuits optimized for given noise characteristics. We implement this methodology using variational techniques, termed variational quantum error correction (VarQEC). Our approach yields codes with desirable theoretical and practical properties and outperforms standard codes in various scenarios. We also provide proof-of-concept demonstrations on IBM and IQM hardware devices, highlighting the practical relevance of our procedure.
comment: 50 pages, 24 figures, 7 tables
☆ Improving Multimodal Learning Balance and Sufficiency through Data Remixing ICML2025
Different modalities hold considerable gaps in optimization trajectories, including speeds and paths, which lead to modality laziness and modality clash when jointly training multimodal models, resulting in insufficient and imbalanced multimodal learning. Existing methods focus on enforcing the weak modality by adding modality-specific optimization objectives, aligning their optimization speeds, or decomposing multimodal learning to enhance unimodal learning. These methods fail to achieve both unimodal sufficiency and multimodal balance. In this paper, we, for the first time, address both concerns by proposing multimodal Data Remixing, including decoupling multimodal data and filtering hard samples for each modality to mitigate modality imbalance; and then batch-level reassembling to align the gradient directions and avoid cross-modal interference, thus enhancing unimodal learning sufficiency. Experimental results demonstrate that our method can be seamlessly integrated with existing approaches, improving accuracy by approximately 6.50%$\uparrow$ on CREMAD and 3.41%$\uparrow$ on Kinetic-Sounds, without training set expansion or additional computational overhead during inference. The source code is available at \href{https://github.com/MatthewMaxy/Remix_ICML2025}{Data Remixing}.
comment: ICML2025
☆ FIMA-Q: Post-Training Quantization for Vision Transformers by Fisher Information Matrix Approximation CVPR 2025
Post-training quantization (PTQ) has stood out as a cost-effective and promising model compression paradigm in recent years, as it avoids computationally intensive model retraining. Nevertheless, current PTQ methods for Vision Transformers (ViTs) still suffer from significant accuracy degradation, especially under low-bit quantization. To address these shortcomings, we analyze the prevailing Hessian-guided quantization loss, and uncover certain limitations of conventional Hessian approximations. By following the block-wise reconstruction framework, we propose a novel PTQ method for ViTs, dubbed FIMA-Q. Specifically, we firstly establish the connection between KL divergence and FIM, which enables fast computation of the quantization loss during reconstruction. We further propose an efficient FIM approximation method, namely DPLR-FIM, by employing the diagonal plus low-rank principle, and formulate the ultimate quantization loss. Our extensive experiments, conducted across various vision tasks with representative ViT-based architectures on public datasets, demonstrate that our method substantially promotes the accuracy compared to the state-of-the-art approaches, especially in the case of low-bit quantization. The source code is available at https://github.com/ShiheWang/FIMA-Q.
comment: CVPR 2025 Highlight
☆ Robust Filtering -- Novel Statistical Learning and Inference Algorithms with Applications
State estimation or filtering serves as a fundamental task to enable intelligent decision-making in applications such as autonomous vehicles, robotics, healthcare monitoring, smart grids, intelligent transportation, and predictive maintenance. Standard filtering assumes prior knowledge of noise statistics to extract latent system states from noisy sensor data. However, real-world scenarios involve abnormalities like outliers, biases, drifts, and missing observations with unknown or partially known statistics, limiting conventional approaches. This thesis presents novel robust nonlinear filtering methods to mitigate these challenges. Based on insights from our filtering proposals, we extend the formulations to offline estimation/learning setups and propose smoothing extensions. Our methods leverage Bayesian inference frameworks, employing both deterministic and stochastic approximation techniques including Variational Inference (VI) and Particle Filters/Sequential Monte Carlo (SMC). We also study theoretical estimation limits using Bayesian Cram\'er-Rao bounds (BCRBs) in the context of measurement abnormalities. To validate the performance gains of the proposed methods, we perform simulations and experiments in scenarios including target tracking, indoor localization, 3D point cloud registration, mesh registration, and pose graph optimization. The fundamental nature of the work makes it useful in diverse applications, with possible future extensions toward developing outlier-robust machine learning pipelines, learning system dynamics from anomalous data, and addressing challenges in generative AI where standard diffusion models struggle with outliers, imbalanced datasets, and mode collapse.
comment: PhD Thesis
☆ Delayformer: spatiotemporal transformation for predicting high-dimensional dynamics
Predicting time-series is of great importance in various scientific and engineering fields. However, in the context of limited and noisy data, accurately predicting dynamics of all variables in a high-dimensional system is a challenging task due to their nonlinearity and also complex interactions. Current methods including deep learning approaches often perform poorly for real-world systems under such circumstances. This study introduces the Delayformer framework for simultaneously predicting dynamics of all variables, by developing a novel multivariate spatiotemporal information (mvSTI) transformation that makes each observed variable into a delay-embedded state (vector) and further cross-learns those states from different variables. From dynamical systems viewpoint, Delayformer predicts system states rather than individual variables, thus theoretically and computationally overcoming such nonlinearity and cross-interaction problems. Specifically, it first utilizes a single shared Visual Transformer (ViT) encoder to cross-represent dynamical states from observed variables in a delay embedded form and then employs distinct linear decoders for predicting next states, i.e. equivalently predicting all original variables parallelly. By leveraging the theoretical foundations of delay embedding theory and the representational capabilities of Transformers, Delayformer outperforms current state-of-the-art methods in forecasting tasks on both synthetic and real-world datasets. Furthermore, the potential of Delayformer as a foundational time-series model is demonstrated through cross-domain forecasting tasks, highlighting its broad applicability across various scenarios.
comment: This paper is currently under review
☆ Brewing Knowledge in Context: Distillation Perspectives on In-Context Learning
In-context learning (ICL) allows large language models (LLMs) to solve novel tasks without weight updates. Despite its empirical success, the mechanism behind ICL remains poorly understood, limiting our ability to interpret, improve, and reliably apply it. In this paper, we propose a new theoretical perspective that interprets ICL as an implicit form of knowledge distillation (KD), where prompt demonstrations guide the model to form a task-specific reference model during inference. Under this view, we derive a Rademacher complexity-based generalization bound and prove that the bias of the distilled weights grows linearly with the Maximum Mean Discrepancy (MMD) between the prompt and target distributions. This theoretical framework explains several empirical phenomena and unifies prior gradient-based and distributional analyses. To the best of our knowledge, this is the first to formalize inference-time attention as a distillation process, which provides theoretical insights for future prompt engineering and automated demonstration selection.
comment: 10 main pages, 10 page appendix
☆ Manager: Aggregating Insights from Unimodal Experts in Two-Tower VLMs and MLLMs
Two-Tower Vision--Language Models (VLMs) have demonstrated strong performance across various downstream VL tasks. While BridgeTower further enhances performance by building bridges between encoders, it \textit{(i)} suffers from ineffective layer-by-layer utilization of unimodal representations, \textit{(ii)} restricts the flexible exploitation of different levels of unimodal semantic knowledge, and \textit{(iii)} is limited to the evaluation on traditional low-resolution datasets only with the Two-Tower VLM architecture. In this work, we propose Manager, a lightweight, efficient and effective plugin that adaptively aggregates insights from different levels of pre-trained unimodal experts to facilitate more comprehensive VL alignment and fusion. First, under the Two-Tower VLM architecture, we introduce ManagerTower, a novel VLM that introduces the manager in each cross-modal layer. Whether with or without VL pre-training, ManagerTower outperforms previous strong baselines and achieves superior performance on 4 downstream VL tasks. Moreover, we extend our exploration to the latest Multimodal Large Language Model (MLLM) architecture. We demonstrate that LLaVA-OV-Manager significantly boosts the zero-shot performance of LLaVA-OV across different categories of capabilities, images, and resolutions on 20 downstream datasets, whether the multi-grid algorithm is enabled or not. In-depth analysis reveals that both our manager and the multi-grid algorithm can be viewed as a plugin that improves the visual representation by capturing more diverse visual details from two orthogonal perspectives (depth and width). Their synergy can mitigate the semantic ambiguity caused by the multi-grid algorithm and further improve performance. Code and models are available at https://github.com/LooperXX/ManagerTower.
comment: Accepted by IEEE Transactions on Circuits and Systems for Video Technology (TCSVT). June 2025. DOI: https://doi.org/10.1109/TCSVT.2025.3578266
☆ Prioritizing Alignment Paradigms over Task-Specific Model Customization in Time-Series LLMs
Recent advances in Large Language Models (LLMs) have enabled unprecedented capabilities for time-series reasoning in diverse real-world applications, including medical, financial, and spatio-temporal domains. However, existing approaches typically focus on task-specific model customization, such as forecasting and anomaly detection, while overlooking the data itself, referred to as time-series primitives, which are essential for in-depth reasoning. This position paper advocates a fundamental shift in approaching time-series reasoning with LLMs: prioritizing alignment paradigms grounded in the intrinsic primitives of time series data over task-specific model customization. This realignment addresses the core limitations of current time-series reasoning approaches, which are often costly, inflexible, and inefficient, by systematically accounting for intrinsic structure of data before task engineering. To this end, we propose three alignment paradigms: Injective Alignment, Bridging Alignment, and Internal Alignment, which are emphasized by prioritizing different aspects of time-series primitives: domain, characteristic, and representation, respectively, to activate time-series reasoning capabilities of LLMs to enable economical, flexible, and efficient reasoning. We further recommend that practitioners adopt an alignment-oriented method to avail this instruction to select an appropriate alignment paradigm. Additionally, we categorize relevant literature into these alignment paradigms and outline promising research directions.
☆ Task-Driven Discrete Representation Learning
In recent years, deep discrete representation learning (DRL) has achieved significant success across various domains. Most DRL frameworks (e.g., the widely used VQ-VAE and its variants) have primarily focused on generative settings, where the quality of a representation is implicitly gauged by the fidelity of its generation. In fact, the goodness of a discrete representation remain ambiguously defined across the literature. In this work, we adopt a practical approach that examines DRL from a task-driven perspective. We propose a unified framework that explores the usefulness of discrete features in relation to downstream tasks, with generation naturally viewed as one possible application. In this context, the properties of discrete representations as well as the way they benefit certain tasks are also relatively understudied. We therefore provide an additional theoretical analysis of the trade-off between representational capacity and sample complexity, shedding light on how discrete representation utilization impacts task performance. Finally, we demonstrate the flexibility and effectiveness of our framework across diverse applications.
☆ Machine Learning-Based Quantification of Vesicoureteral Reflux with Enhancing Accuracy and Efficiency
Vesicoureteral reflux (VUR) is traditionally assessed using subjective grading systems, which introduces variability in diagnosis. This study investigates the use of machine learning to improve diagnostic consistency by analyzing voiding cystourethrogram (VCUG) images. A total of 113 VCUG images were reviewed, with expert grading of VUR severity. Nine image-based features were selected to train six predictive models: Logistic Regression, Decision Tree, Gradient Boosting, Neural Network, and Stochastic Gradient Descent. The models were evaluated using leave-one-out cross-validation. Analysis identified deformation patterns in the renal calyces as key indicators of high-grade VUR. All models achieved accurate classifications with no false positives or negatives. High sensitivity to subtle image patterns characteristic of different VUR grades was confirmed by substantial Area Under the Curve (AUC) values. The results suggest that machine learning can offer an objective and standardized alternative to current subjective VUR assessments. These findings highlight renal calyceal deformation as a strong predictor of severe cases. Future research should aim to expand the dataset, refine imaging features, and improve model generalizability for broader clinical use.
☆ Diabetes Prediction and Management Using Machine Learning Approaches
Diabetes has emerged as a significant global health issue, especially with the increasing number of cases in many countries. This trend Underlines the need for a greater emphasis on early detection and proactive management to avert or mitigate the severe health complications of this disease. Over recent years, machine learning algorithms have shown promising potential in predicting diabetes risk and are beneficial for practitioners. Objective: This study highlights the prediction capabilities of statistical and non-statistical machine learning methods over Diabetes risk classification in 768 samples from the Pima Indians Diabetes Database. It consists of the significant demographic and clinical features of age, body mass index (BMI) and blood glucose levels that greatly depend on the vulnerability against Diabetes. The experimentation assesses the various types of machine learning algorithms in terms of accuracy and effectiveness regarding diabetes prediction. These algorithms include Logistic Regression, Decision Tree, Random Forest, K-Nearest Neighbors, Naive Bayes, Support Vector Machine, Gradient Boosting and Neural Network Models. The results show that the Neural Network algorithm gained the highest predictive accuracy with 78,57 %, and then the Random Forest algorithm had the second position with 76,30 % accuracy. These findings show that machine learning techniques are not just highly effective. Still, they also can potentially act as early screening tools in predicting Diabetes within a data-driven fashion with valuable information on who is more likely to get affected. In addition, this study can help to realize the potential of machine learning for timely intervention over the longer term, which is a step towards reducing health outcomes and disease burden attributable to Diabetes on healthcare systems
☆ SemanticST: Spatially Informed Semantic Graph Learning for1 Clustering, Integration, and Scalable Analysis of Spatial2 Transcriptomics
Spatial transcriptomics (ST) technologies enable gene expression profiling with spatial resolution, offering unprecedented insights into tissue organization and disease heterogeneity. However, current analysis methods often struggle with noisy data, limited scalability, and inadequate modelling of complex cellular relationships. We present SemanticST, a biologically informed, graph-based deep learning framework that models diverse cellular contexts through multi-semantic graph construction. SemanticST builds multiple context-specific graphs capturing spatial proximity, gene expression similarity, and tissue domain structure, and learns disentangled embeddings for each. These are fused using an attention-inspired strategy to yield a unified, biologically meaningful representation. A community-aware min-cut loss improves robustness over contrastive learning, particularly in sparse ST data. SemanticST supports mini-batch training, making it the first graph neural network scalable to large-scale datasets such as Xenium (500,000 cells). Benchmarking across four platforms (Visium, Slide-seq, Stereo-seq, Xenium) and multiple human and mouse tissues shows consistent 20 percentage gains in ARI, NMI, and trajectory fidelity over DeepST, GraphST, and IRIS. In re-analysis of breast cancer Xenium data, SemanticST revealed rare and clinically significant niches, including triple receptor-positive clusters, spatially distinct DCIS-to-IDC transition zones, and FOXC2 tumour-associated myoepithelial cells, suggesting non-canonical EMT programs with stem-like features. SemanticST thus provides a scalable, interpretable, and biologically grounded framework for spatial transcriptomics analysis, enabling robust discovery across tissue types and diseases, and paving the way for spatially resolved tissue atlases and next-generation precision medicine.
comment: 6 Figures
☆ LearnAlign: Reasoning Data Selection for Reinforcement Learning in Large Language Models Based on Improved Gradient Alignment
Reinforcement learning (RL) has become a key technique for enhancing LLMs' reasoning abilities, yet its data inefficiency remains a major bottleneck. To address this critical yet challenging issue, we present a novel gradient-alignment-based method, named LearnAlign, which intelligently selects the learnable and representative training reasoning data for RL post-training. To overcome the well-known issue of response-length bias in gradient norms, we introduce the data learnability based on the success rate, which can indicate the learning potential of each data point. Experiments across three mathematical reasoning benchmarks demonstrate that our method significantly reduces training data requirements while achieving minor performance degradation or even improving performance compared to full-data training. For example, it reduces data requirements by up to 1,000 data points with better performance (77.53%) than that on the full dataset on GSM8K benchmark (77.04%). Furthermore, we show its effectiveness in the staged RL setting. This work provides valuable insights into data-efficient RL post-training and establishes a foundation for future research in optimizing reasoning data selection.To facilitate future work, we will release code.
☆ LiLAC: A Lightweight Latent ControlNet for Musical Audio Generation
Text-to-audio diffusion models produce high-quality and diverse music but many, if not most, of the SOTA models lack the fine-grained, time-varying controls essential for music production. ControlNet enables attaching external controls to a pre-trained generative model by cloning and fine-tuning its encoder on new conditionings. However, this approach incurs a large memory footprint and restricts users to a fixed set of controls. We propose a lightweight, modular architecture that considerably reduces parameter count while matching ControlNet in audio quality and condition adherence. Our method offers greater flexibility and significantly lower memory usage, enabling more efficient training and deployment of independent controls. We conduct extensive objective and subjective evaluations and provide numerous audio examples on the accompanying website at https://lightlatentcontrol.github.io
comment: Accepted at ISMIR 2025
☆ On the Natural Robustness of Vision-Language Models Against Visual Perception Attacks in Autonomous Driving
Autonomous vehicles (AVs) rely on deep neural networks (DNNs) for critical tasks such as traffic sign recognition (TSR), automated lane centering (ALC), and vehicle detection (VD). However, these models are vulnerable to attacks that can cause misclassifications and compromise safety. Traditional defense mechanisms, including adversarial training, often degrade benign accuracy and fail to generalize against unseen attacks. In this work, we introduce Vehicle Vision Language Models (V2LMs), fine-tuned vision-language models specialized for AV perception. Our findings demonstrate that V2LMs inherently exhibit superior robustness against unseen attacks without requiring adversarial training, maintaining significantly higher accuracy than conventional DNNs under adversarial conditions. We evaluate two deployment strategies: Solo Mode, where individual V2LMs handle specific perception tasks, and Tandem Mode, where a single unified V2LM is fine-tuned for multiple tasks simultaneously. Experimental results reveal that DNNs suffer performance drops of 33% to 46% under attacks, whereas V2LMs maintain adversarial accuracy with reductions of less than 8% on average. The Tandem Mode further offers a memory-efficient alternative while achieving comparable robustness to Solo Mode. We also explore integrating V2LMs as parallel components to AV perception to enhance resilience against adversarial threats. Our results suggest that V2LMs offer a promising path toward more secure and resilient AV perception systems.
☆ Position Paper: Rethinking AI/ML for Air Interface in Wireless Networks
AI/ML research has predominantly been driven by domains such as computer vision, natural language processing, and video analysis. In contrast, the application of AI/ML to wireless networks, particularly at the air interface, remains in its early stages. Although there are emerging efforts to explore this intersection, fully realizing the potential of AI/ML in wireless communications requires a deep interdisciplinary understanding of both fields. We provide an overview of AI/ML-related discussions in 3GPP standardization, highlighting key use cases, architectural considerations, and technical requirements. We outline open research challenges and opportunities where academic and industrial communities can contribute to shaping the future of AI-enabled wireless systems.
☆ RollingQ: Reviving the Cooperation Dynamics in Multimodal Transformer ICML 2025
Multimodal learning faces challenges in effectively fusing information from diverse modalities, especially when modality quality varies across samples. Dynamic fusion strategies, such as attention mechanism in Transformers, aim to address such challenge by adaptively emphasizing modalities based on the characteristics of input data. However, through amounts of carefully designed experiments, we surprisingly observed that the dynamic adaptability of widely-used self-attention models diminishes. Model tends to prefer one modality regardless of data characteristics. This bias triggers a self-reinforcing cycle that progressively overemphasizes the favored modality, widening the distribution gap in attention keys across modalities and deactivating attention mechanism's dynamic properties. To revive adaptability, we propose a simple yet effective method Rolling Query (RollingQ), which balances attention allocation by rotating the query to break the self-reinforcing cycle and mitigate the key distribution gap. Extensive experiments on various multimodal scenarios validate the effectiveness of RollingQ and the restoration of cooperation dynamics is pivotal for enhancing the broader capabilities of widely deployed multimodal Transformers. The source code is available at https://github.com/GeWu-Lab/RollingQ_ICML2025.
comment: Accepted by ICML 2025
☆ Fast Bayesian Optimization of Function Networks with Partial Evaluations
Bayesian optimization of function networks (BOFN) is a framework for optimizing expensive-to-evaluate objective functions structured as networks, where some nodes' outputs serve as inputs for others. Many real-world applications, such as manufacturing and drug discovery, involve function networks with additional properties - nodes that can be evaluated independently and incur varying costs. A recent BOFN variant, p-KGFN, leverages this structure and enables cost-aware partial evaluations, selectively querying only a subset of nodes at each iteration. p-KGFN reduces the number of expensive objective function evaluations needed but has a large computational overhead: choosing where to evaluate requires optimizing a nested Monte Carlo-based acquisition function for each node in the network. To address this, we propose an accelerated p-KGFN algorithm that reduces computational overhead with only a modest loss in query efficiency. Key to our approach is generation of node-specific candidate inputs for each node in the network via one inexpensive global Monte Carlo simulation. Numerical experiments show that our method maintains competitive query efficiency while achieving up to a 16x speedup over the original p-KGFN algorithm.
comment: 16 pages, 8 figures, 1 table
☆ Voxel-Level Brain States Prediction Using Swin Transformer
Understanding brain dynamics is important for neuroscience and mental health. Functional magnetic resonance imaging (fMRI) enables the measurement of neural activities through blood-oxygen-level-dependent (BOLD) signals, which represent brain states. In this study, we aim to predict future human resting brain states with fMRI. Due to the 3D voxel-wise spatial organization and temporal dependencies of the fMRI data, we propose a novel architecture which employs a 4D Shifted Window (Swin) Transformer as encoder to efficiently learn spatio-temporal information and a convolutional decoder to enable brain state prediction at the same spatial and temporal resolution as the input fMRI data. We used 100 unrelated subjects from the Human Connectome Project (HCP) for model training and testing. Our novel model has shown high accuracy when predicting 7.2s resting-state brain activities based on the prior 23.04s fMRI time series. The predicted brain states highly resemble BOLD contrast and dynamics. This work shows promising evidence that the spatiotemporal organization of the human brain can be learned by a Swin Transformer model, at high resolution, which provides a potential for reducing the fMRI scan time and the development of brain-computer interfaces in the future.
☆ Dynamic Sparse Training of Diagonally Sparse Networks
Recent advances in Dynamic Sparse Training (DST) have pushed the frontier of sparse neural network training in structured and unstructured contexts, matching dense-model performance while drastically reducing parameter counts to facilitate model scaling. However, unstructured sparsity often fails to translate into practical speedups on modern hardware. To address this shortcoming, we propose DynaDiag, a novel structured sparse-to-sparse DST method that performs at par with unstructured sparsity. DynaDiag enforces a diagonal sparsity pattern throughout training and preserves sparse computation in forward and backward passes. We further leverage the diagonal structure to accelerate computation via a custom CUDA kernel, rendering the method hardware-friendly. Empirical evaluations on diverse neural architectures demonstrate that our method maintains accuracy on par with unstructured counterparts while benefiting from tangible computational gains. Notably, with 90% sparse linear layers in ViTs, we observe up to a 3.13x speedup in online inference without sacrificing model performance and a 1.59x speedup in training on a GPU compared to equivalent unstructured layers. Our source code is available at https://github.com/horizon-research/DynaDiag/.
☆ ReVeal: Self-Evolving Code Agents via Iterative Generation-Verification
Recent advances in reinforcement learning (RL) with verifiable outcome rewards have significantly improved the reasoning capabilities of large language models (LLMs), especially when combined with multi-turn tool interactions. However, existing methods lack both meaningful verification signals from realistic environments and explicit optimization for verification, leading to unreliable self-verification. To address these limitations, we propose ReVeal, a multi-turn reinforcement learning framework that interleaves code generation with explicit self-verification and tool-based evaluation. ReVeal enables LLMs to autonomously generate test cases, invoke external tools for precise feedback, and improves performance via a customized RL algorithm with dense, per-turn rewards. As a result, ReVeal fosters the co-evolution of a model's generation and verification capabilities through RL training, expanding the reasoning boundaries of the base model, demonstrated by significant gains in Pass@k on LiveCodeBench. It also enables test-time scaling into deeper inference regimes, with code consistently evolving as the number of turns increases during inference, ultimately surpassing DeepSeek-R1-Zero-Qwen-32B. These findings highlight the promise of ReVeal as a scalable and effective paradigm for building more robust and autonomous AI agents.
☆ TruncQuant: Truncation-Ready Quantization for DNNs with Flexible Weight Bit Precision
The deployment of deep neural networks on edge devices is a challenging task due to the increasing complexity of state-of-the-art models, requiring efforts to reduce model size and inference latency. Recent studies explore models operating at diverse quantization settings to find the optimal point that balances computational efficiency and accuracy. Truncation, an effective approach for achieving lower bit precision mapping, enables a single model to adapt to various hardware platforms with little to no cost. However, formulating a training scheme for deep neural networks to withstand the associated errors introduced by truncation remains a challenge, as the current quantization-aware training schemes are not designed for the truncation process. We propose TruncQuant, a novel truncation-ready training scheme allowing flexible bit precision through bit-shifting in runtime. We achieve this by aligning TruncQuant with the output of the truncation process, demonstrating strong robustness across bit-width settings, and offering an easily implementable training scheme within existing quantization-aware frameworks. Our code is released at https://github.com/a2jinhee/TruncQuant.
☆ Deep Learning Model Acceleration and Optimization Strategies for Real-Time Recommendation Systems
With the rapid growth of Internet services, recommendation systems play a central role in delivering personalized content. Faced with massive user requests and complex model architectures, the key challenge for real-time recommendation systems is how to reduce inference latency and increase system throughput without sacrificing recommendation quality. This paper addresses the high computational cost and resource bottlenecks of deep learning models in real-time settings by proposing a combined set of modeling- and system-level acceleration and optimization strategies. At the model level, we dramatically reduce parameter counts and compute requirements through lightweight network design, structured pruning, and weight quantization. At the system level, we integrate multiple heterogeneous compute platforms and high-performance inference libraries, and we design elastic inference scheduling and load-balancing mechanisms based on real-time load characteristics. Experiments show that, while maintaining the original recommendation accuracy, our methods cut latency to less than 30% of the baseline and more than double system throughput, offering a practical solution for deploying large-scale online recommendation services.
☆ PPDiff: Diffusing in Hybrid Sequence-Structure Space for Protein-Protein Complex Design
Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets on demand, without extensive rounds of wet-lab testing, remains a significant challenge. Here, we introduce PPDiff, a diffusion model to jointly design the sequence and structure of binders for arbitrary protein targets in a non-autoregressive manner. PPDiffbuilds upon our developed Sequence Structure Interleaving Network with Causal attention layers (SSINC), which integrates interleaved self-attention layers to capture global amino acid correlations, k-nearest neighbor (kNN) equivariant graph layers to model local interactions in three-dimensional (3D) space, and causal attention layers to simplify the intricate interdependencies within the protein sequence. To assess PPDiff, we curate PPBench, a general protein-protein complex dataset comprising 706,360 complexes from the Protein Data Bank (PDB). The model is pretrained on PPBenchand finetuned on two real-world applications: target-protein mini-binder complex design and antigen-antibody complex design. PPDiffconsistently surpasses baseline methods, achieving success rates of 50.00%, 23.16%, and 16.89% for the pretraining task and the two downstream applications, respectively.
☆ Bias Amplification in RAG: Poisoning Knowledge Retrieval to Steer LLMs
In Large Language Models, Retrieval-Augmented Generation (RAG) systems can significantly enhance the performance of large language models by integrating external knowledge. However, RAG also introduces new security risks. Existing research focuses mainly on how poisoning attacks in RAG systems affect model output quality, overlooking their potential to amplify model biases. For example, when querying about domestic violence victims, a compromised RAG system might preferentially retrieve documents depicting women as victims, causing the model to generate outputs that perpetuate gender stereotypes even when the original query is gender neutral. To show the impact of the bias, this paper proposes a Bias Retrieval and Reward Attack (BRRA) framework, which systematically investigates attack pathways that amplify language model biases through a RAG system manipulation. We design an adversarial document generation method based on multi-objective reward functions, employ subspace projection techniques to manipulate retrieval results, and construct a cyclic feedback mechanism for continuous bias amplification. Experiments on multiple mainstream large language models demonstrate that BRRA attacks can significantly enhance model biases in dimensions. In addition, we explore a dual stage defense mechanism to effectively mitigate the impacts of the attack. This study reveals that poisoning attacks in RAG systems directly amplify model output biases and clarifies the relationship between RAG system security and model fairness. This novel potential attack indicates that we need to keep an eye on the fairness issues of the RAG system.
☆ Byzantine Outside, Curious Inside: Reconstructing Data Through Malicious Updates
Federated learning (FL) enables decentralized machine learning without sharing raw data, allowing multiple clients to collaboratively learn a global model. However, studies reveal that privacy leakage is possible under commonly adopted FL protocols. In particular, a server with access to client gradients can synthesize data resembling the clients' training data. In this paper, we introduce a novel threat model in FL, named the maliciously curious client, where a client manipulates its own gradients with the goal of inferring private data from peers. This attacker uniquely exploits the strength of a Byzantine adversary, traditionally aimed at undermining model robustness, and repurposes it to facilitate data reconstruction attack. We begin by formally defining this novel client-side threat model and providing a theoretical analysis that demonstrates its ability to achieve significant reconstruction success during FL training. To demonstrate its practical impact, we further develop a reconstruction algorithm that combines gradient inversion with malicious update strategies. Our analysis and experimental results reveal a critical blind spot in FL defenses: both server-side robust aggregation and client-side privacy mechanisms may fail against our proposed attack. Surprisingly, standard server- and client-side defenses designed to enhance robustness or privacy may unintentionally amplify data leakage. Compared to the baseline approach, a mistakenly used defense may instead improve the reconstructed image quality by 10-15%.
☆ LoRA Users Beware: A Few Spurious Tokens Can Manipulate Your Finetuned Model
Parameter Efficient FineTuning (PEFT), such as Low-Rank Adaptation (LoRA), aligns pre-trained Large Language Models (LLMs) to particular downstream tasks in a resource-efficient manner. Because efficiency has been the main metric of progress, very little attention has been put in understanding possible catastrophic failures. We uncover one such failure: PEFT encourages a model to search for shortcut solutions to solve its fine-tuning tasks. When very small amount of tokens, e.g., one token per prompt, are correlated with downstream task classes, PEFT makes any pretrained model rely predominantly on that token for decision making. While such spurious tokens may emerge accidentally from incorrect data cleaning, it also opens opportunities for malevolent parties to control a model's behavior from Seamless Spurious Token Injection (SSTI). In SSTI, a small amount of tokens correlated with downstream classes are injected by the dataset creators. At test time, the finetuned LLM's behavior can be controlled solely by injecting those few tokens. We apply SSTI across models from three families (Snowflake Arctic, Apple OpenELM, and Meta LLaMA-3) and four diverse datasets (IMDB, Financial Classification, CommonSense QA, and Bias in Bios). Our findings reveal three astonishing behaviors. First, as few as a single token of SSTI is sufficient to steer a model's decision making. Second, for light SSTI, the reliance on spurious tokens is proportional to the LoRA rank. Lastly, with aggressive SSTI, larger LoRA rank values become preferable to small rank values as it makes the model attend to non-spurious tokens, hence improving robustness.
comment: 29 pages, 16 figures, 15 tables. Submitted for publication. for associated blog post, see https://pradyut3501.github.io/lora-spur-corr/
☆ FIGNN: Feature-Specific Interpretability for Graph Neural Network Surrogate Models
This work presents a novel graph neural network (GNN) architecture, the Feature-specific Interpretable Graph Neural Network (FIGNN), designed to enhance the interpretability of deep learning surrogate models defined on unstructured grids in scientific applications. Traditional GNNs often obscure the distinct spatial influences of different features in multivariate prediction tasks. FIGNN addresses this limitation by introducing a feature-specific pooling strategy, which enables independent attribution of spatial importance for each predicted variable. Additionally, a mask-based regularization term is incorporated into the training objective to explicitly encourage alignment between interpretability and predictive error, promoting localized attribution of model performance. The method is evaluated for surrogate modeling of two physically distinct systems: the SPEEDY atmospheric circulation model and the backward-facing step (BFS) fluid dynamics benchmark. Results demonstrate that FIGNN achieves competitive predictive performance while revealing physically meaningful spatial patterns unique to each feature. Analysis of rollout stability, feature-wise error budgets, and spatial mask overlays confirm the utility of FIGNN as a general-purpose framework for interpretable surrogate modeling in complex physical domains.
☆ The Effect of Stochasticity in Score-Based Diffusion Sampling: a KL Divergence Analysis
Sampling in score-based diffusion models can be performed by solving either a probability flow ODE or a reverse-time stochastic differential equation (SDE) parameterized by an arbitrary stochasticity parameter. In this work, we study the effect of stochasticity on the generation process through bounds on the Kullback-Leibler (KL) divergence and complement the analysis with numerical and analytical examples. Our results apply to general forward SDEs with additive noise and Lipschitz-continuous score functions, and quantify how errors from the prior distribution and score approximation propagate under different choices of the stochasticity parameter. The theoretical bounds are derived using log-Sobolev inequalities for the marginals of the forward process, which enable a more effective control of the KL divergence decay along sampling. For exact score functions, we find that stochasticity acts as an error-correcting mechanism, decreasing KL divergence along the sampling trajectory. For an approximate score function, there is a trade-off between error correction and score error amplification, so that stochasticity can either improve or worsen the performance, depending on the structure of the score error. Numerical experiments on simple datasets and a fully analytical example are included to illustrate and enlighten the theoretical results.
☆ EDN: A Novel Edge-Dependent Noise Model for Graph Data
An important structural feature of a graph is its set of edges, as it captures the relationships among the nodes (the graph's topology). Existing node label noise models like Symmetric Label Noise (SLN) and Class Conditional Noise (CCN) disregard this important node relationship in graph data; and the Edge-Dependent Noise (EDN) model addresses this limitation. EDN posits that in real-world scenarios, label noise may be influenced by the connections between nodes. We explore three variants of EDN. A crucial notion that relates nodes and edges in a graph is the degree of a node; we show that in all three variants, the probability of a node's label corruption is dependent on its degree. Additionally, we compare the dependence of these probabilities on node degree across different variants. We performed experiments on popular graph datasets using 5 different GNN architectures and 8 noise robust algorithms for graph data. The results demonstrate that 2 variants of EDN lead to greater performance degradation in both Graph Neural Networks (GNNs) and existing noise-robust algorithms, as compared to traditional node label noise models. We statistically verify this by posing a suitable hypothesis-testing problem. This emphasizes the importance of incorporating EDN when evaluating noise robust algorithms for graphs, to enhance the reliability of graph-based learning in noisy environments.
Cartridges: Lightweight and general-purpose long context representations via self-study
Large language models are often used to answer queries grounded in large text corpora (e.g. codebases, legal documents, or chat histories) by placing the entire corpus in the context window and leveraging in-context learning (ICL). Although current models support contexts of 100K-1M tokens, this setup is costly to serve because the memory consumption of the KV cache scales with input length. We explore an alternative: training a smaller KV cache offline on each corpus. At inference time, we load this trained KV cache, which we call a Cartridge, and decode a response. Critically, the cost of training a Cartridge can be amortized across all the queries referencing the same corpus. However, we find that the naive approach of training the Cartridge with next-token prediction on the corpus is not competitive with ICL. Instead, we propose self-study, a training recipe in which we generate synthetic conversations about the corpus and train the Cartridge with a context-distillation objective. We find that Cartridges trained with self-study replicate the functionality of ICL, while being significantly cheaper to serve. On challenging long-context benchmarks, Cartridges trained with self-study match ICL performance while using 38.6x less memory and enabling 26.4x higher throughput. Self-study also extends the model's effective context length (e.g. from 128k to 484k tokens on MTOB) and surprisingly, leads to Cartridges that can be composed at inference time without retraining.
♻ ☆ e3: Learning to Explore Enables Extrapolation of Test-Time Compute for LLMs
Test-time scaling offers a promising path to improve LLM reasoning by utilizing more compute at inference time; however, the true promise of this paradigm lies in extrapolation (i.e., improvement in performance on hard problems as LLMs keep "thinking" for longer, beyond the maximum token budget they were trained on). Surprisingly, we find that most existing reasoning models do not extrapolate well. We show that one way to enable extrapolation is by training the LLM to perform in-context exploration: training the LLM to effectively spend its test time budget by chaining operations (such as generation, verification, refinement, etc.), or testing multiple hypotheses before it commits to an answer. To enable in-context exploration, we identify three key ingredients as part of our recipe e3: (1) chaining skills that the base LLM has asymmetric competence in, e.g., chaining verification (easy) with generation (hard), as a way to implement in-context search; (2) leveraging "negative" gradients from incorrect traces to amplify exploration during RL, resulting in longer search traces that chains additional asymmetries; and (3) coupling task difficulty with training token budget during training via a specifically-designed curriculum to structure in-context exploration. Our recipe e3 produces the best known 1.7B model according to AIME'25 and HMMT'25 scores, and extrapolates to 2x the training token budget. Our e3-1.7B model not only attains high pass@1 scores, but also improves pass@k over the base model.
♻ ☆ MindFlayer SGD: Efficient Parallel SGD in the Presence of Heterogeneous and Random Worker Compute Times
We investigate the problem of minimizing the expectation of smooth nonconvex functions in a distributed setting with multiple parallel workers that are able to compute stochastic gradients. A significant challenge in this context is the presence of arbitrarily heterogeneous and stochastic compute times among workers, which can severely degrade the performance of existing parallel stochastic gradient descent (SGD) methods. While some parallel SGD algorithms achieve optimal performance under deterministic but heterogeneous delays, their effectiveness diminishes when compute times are random - a scenario not explicitly addressed in their design. To bridge this gap, we introduce MindFlayer SGD, a novel parallel SGD method specifically designed to handle stochastic and heterogeneous compute times. Through theoretical analysis and empirical evaluation, we demonstrate that MindFlayer SGD consistently outperforms existing baselines, particularly in environments with heavy-tailed noise. Our results highlight its robustness and scalability, making it a compelling choice for large-scale distributed learning tasks.
♻ ☆ Improving Large Language Models with Concept-Aware Fine-Tuning
Large language models (LLMs) have become the cornerstone of modern AI. However, the existing paradigm of next-token prediction fundamentally limits their ability to form coherent, high-level concepts, making it a critical barrier to human-like understanding and reasoning. Take the phrase "ribonucleic acid" as an example: an LLM will first decompose it into tokens, i.e., artificial text fragments ("rib", "on", ...), then learn each token sequentially, rather than grasping the phrase as a unified, coherent semantic entity. This fragmented representation hinders deeper conceptual understanding and, ultimately, the development of truly intelligent systems. In response, we introduce Concept-Aware Fine-Tuning (CAFT), a novel multi-token training method that redefines how LLMs are fine-tuned. By enabling the learning of sequences that span multiple tokens, this method fosters stronger concept-aware learning. Our experiments demonstrate significant improvements compared to conventional next-token finetuning methods across diverse tasks, including traditional applications like text summarization and domain-specific ones like de novo protein design. Multi-token prediction was previously only possible in the prohibitively expensive pretraining phase; CAFT, to our knowledge, is the first to bring the multi-token setting to the post-training phase, thus effectively democratizing its benefits for the broader community of practitioners and researchers. Finally, the unexpected effectiveness of our proposed method suggests wider implications for the machine learning research community. All code and data are available at https://github.com/michaelchen-lab/caft-llm
♻ ☆ Factual Knowledge in Language Models: Robustness and Anomalies under Simple Temporal Context Variations ACL 2025
This paper explores the robustness of language models (LMs) to variations in the temporal context within factual knowledge. It examines whether LMs can correctly associate a temporal context with a past fact valid over a defined period, by asking them to differentiate correct from incorrect contexts. The LMs' ability to distinguish is analyzed along two dimensions: the distance of the incorrect context from the validity period and the granularity of the context. To this end, a dataset called TimeStress is introduced, enabling the evaluation of 18 diverse LMs. Results reveal that the best LM achieves a perfect distinction for only 11% of the studied facts, with errors, certainly rare, but critical that humans would not make. This work highlights the limitations of current LMs in temporal representation.
comment: preprint v5, accepted for publication at ACL 2025 - L2M2 Workshop
♻ ☆ Self-interpreting Adversarial Images
We introduce a new type of indirect, cross-modal injection attacks against visual language models that enable creation of self-interpreting images. These images contain hidden "meta-instructions" that control how models answer users' questions about the image and steer models' outputs to express an adversary-chosen style, sentiment, or point of view. Self-interpreting images act as soft prompts, conditioning the model to satisfy the adversary's (meta-)objective while still producing answers based on the image's visual content. Meta-instructions are thus a stronger form of prompt injection. Adversarial images look natural and the model's answers are coherent and plausible, yet they also follow the adversary-chosen interpretation, e.g., political spin, or even objectives that are not achievable with explicit text instructions. We evaluate the efficacy of self-interpreting images for a variety of models, interpretations, and user prompts. We describe how these attacks could cause harm by enabling creation of self-interpreting content that carries spam, misinformation, or spin. Finally, we discuss defenses.
comment: in USENIX Security 2025
♻ ☆ Explainability of Large Language Models using SMILE: Statistical Model-agnostic Interpretability with Local Explanations
Large language models like GPT, LLAMA, and Claude have become incredibly powerful at generating text, but they are still black boxes, so it is hard to understand how they decide what to say. That lack of transparency can be problematic, especially in fields where trust and accountability matter. To help with this, we introduce SMILE, a new method that explains how these models respond to different parts of a prompt. SMILE is model-agnostic and works by slightly changing the input, measuring how the output changes, and then highlighting which words had the most impact. Create simple visual heat maps showing which parts of a prompt matter the most. We tested SMILE on several leading LLMs and used metrics such as accuracy, consistency, stability, and fidelity to show that it gives clear and reliable explanations. By making these models easier to understand, SMILE brings us one step closer to making AI more transparent and trustworthy.
comment: arXiv admin note: text overlap with arXiv:2412.16277
♻ ☆ Guiding Time-Varying Generative Models with Natural Gradients on Exponential Family Manifold
Optimising probabilistic models is a well-studied field in statistics. However, its connection with the training of generative models remains largely under-explored. In this paper, we show that the evolution of time-varying generative models can be projected onto an exponential family manifold, naturally creating a link between the parameters of a generative model and those of a probabilistic model. We then train the generative model by moving its projection on the manifold according to the natural gradient descent scheme. This approach also allows us to efficiently approximate the natural gradient of the KL divergence without relying on MCMC for intractable models. Furthermore, we propose particle versions of the algorithm, which feature closed-form update rules for any parametric model within the exponential family. Through toy and real-world experiments, we validate the effectiveness of the proposed algorithms. The code of the proposed algorithms can be found at https://github.com/anewgithubname/iNGD.
comment: UAI2025
♻ ☆ T1: Advancing Language Model Reasoning through Reinforcement Learning and Inference Scaling ICML 2025
Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks. However, existing approaches mainly rely on imitation learning and struggle to achieve effective test-time scaling. While reinforcement learning (RL) holds promise for enabling self-exploration, recent attempts yield modest improvements in complex reasoning. In this paper, we present T1 to scale RL by encouraging exploration and understand inference scaling. We first initialize the LLM using synthesized chain-of-thought data that integrates trial-and-error and self-verification. To scale RL training, we promote increased sampling diversity through oversampling. We demonstrate that T1 with open LLMs as its base exhibits inference scaling behavior and achieves superior performance on challenging math reasoning benchmarks. More importantly, we present a simple strategy to examine inference scaling, where increased inference budgets directly lead to T1's better performance without any additional verification.
comment: Accepted to ICML 2025
♻ ☆ Manipulating Feature Visualizations with Gradient Slingshots
Feature Visualization (FV) is a widely used technique for interpreting the concepts learned by Deep Neural Networks (DNNs), which synthesizes input patterns that maximally activate a given feature. Despite its popularity, the trustworthiness of FV explanations has received limited attention. In this paper, we introduce a novel method, Gradient Slingshots, that enables manipulation of FV without modifying the model architecture or significantly degrading its performance. By shaping new trajectories in the off-distribution regions of the activation landscape of a feature, we coerce the optimization process to converge in a predefined visualization. We evaluate our approach on several DNN architectures, demonstrating its ability to replace faithfuls FV with arbitrary targets. These results expose a critical vulnerability: auditors relying solely on FV may accept entirely fabricated explanations. To mitigate this risk, we propose a straightforward defense and quantitatively demonstrate its effectiveness.
♻ ☆ Non-intrusive Speech Quality Assessment with Diffusion Models Trained on Clean Speech
Diffusion models have found great success in generating high quality, natural samples of speech, but their potential for density estimation for speech has so far remained largely unexplored. In this work, we leverage an unconditional diffusion model trained only on clean speech for the assessment of speech quality. We show that the quality of a speech utterance can be assessed by estimating the likelihood of a corresponding sample in the terminating Gaussian distribution, obtained via a deterministic noising process. The resulting method is purely unsupervised, trained only on clean speech, and therefore does not rely on annotations. Our diffusion-based approach leverages clean speech priors to assess quality based on how the input relates to the learned distribution of clean data. Our proposed log-likelihoods show promising results, correlating well with intrusive speech quality metrics and showing the best correlation with human scores in a listening experiment.
comment: Accepted at Interspeech 2025
♻ ☆ AB-UPT: Scaling Neural CFD Surrogates for High-Fidelity Automotive Aerodynamics Simulations via Anchored-Branched Universal Physics Transformers
Recent advances in neural surrogate modeling offer the potential for transformative innovations in applications such as automotive aerodynamics. Yet, industrial-scale problems often involve volumetric meshes with cell counts reaching the 100 millions, presenting major scalability challenges. Complex geometries further complicate modeling through intricate surface-volume interactions, while quantities such as vorticity are highly nonlinear and must satisfy strict divergence-free constraints. To address these requirements, we introduce AB-UPT as a novel modeling scheme for building neural surrogates for CFD simulations. AB-UPT is designed to: (i) decouple geometry encoding and prediction tasks via multi-branch operators; (ii) enable scalability to high-resolution outputs via neural simulation in a low-dimensional latent space, coupled with anchored neural field decoders to predict high-fidelity outputs; (iii) enforce physics consistency by a novel divergence-free formulation. We show that AB-UPT yields state-of-the-art predictive accuracy of surface and volume fields on automotive CFD simulations ranging from 33 thousand up to 150 million mesh cells. Furthermore, our anchored neural field architecture enables the enforcement of hard physical constraints on the physics predictions without degradation in performance, exemplified by modeling divergence-free vorticity fields. Notably, the proposed models can be trained on a single GPU in less than a day and predict industry-standard surface and volume fields within seconds. Additionally, we show that the flexible design of our method enables neural simulation from a CAD geometry alone, omitting the need for costly CFD meshing procedures.
comment: Preprint
♻ ☆ Graph-Based Floor Separation Using Node Embeddings and Clustering of WiFi Trajectories
Indoor positioning systems (IPSs) are increasingly vital for location-based services in complex multi-storey environments. This study proposes a novel graph-based approach for floor separation using Wi-Fi fingerprint trajectories, addressing the challenge of vertical localization in indoor settings. We construct a graph where nodes represent Wi-Fi fingerprints, and edges are weighted by signal similarity and contextual transitions. Node2Vec is employed to generate low-dimensional embeddings, which are subsequently clustered using K-means to identify distinct floors. Evaluated on the Huawei University Challenge 2021 dataset, our method outperforms traditional community detection algorithms, achieving an accuracy of 68.97\%, an F1-score of 61.99\%, and an Adjusted Rand Index of 57.19\%. By publicly releasing the preprocessed dataset and implementation code, this work contributes to advancing research in indoor positioning. The proposed approach demonstrates robustness to signal noise and architectural complexities, offering a scalable solution for floor-level localization.
♻ ☆ DeePoly: A High-Order Accuracy Scientific Machine Learning Framework for Function Approximation and Solving PDEs
Recently, machine learning methods have gained significant traction in scientific computing, particularly for solving Partial Differential Equations (PDEs). However, methods based on deep neural networks (DNNs) often lack convergence guarantees and computational efficiency compared to traditional numerical schemes. This work introduces DeePoly, a novel framework that transforms the solution paradigm from pure non-convex parameter optimization to a two-stage approach: first employing a DNN to capture complex global features, followed by linear space optimization with combined DNN-extracted features (Spotter) and polynomial basis functions (Sniper). This strategic combination leverages the complementary strengths of both methods -- DNNs excel at approximating complex global features (i.e., high-gradient features) and stabilize the polynomial approximation while polynomial bases provide high-precision local corrections with convergence guarantees. Theoretical analysis and numerical experiments demonstrate that this approach significantly enhances both high-order accuracy and efficiency across diverse problem types while maintaining mesh-free and scheme-free properties. This paper also serves as a theoretical exposition for the open-source project DeePoly.
comment: for associated mpeg file, see http://github.com/bfly123/DeePoly
♻ ☆ Combining Deep Reinforcement Learning and Search with Generative Models for Game-Theoretic Opponent Modeling IJCAI'25
Opponent modeling methods typically involve two crucial steps: building a belief distribution over opponents' strategies, and exploiting this opponent model by playing a best response. However, existing approaches typically require domain-specific heurstics to come up with such a model, and algorithms for approximating best responses are hard to scale in large, imperfect information domains. In this work, we introduce a scalable and generic multiagent training regime for opponent modeling using deep game-theoretic reinforcement learning. We first propose Generative Best Respoonse (GenBR), a best response algorithm based on Monte-Carlo Tree Search (MCTS) with a learned deep generative model that samples world states during planning. This new method scales to large imperfect information domains and can be plug and play in a variety of multiagent algorithms. We use this new method under the framework of Policy Space Response Oracles (PSRO), to automate the generation of an \emph{offline opponent model} via iterative game-theoretic reasoning and population-based training. We propose using solution concepts based on bargaining theory to build up an opponent mixture, which we find identifying profiles that are near the Pareto frontier. Then GenBR keeps updating an \emph{online opponent model} and reacts against it during gameplay. We conduct behavioral studies where human participants negotiate with our agents in Deal-or-No-Deal, a class of bilateral bargaining games. Search with generative modeling finds stronger policies during both training time and test time, enables online Bayesian co-player prediction, and can produce agents that achieve comparable social welfare and Nash bargaining score negotiating with humans as humans trading among themselves.
comment: Accepted by IJCAI'25 main track
♻ ☆ Black-Box Adversarial Attacks on LLM-Based Code Completion
Modern code completion engines, powered by large language models (LLMs), assist millions of developers with their strong capabilities to generate functionally correct code. Due to this popularity, it is crucial to investigate the security implications of relying on LLM-based code completion. In this work, we demonstrate that state-of-the-art black-box LLM-based code completion engines can be stealthily biased by adversaries to significantly increase their rate of insecure code generation. We present the first attack, named INSEC, that achieves this goal. INSEC works by injecting an attack string as a short comment in the completion input. The attack string is crafted through a query-based optimization procedure starting from a set of carefully designed initialization schemes. We demonstrate INSEC's broad applicability and effectiveness by evaluating it on various state-of-the-art open-source models and black-box commercial services (e.g., OpenAI API and GitHub Copilot). On a diverse set of security-critical test cases, covering 16 CWEs across 5 programming languages, INSEC increases the rate of generated insecure code by more than 50%, while maintaining the functional correctness of generated code. We consider INSEC practical -- it requires low resources and costs less than 10 US dollars to develop on commodity hardware. Moreover, we showcase the attack's real-world deployability, by developing an IDE plug-in that stealthily injects INSEC into the GitHub Copilot extension.
♻ ☆ Expressivity of Quadratic Neural ODEs
This work focuses on deriving quantitative approximation error bounds for neural ordinary differential equations having at most quadratic nonlinearities in the dynamics. The simple dynamics of this model form demonstrates how expressivity can be derived primarily from iteratively composing many basic elementary operations, versus from the complexity of those elementary operations themselves. Like the analog differential analyzer and universal polynomial DAEs, the expressivity is derived instead primarily from the "depth" of the model. These results contribute to our understanding of what depth specifically imparts to the capabilities of deep learning architectures.
comment: 9 pages, 1 figure
♻ ☆ Banded Square Root Matrix Factorization for Differentially Private Model Training
Current state-of-the-art methods for differentially private model training are based on matrix factorization techniques. However, these methods suffer from high computational overhead because they require numerically solving a demanding optimization problem to determine an approximately optimal factorization prior to the actual model training. In this work, we present a new matrix factorization approach, BSR, which overcomes this computational bottleneck. By exploiting properties of the standard matrix square root, BSR allows to efficiently handle also large-scale problems. For the key scenario of stochastic gradient descent with momentum and weight decay, we even derive analytical expressions for BSR that render the computational overhead negligible. We prove bounds on the approximation quality that hold both in the centralized and in the federated learning setting. Our numerical experiments demonstrate that models trained using BSR perform on par with the best existing methods, while completely avoiding their computational overhead.
comment: Fixed typos in Lemma 8 and Theorem 8. Added a GitHub link to the implementation
♻ ☆ Training RL Agents for Multi-Objective Network Defense Tasks
Open-ended learning (OEL) -- which emphasizes training agents that achieve broad capability over narrow competency -- is emerging as a paradigm to develop artificial intelligence (AI) agents to achieve robustness and generalization. However, despite promising results that demonstrate the benefits of OEL, applying OEL to develop autonomous agents for real-world cybersecurity applications remains a challenge. We propose a training approach, inspired by OEL, to develop autonomous network defenders. Our results demonstrate that like in other domains, OEL principles can translate into more robust and generalizable agents for cyber defense. To apply OEL to network defense, it is necessary to address several technical challenges. Most importantly, it is critical to provide a task representation approach over a broad universe of tasks that maintains a consistent interface over goals, rewards and action spaces. This way, the learning agent can train with varying network conditions, attacker behaviors, and defender goals while being able to build on previously gained knowledge. With our tools and results, we aim to fundamentally impact research that applies AI to solve cybersecurity problems. Specifically, as researchers develop gyms and benchmarks for cyber defense, it is paramount that they consider diverse tasks with consistent representations, such as those we propose in our work.
♻ ☆ MoESD: Unveil Speculative Decoding's Potential for Accelerating Sparse MoE
Large Language Models (LLMs) have achieved remarkable success across many applications, with Mixture of Experts (MoE) models demonstrating great potential. Compared to traditional dense models, MoEs achieve better performance with less computation. Speculative decoding (SD) is a widely used technique to accelerate LLM inference without accuracy loss, but it has been considered efficient only for dense models. In this work, we first demonstrate that, under medium batch sizes, MoE surprisingly benefits more from SD than dense models. Furthermore, as MoE becomes sparser -- the prevailing trend in MoE designs -- the batch size range where SD acceleration is expected to be effective becomes broader. To quantitatively understand tradeoffs involved in SD, we develop a reliable modeling based on theoretical analyses. While current SD research primarily focuses on improving acceptance rates of algorithms, changes in workload and model architecture can still lead to degraded SD acceleration even with high acceptance rates. To address this limitation, we introduce a new metric 'target efficiency' that characterizes these effects, thus helping researchers identify system bottlenecks and understand SD acceleration more comprehensively. For scenarios like private serving, this work unveils a new perspective to speed up MoE inference, where existing solutions struggle. Experiments on different GPUs show up to 2.29x speedup for Qwen2-57B-A14B at medium batch sizes and validate our theoretical predictions.
♻ ☆ Agent Semantics, Semantic Spacetime, and Graphical Reasoning
Some formal aspects of the Semantic Spacetime graph model are presented, with reference to its use for directed knowledge representations and process modelling. A finite $\gamma(3,4)$ representation is defined to form a closed set of operations that can scale to any degree of semantic complexity. The Semantic Spacetime postulates bring predictability with minimal constraints to pathways in graphs. The ubiquitous appearance of absorbing states in any partial graph means that a graph process leaks information. The issue is closely associated with the issue of division by zero, which signals a loss of closure and the need for manual injection of remedial information. The Semantic Spacetime model (and its Promise Theory) origins help to clarify how such absorbing states are associated with boundary information where intentionality can enter.
comment: Some typos corrected
♻ ☆ Revisiting Stochastic Approximation and Stochastic Gradient Descent
In this paper, we introduce a new approach to proving the convergence of the Stochastic Approximation (SA) and the Stochastic Gradient Descent (SGD) algorithms. The new approach is based on a concept called GSLLN (Generalized Strong Law of Large Numbers), which extends the traditional SLLN. Using this concept, we provide sufficient conditions for convergence, which effectively decouple the properties of the function whose zero we are trying to find, from the properties of the measurement errors (noise sequence). The new approach provides an alternative to the two widely used approaches, namely the ODE approach and the martingale approach, and also permits a wider class of noise signals than either of the two known approaches. In particular, the ``noise'' or measurement error \textit{need not} have a finite second moment, and under suitable conditions, not even a finite mean. By adapting this method of proof, we also derive sufficient conditions for the convergence of zero-order SGD, wherein the stochastic gradient is computed using $2d$ function evaluations, but no gradient computations. The sufficient conditions derived here are the weakest to date, thus leading to a considerable expansion of the applicability of SA and SGD theory.
comment: 30 pages
♻ ☆ A Few Large Shifts: Layer-Inconsistency Based Minimal Overhead Adversarial Example Detection
Deep neural networks (DNNs) are highly susceptible to adversarial examples--subtle, imperceptible perturbations that can lead to incorrect predictions. While detection-based defenses offer a practical alternative to adversarial training, many existing methods depend on external models, complex architectures, heavy augmentations, or adversarial data, limiting their efficiency and generalizability. We introduce a lightweight, plug-in detection framework that leverages internal layer-wise inconsistencies within the target model itself, requiring only benign data for calibration. Our approach is grounded in the A Few Large Shifts Assumption, which posits that adversarial perturbations typically induce large representation shifts in a small subset of layers. Building on this, we propose two complementary strategies--Recovery Testing (RT) and Logit-layer Testing (LT)--to expose internal disruptions caused by adversaries. Evaluated on CIFAR-10, CIFAR-100, and ImageNet under both standard and adaptive threat models, our method achieves state-of-the-art detection performance with negligible computational overhead and no compromise to clean accuracy. The code is available here: https://github.com/c0510gy/AFLS-AED.
♻ ☆ V-Max: A Reinforcement Learning Framework for Autonomous Driving
Learning-based decision-making has the potential to enable generalizable Autonomous Driving (AD) policies, reducing the engineering overhead of rule-based approaches. Imitation Learning (IL) remains the dominant paradigm, benefiting from large-scale human demonstration datasets, but it suffers from inherent limitations such as distribution shift and imitation gaps. Reinforcement Learning (RL) presents a promising alternative, yet its adoption in AD remains limited due to the lack of standardized and efficient research frameworks. To this end, we introduce V-Max, an open research framework providing all the necessary tools to make RL practical for AD. V-Max is built on Waymax, a hardware-accelerated AD simulator designed for large-scale experimentation. We extend it using ScenarioNet's approach, enabling the fast simulation of diverse AD datasets.
comment: Accepted to RLC 25
♻ ☆ Mixup Regularization: A Probabilistic Perspective
In recent years, mixup regularization has gained popularity as an effective way to improve the generalization performance of deep learning models by training on convex combinations of training data. While many mixup variants have been explored, the proper adoption of the technique to conditional density estimation and probabilistic machine learning remains relatively unexplored. This work introduces a novel framework for mixup regularization based on probabilistic fusion that is better suited for conditional density estimation tasks. For data distributed according to a member of the exponential family, we show that likelihood functions can be analytically fused using log-linear pooling. We further propose an extension of probabilistic mixup, which allows for fusion of inputs at an arbitrary intermediate layer of the neural network. We provide a theoretical analysis comparing our approach to standard mixup variants. Empirical results on synthetic and real datasets demonstrate the benefits of our proposed framework compared to existing mixup variants.
comment: Accepted at UAI 2025, 28 figures, 9 tables
♻ ☆ Word Sense Detection Leveraging Maximum Mean Discrepancy
Word sense analysis is an essential analysis work for interpreting the linguistic and social backgrounds. The word sense change detection is a task of identifying and interpreting shifts in word meanings over time. This paper proposes MMD-Sense-Analysis, a novel approach that leverages Maximum Mean Discrepancy (MMD) to select semantically meaningful variables and quantify changes across time periods. This method enables both the identification of words undergoing sense shifts and the explanation of their evolution over multiple historical periods. To my knowledge, this is the first application of MMD to word sense change detection. Empirical assessment results demonstrate the effectiveness of the proposed approach.
♻ ☆ Scalable unsupervised feature selection via weight stability
Unsupervised feature selection is critical for improving clustering performance in high-dimensional data, where irrelevant features can obscure meaningful structure. In this work, we introduce the Minkowski weighted $k$-means++, a novel initialisation strategy for the Minkowski Weighted $k$-means. Our initialisation selects centroids probabilistically using feature relevance estimates derived from the data itself. Building on this, we propose two new feature selection algorithms, FS-MWK++, which aggregates feature weights across a range of Minkowski exponents to identify stable and informative features, and SFS-MWK++, a scalable variant based on subsampling. We support our approach with a theoretical guarantee under mild assumptions and extensive experiments showing that our methods consistently outperform existing alternatives. Our software can be found at https://github.com/xzhang4-ops1/FSMWK.
♻ ☆ Spatiotemporal Field Generation Based on Hybrid Mamba-Transformer with Physics-informed Fine-tuning
This research confronts the challenge of substantial physical equation discrepancies encountered in the generation of spatiotemporal physical fields through data-driven trained models. A spatiotemporal physical field generation model, named HMT-PF, is developed based on the hybrid Mamba-Transformer architecture, incorporating unstructured grid information as input. A fine-tuning block, enhanced with physical information, is introduced to effectively reduce the physical equation discrepancies. The physical equation residuals are computed through a point query mechanism for efficient gradient evaluation, then encoded into latent space for refinement. The fine-tuning process employs a self-supervised learning approach to achieve physical consistency while maintaining essential field characteristics. Results show that the hybrid Mamba-Transformer model achieves good performance in generating spatiotemporal fields, while the physics-informed fine-tuning mechanism further reduces significant physical errors effectively. A MSE-R evaluation method is developed to assess the accuracy and realism of physical field generation.
♻ ☆ Variational Neural Stochastic Differential Equations with Change Points
In this work, we explore modeling change points in time-series data using neural stochastic differential equations (neural SDEs). We propose a novel model formulation and training procedure based on the variational autoencoder (VAE) framework for modeling time-series as a neural SDE. Unlike existing algorithms training neural SDEs as VAEs, our proposed algorithm only necessitates a Gaussian prior of the initial state of the latent stochastic process, rather than a Wiener process prior on the entire latent stochastic process. We develop two methodologies for modeling and estimating change points in time-series data with distribution shifts. Our iterative algorithm alternates between updating neural SDE parameters and updating the change points based on either a maximum likelihood-based approach or a change point detection algorithm using the sequential likelihood ratio test. We provide a theoretical analysis of this proposed change point detection scheme. Finally, we present an empirical evaluation that demonstrates the expressive power of our proposed model, showing that it can effectively model both classical parametric SDEs and some real datasets with distribution shifts.
♻ ☆ PIPO: Pipelined Offloading for Efficient Inference on Consumer Devices
The high memory and computation demand of large language models (LLMs) makes them challenging to be deployed on consumer devices due to limited GPU memory. Offloading can mitigate the memory constraint but often suffers from low GPU utilization, leading to low inference efficiency. In this work, we propose a novel framework, called pipelined offloading (PIPO), for efficient inference on consumer devices. PIPO designs a fine-grained offloading pipeline, complemented with optimized data transfer and computation, to achieve high concurrency and efficient scheduling for inference. Experimental results show that compared with state-of-the-art baseline, PIPO increases GPU utilization from below 40% to over 90% and achieves up to 3.1$\times$ higher throughput, running on a laptop equipped with a RTX3060 GPU of 6GB memory.
♻ ☆ Understanding the Emergence of Multimodal Representation Alignment ICML 2025
Multimodal representation learning is fundamentally about transforming incomparable modalities into comparable representations. While prior research primarily focused on explicitly aligning these representations through targeted learning objectives and model architectures, a recent line of work has found that independently trained unimodal models of increasing scale and performance can become implicitly aligned with each other. These findings raise fundamental questions regarding the emergence of aligned representations in multimodal learning. Specifically: (1) when and why does alignment emerge implicitly? and (2) is alignment a reliable indicator of performance? Through a comprehensive empirical investigation, we demonstrate that both the emergence of alignment and its relationship with task performance depend on several critical data characteristics. These include, but are not necessarily limited to, the degree of similarity between the modalities and the balance between redundant and unique information they provide for the task. Our findings suggest that alignment may not be universally beneficial; rather, its impact on performance varies depending on the dataset and task. These insights can help practitioners determine whether increasing alignment between modalities is advantageous or, in some cases, detrimental to achieving optimal performance. Code is released at https://github.com/MeganTj/multimodal_alignment.
comment: To appear as a poster in ICML 2025. 21 pages, 22 figures, 3 tables
♻ ☆ Approximating Fixpoints of Approximated Functions
Fixpoints are ubiquitous in computer science and when dealing with quantitative semantics and verification one often considers least fixpoints of (higher-dimensional) functions over the non-negative reals. We show how to approximate the least fixpoint of such functions, focusing on the case in which they are not known precisely, but represented by a sequence of approximating functions that converge to them. We concentrate on monotone and non-expansive functions, for which uniqueness of fixpoints is not guaranteed and standard fixpoint iteration schemes might get stuck at a fixpoint that is not the least. Our main contribution is the identification of an iteration scheme, a variation of Mann iteration with a dampening factor, which, under suitable conditions, is shown to guarantee convergence to the least fixpoint of the function of interest. We then argue that these results are relevant in the context of model-based reinforcement learning for Markov decision processes, showing how the proposed iteration scheme instantiates and allows us to derive convergence to the optimal expected return. More generally, we show that our results can be used to iterate to the least fixpoint almost surely for systems where the function of interest can be approximated with given probabilistic error bounds, as it happens for probabilistic systems, such as simple stochastic games, which can be explored via sampling.
♻ ☆ Neural Network Reprogrammability: A Unified Theme on Model Reprogramming, Prompt Tuning, and Prompt Instruction
As large-scale pre-trained foundation models continue to expand in size and capability, efficiently adapting them to specific downstream tasks has become increasingly critical. Despite substantial progress, existing adaptation approaches have evolved largely in isolation, without a clear understanding of their interrelationships. This survey introduces neural network reprogrammability as a unifying framework that bridges mainstream model adaptation techniques--model reprogramming, prompt tuning, and prompt instruction--previously fragmented research areas yet converges on a shared principle: repurposing a pre-trained model by manipulating information at the interfaces while keeping the model parameters frozen. These methods exploit neural networks' sensitivity to manipulation on different interfaces, be it through perturbing inputs, inserting tokens into intermediate layers, or providing task-specific examples in context, to redirect model behaviors towards desired outcomes. We then present a taxonomy that categorizes such information manipulation-based adaptation approaches across four key dimensions: manipulation format (fixed or learnable), location (interfaces where manipulations occur), operator (how they are applied), and output alignment requirement (post-processing needed to align outputs with downstream tasks). Notably, this framework applies consistently across data modalities, independent of specific model architectures. Moreover, viewing established techniques like in-context learning and chain-of-thought prompting through this lens reveals both their theoretical connections and practical distinctions. We further analyze remaining technical challenges and ethical considerations, positioning neural network reprogrammability as a fundamental paradigm for efficient model adaptation. We lastly identify promising research directions emerging from this integrative viewpoint.
♻ ☆ Evidential Spectrum-Aware Contrastive Learning for OOD Detection in Dynamic Graphs KDD 2025
Recently, Out-of-distribution (OOD) detection in dynamic graphs, which aims to identify whether incoming data deviates from the distribution of the in-distribution (ID) training set, has garnered considerable attention in security-sensitive fields. Current OOD detection paradigms primarily focus on static graphs and confront two critical challenges: i) high bias and high variance caused by single-point estimation, which makes the predictions sensitive to randomness in the data; ii) score homogenization resulting from the lack of OOD training data, where the model only learns ID-specific patterns, resulting in overall low OOD scores and a narrow score gap between ID and OOD data. To tackle these issues, we first investigate OOD detection in dynamic graphs through the lens of Evidential Deep Learning (EDL). Specifically, we propose EviSEC, an innovative and effective OOD detector via Evidential Spectrum-awarE Contrastive Learning. We design an evidential neural network to redefine the output as the posterior Dirichlet distribution, explaining the randomness of inputs through the uncertainty of distribution, which is overlooked by single-point estimation. Moreover, spectrum-aware augmentation module generates OOD approximations to identify patterns with high OOD scores, thereby widening the score gap between ID and OOD data and mitigating score homogenization. Extensive experiments on real-world datasets demonstrate that EviSAC effectively detects OOD samples in dynamic graphs.
comment: Accepted by ECML-PKDD 2025
♻ ☆ Right on Time: Revising Time Series Models by Constraining their Explanations KDD 2025
Deep time series models often suffer from reliability issues due to their tendency to rely on spurious correlations, leading to incorrect predictions. To mitigate such shortcuts and prevent "Clever-Hans" moments in time series models, we introduce Right on Time (RioT), a novel method that enables interacting with model explanations across both the time and frequency domains. By incorporating feedback on explanations in both domains, RioT constrains the model, steering it away from annotated spurious correlations. This dual-domain interaction strategy is crucial for effectively addressing shortcuts in time series datasets. We empirically demonstrate the effectiveness of RioT in guiding models toward more reliable decision-making across popular time series classification and forecasting datasets, as well as our newly recorded dataset with naturally occuring shortcuts, P2S, collected from a real mechanical production line.
comment: to be published in ECML PKDD 2025
♻ ☆ A Survey on Deep Learning based Time Series Analysis with Frequency Transformation KDD 2025
Recently, frequency transformation (FT) has been increasingly incorporated into deep learning models to significantly enhance state-of-the-art accuracy and efficiency in time series analysis. The advantages of FT, such as high efficiency and a global view, have been rapidly explored and exploited in various time series tasks and applications, demonstrating the promising potential of FT as a new deep learning paradigm for time series analysis. Despite the growing attention and the proliferation of research in this emerging field, there is currently a lack of a systematic review and in-depth analysis of deep learning-based time series models with FT. It is also unclear why FT can enhance time series analysis and what its limitations are in the field. To address these gaps, we present a comprehensive review that systematically investigates and summarizes the recent research advancements in deep learning-based time series analysis with FT. Specifically, we explore the primary approaches used in current models that incorporate FT, the types of neural networks that leverage FT, and the representative FT-equipped models in deep time series analysis. We propose a novel taxonomy to categorize the existing methods in this field, providing a structured overview of the diverse approaches employed in incorporating FT into deep learning models for time series analysis. Finally, we highlight the advantages and limitations of FT for time series modeling and identify potential future research directions that can further contribute to the community of time series analysis.
comment: Accepted By KDD 2025
♻ ☆ Modelling Mosquito Population Dynamics using PINN-derived Empirical Parameters
Vector-borne diseases continue to pose a significant health threat globally with more than 3 billion people at risk each year. Despite some limitations, mechanistic dynamic models are a popular approach to representing biological processes using ordinary differential equations where the parameters describe the different development and survival rates. Recent advances in population modelling have seen the combination of these mechanistic models with machine learning. One approach is physics-informed neural networks (PINNs) whereby the machine learning framework embeds physical, biological, or chemical laws into neural networks trained on observed or measured data. This enables forward simulations, predicting system behaviour from given parameters and inputs, and inverse modelling, improving parameterisation of existing parameters and estimating unknown or latent variables. In this paper, we focus on improving the parameterisation of biological processes in mechanistic models using PINNs to determine inverse parameters. In comparing mechanistic and PINN models, our experiments offer important insights into the strengths and weaknesses of both approaches but demonstrated that the PINN approach generally outperforms the dynamic model. For a deeper understanding of the performance of PINN models, a final validation was used to investigate how modifications to PINN architectures affect the performance of the framework. By varying only a single component at a time and keeping all other factors constant, we are able to observe the effect of each change.
♻ ☆ Entropy Controllable Direct Preference Optimization ICML 2025
In the post-training of large language models (LLMs), Reinforcement Learning from Human Feedback (RLHF) is an effective approach to achieve generation aligned with human preferences. Direct Preference Optimization (DPO) allows for policy training with a simple binary cross-entropy loss without a reward model. The objective of DPO is regularized by reverse KL divergence that encourages mode-seeking fitting to the reference policy. Nonetheless, we indicate that minimizing reverse KL divergence could fail to capture a mode of the reference distribution, which may hurt the policy's performance. Based on this observation, we propose a simple modification to DPO, H-DPO, which allows for control over the entropy of the resulting policy, enhancing the distribution's sharpness and thereby enabling mode-seeking fitting more effectively. In our experiments, we show that H-DPO outperformed DPO across various tasks, demonstrating superior results in pass@$k$ evaluations for mathematical tasks. Moreover, H-DPO is simple to implement, requiring only minor modifications to the loss calculation of DPO, which makes it highly practical and promising for wide-ranging applications in the training of LLMs.
comment: ICML 2025 Workshop on Models of Human Feedback for AI Alignment
♻ ☆ Stationary distribution of node2vec random walks on household models
The node2vec random walk has proven to be a key tool in network embedding algorithms. These random walks are tuneable, and their transition probabilities depend on the previous visited node and on the triangles containing the current and the previously visited node. Even though these walks are widely used in practice, most mathematical properties of node2vec walks are largely unexplored, including their stationary distribution. We study the node2vec random walk on community-structured household model graphs. We prove an explicit description of the stationary distribution of node2vec walks in terms of the walk parameters. We then show that by tuning the walk parameters, the stationary distribution can interpolate between uniform, size-biased, or the simple random walk stationary distributions, demonstrating the wide range of possible walks. We further explore these effects on some specific graph settings.
comment: 23 pages, 8 figures
♻ ☆ Persistent Topological Features in Large Language Models ICML 2025
Understanding the decision-making processes of large language models is critical given their widespread applications. To achieve this, we aim to connect a formal mathematical framework - zigzag persistence from topological data analysis - with practical and easily applicable algorithms. Zigzag persistence is particularly effective for characterizing data as it dynamically transforms across model layers. Within this framework, we introduce topological descriptors that measure how topological features, $p$-dimensional holes, persist and evolve throughout the layers. Unlike methods that assess each layer individually and then aggregate the results, our approach directly tracks the full evolutionary path of these features. This offers a statistical perspective on how prompts are rearranged and their relative positions changed in the representation space, providing insights into the system's operation as an integrated whole. To demonstrate the expressivity and applicability of our framework, we highlight how sensitive these descriptors are to different models and a variety of datasets. As a showcase application to a downstream task, we use zigzag persistence to establish a criterion for layer pruning, achieving results comparable to state-of-the-art methods while preserving the system-level perspective.
comment: 10+17 pages, 17 figures, 3 tables. Accepted as poster at ICML 2025
♻ ☆ Approximating the total variation distance between spin systems
Spin systems form an important class of undirected graphical models. For two Gibbs distributions $\mu$ and $\nu$ induced by two spin systems on the same graph $G = (V, E)$, we study the problem of approximating the total variation distance $d_{TV}(\mu,\nu)$ with an $\epsilon$-relative error. We propose a new reduction that connects the problem of approximating the TV-distance to sampling and approximate counting. Our applications include the hardcore model and the antiferromagnetic Ising model in the uniqueness regime, the ferromagnetic Ising model, and the general Ising model satisfying the spectral condition. Additionally, we explore the computational complexity of approximating the total variation distance $d_{TV}(\mu_S,\nu_S)$ between two marginal distributions on an arbitrary subset $S \subseteq V$. We prove that this problem remains hard even when both $\mu$ and $\nu$ admit polynomial-time sampling and approximate counting algorithms.
comment: Accepted by COLT 2025; fix typos; minor edit
♻ ☆ Large Language Model Inference Acceleration: A Comprehensive Hardware Perspective
Large Language Models (LLMs) have demonstrated remarkable capabilities across various fields, from natural language understanding to text generation. Compared to non-generative LLMs like BERT and DeBERTa, generative LLMs like GPT series and Llama series are currently the main focus due to their superior algorithmic performance. The advancements in generative LLMs are closely intertwined with the development of hardware capabilities. Various hardware platforms exhibit distinct hardware characteristics, which can help improve LLM inference performance. Therefore, this paper comprehensively surveys efficient generative LLM inference on different hardware platforms. First, we provide an overview of the algorithm architecture of mainstream generative LLMs and delve into the inference process. Then, we summarize different optimization methods for different platforms such as CPU, GPU, FPGA, ASIC, and PIM/NDP, and provide inference results for generative LLMs. Furthermore, we perform a qualitative and quantitative comparison of inference performance with batch sizes 1 and 8 on different hardware platforms by considering hardware power consumption, absolute inference speed (tokens/s), and energy efficiency (tokens/J). We compare the performance of the same optimization methods across different hardware platforms, the performance across different hardware platforms, and the performance of different methods on the same hardware platform. This provides a systematic and comprehensive summary of existing inference acceleration work by integrating software optimization methods and hardware platforms. We point out that three trends (multimodality, inference-time compute, and higher inference energy efficiency) are promising to redefine the capabilities of edge artificial intelligence systems. Our project is available at https://dai.sjtu.edu.cn/project.html.
comment: Collect and update results in recent half year. 54 pages. Github link: https://github.com/Kimho666/LLM_Hardware_Survey
♻ ☆ Kernel Logistic Regression Learning for High-Capacity Hopfield Networks
Hebbian learning limits Hopfield network storage capacity (pattern-to-neuron ratio around 0.14). We propose Kernel Logistic Regression (KLR) learning. Unlike linear methods, KLR uses kernels to implicitly map patterns to high-dimensional feature space, enhancing separability. By learning dual variables, KLR dramatically improves storage capacity, achieving perfect recall even when pattern numbers exceed neuron numbers (up to ratio 1.5 shown), and enhances noise robustness. KLR demonstrably outperforms Hebbian and linear logistic regression approaches.
comment: Accepted by IEICE Transactions on Information and Systems
♻ ☆ Proxy-informed Bayesian transfer learning with unknown sources
Generalization outside the scope of one's training data requires leveraging prior knowledge about the effects that transfer, and the effects that don't, between different data sources. Transfer learning is a framework for specifying and refining this knowledge about sets of source (training) and target (prediction) data. A challenging open problem is addressing the empirical phenomenon of negative transfer, whereby the transfer learner performs worse on the target data after taking the source data into account than before. We first introduce a Bayesian perspective on negative transfer, and then a method to address it. The key insight from our formulation is that negative transfer can stem from misspecified prior information about non-transferable causes of the source data. Our proposed method, proxy-informed robust method for probabilistic transfer learning (PROMPT), does not require prior knowledge of the source data (the data sources may be "unknown"). PROMPT is thus applicable when differences between tasks are unobserved, such as in the presence of latent confounders. Moreover, the learner need not have access to observations in the target task (may not have the ability to "fine-tune"), and instead makes use of proxy (indirect) information. Our theoretical results show that the threat of negative transfer does not depend on the informativeness of the proxy information, highlighting the usefulness of PROMPT in cases where only noisy indirect information, such as human feedback, is available.
comment: Accepted for UAI 2025
♻ ☆ Foundation Models for Anomaly Detection: Vision and Challenges
As data continues to grow in volume and complexity across domains such as finance, manufacturing, and healthcare, effective anomaly detection is essential for identifying irregular patterns that may signal critical issues. Recently, foundation models (FMs) have emerged as a powerful tool for advancing anomaly detection. They have demonstrated unprecedented capabilities in enhancing anomaly identification, generating detailed data descriptions, and providing visual explanations. This survey presents the first comprehensive review of recent advancements in FM-based anomaly detection. We propose a novel taxonomy that classifies FMs into three categories based on their roles in anomaly detection tasks, i.e., as encoders, detectors, or interpreters. We provide a systematic analysis of state-of-the-art methods and discuss key challenges in leveraging FMs for improved anomaly detection. We also outline future research directions in this rapidly evolving field.
comment: 11 pages, 4 figures
♻ ☆ Convergence Analysis of Natural Gradient Descent for Over-parameterized Physics-Informed Neural Networks
In the context of over-parameterization, there is a line of work demonstrating that randomly initialized (stochastic) gradient descent (GD) converges to a globally optimal solution at a linear convergence rate for the quadratic loss function. However, the learning rate of GD for training two-layer neural networks exhibits poor dependence on the sample size and the Gram matrix, leading to a slow training process. In this paper, we show that for training two-layer $\text{ReLU}^3$ Physics-Informed Neural Networks (PINNs), the learning rate can be improved from $\mathcal{O}(\lambda_0)$ to $\mathcal{O}(1/\|\bm{H}^{\infty}\|_2)$, implying that GD actually enjoys a faster convergence rate. Despite such improvements, the convergence rate is still tied to the least eigenvalue of the Gram matrix, leading to slow convergence. We then develop the positive definiteness of Gram matrices with general smooth activation functions and provide the convergence analysis of natural gradient descent (NGD) in training two-layer PINNs, demonstrating that the learning rate can be $\mathcal{O}(1)$ and at this rate, the convergence rate is independent of the Gram matrix. In particular, for smooth activation functions, the convergence rate of NGD is quadratic. Numerical experiments are conducted to verify our theoretical results.
♻ ☆ Intra-Trajectory Consistency for Reward Modeling
Reward models are critical for improving large language models (LLMs), particularly in reinforcement learning from human feedback (RLHF) or inference-time verification. Current reward modeling typically relies on scores of overall responses to learn the outcome rewards for the responses. However, since the response-level scores are coarse-grained supervision signals, the reward model struggles to identify the specific components within a response trajectory that truly correlate with the scores, leading to poor generalization on unseen responses. In this paper, we propose to leverage generation probabilities to establish reward consistency between processes in the response trajectory, which allows the response-level supervisory signal to propagate across processes, thereby providing additional fine-grained signals for reward learning. Building on analysis under the Bayesian framework, we develop an intra-trajectory consistency regularization to enforce that adjacent processes with higher next-token generation probability maintain more consistent rewards. We apply the proposed regularization to the advanced outcome reward model, improving its performance on RewardBench. Besides, we show that the reward model trained with the proposed regularization induces better DPO-aligned policies and achieves better best-of-N (BON) inference-time verification results. Our code is provided in https://github.com/chaoyang101/ICRM.
comment: Under review
♻ ☆ Data-Driven Soil Organic Carbon Sampling: Integrating Spectral Clustering with Conditioned Latin Hypercube Optimization
Soil organic carbon (SOC) monitoring often relies on selecting representative field sampling locations based on environmental covariates. We propose a novel hybrid methodology that integrates spectral clustering - an unsupervised machine learning technique with conditioned Latin hypercube sampling (cLHS) to enhance the representativeness of SOC sampling. In our approach, spectral clustering partitions the study area into $K$ homogeneous zones using multivariate covariate data, and cLHS is then applied within each zone to select sampling locations that collectively capture the full diversity of environmental conditions. This hybrid spectral-cLHS method ensures that even minor but important environmental clusters are sampled, addressing a key limitation of vanilla cLHS which can overlook such areas. We demonstrate on a real SOC mapping dataset that spectral-cLHS provides more uniform coverage of covariate feature space and spatial heterogeneity than standard cLHS. This improved sampling design has the potential to yield more accurate SOC predictions by providing better-balanced training data for machine learning models.
♻ ☆ Beating Transformers using Synthetic Cognition
The road to Artificial General Intelligence goes through the generation of context-aware reactive behaviors, where the Transformer architecture has been proven to be the state-of-the-art. However, they still fail to develop reasoning. Recently, a novel approach for developing cognitive architectures, called Synthetic Cognition, has been proposed and implemented to develop instantaneous reactive behavior. In this study, we aim to explore the use of Synthetic Cognition to develop context-aware reactive behaviors. We propose a mechanism to deal with sequences for the recent implementation of Synthetic Cognition, and test it against DNA foundation models in DNA sequence classification tasks. In our experiments, our proposal clearly outperforms the DNA foundation models, obtaining the best score on more benchmark tasks than the alternatives. Thus, we achieve two goals: expanding Synthetic Cognition to deal with sequences, and beating the Transformer architecture for sequence classification.
♻ ☆ Machine Learning Fairness in House Price Prediction: A Case Study of America's Expanding Metropolises
As a basic human need, housing plays a key role in enhancing health, well-being, and educational outcome in society, and the housing market is a major factor for promoting quality of life and ensuring social equity. To improve the housing conditions, there has been extensive research on building Machine Learning (ML)-driven house price prediction solutions to accurately forecast the future conditions, and help inform actions and policies in the field. In spite of their success in developing high-accuracy models, there is a gap in our understanding of the extent to which various ML-driven house price prediction approaches show ethnic and/or racial bias, which in turn is essential for the responsible use of ML, and ensuring that the ML-driven solutions do not exacerbate inequity. To fill this gap, this paper develops several ML models from a combination of structural and neighborhood-level attributes, and conducts comprehensive assessments on the fairness of ML models under various definitions of privileged groups. As a result, it finds that the ML-driven house price prediction models show various levels of bias towards protected attributes (i.e., race and ethnicity in this study). Then, it investigates the performance of different bias mitigation solutions, and the experimental results show their various levels of effectiveness on different ML-driven methods. However, in general, the in-processing bias mitigation approach tends to be more effective than the pre-processing one in this problem domain. Our code is available at https://github.com/wahab1412/housing_fairness.
comment: Accepted at ACM-COMPASS2025
♻ ☆ Towards Understanding Fine-Tuning Mechanisms of LLMs via Circuit Analysis
Fine-tuning significantly improves the performance of Large Language Models (LLMs), yet its underlying mechanisms remain poorly understood. This paper aims to provide an in-depth interpretation of the fine-tuning process through circuit analysis, a popular tool in Mechanistic Interpretability (MI). Unlike previous studies (Prakash et al. 2024; Chhabra et al. 2024) that focus on tasks where pre-trained models already perform well, we develop a set of mathematical tasks where fine-tuning yields substantial performance gains, which are closer to the practical setting. In our experiments, we identify circuits at various checkpoints during fine-tuning and examine the interplay between circuit analysis, fine-tuning methods, and task complexities. First, we find that while circuits maintain high node similarity before and after fine-tuning, their edges undergo significant changes, in contrast to prior work that shows circuits only add some additional components after fine-tuning. Based on these observations, we develop a circuit-aware Low-Rank Adaptation (LoRA) method, which assigns ranks to layers based on edge changes in the circuits. Experimental results demonstrate that our circuit-based LoRA algorithm achieves an average performance improvement of 2.46% over standard LoRA with similar parameter sizes. Furthermore, we explore how combining circuits from subtasks can enhance fine-tuning in compositional tasks, providing new insights into the design of such tasks and deepening the understanding of circuit dynamics and fine-tuning mechanisms.
comment: 25 pages
♻ ☆ Joint Learning of Energy-based Models and their Partition Function
Energy-based models (EBMs) offer a flexible framework for parameterizing probability distributions using neural networks. However, learning EBMs by exact maximum likelihood estimation (MLE) is generally intractable, due to the need to compute the partition function (normalization constant). In this paper, we propose a novel formulation for approximately learning probabilistic EBMs in combinatorially-large discrete spaces, such as sets or permutations. Our key idea is to jointly learn both an energy model and its log-partition, both parameterized as a neural network. Our approach not only provides a novel tractable objective criterion to learn EBMs by stochastic gradient descent (without relying on MCMC), but also a novel means to estimate the log-partition function on unseen data points. On the theoretical side, we show that our approach recovers the optimal MLE solution when optimizing in the space of continuous functions. Furthermore, we show that our approach naturally extends to the broader family of Fenchel-Young losses, allowing us to obtain the first tractable method for optimizing the sparsemax loss in combinatorially-large spaces. We demonstrate our approach on multilabel classification and label ranking.
♻ ☆ Preempting Text Sanitization Utility in Resource-Constrained Privacy-Preserving LLM Interactions
Interactions with online Large Language Models raise privacy issues where providers can gather sensitive information about users and their companies from the prompts. While textual prompts can be sanitized using Differential Privacy, we show that it is difficult to anticipate the performance of an LLM on such sanitized prompt. Poor performance has clear monetary consequences for LLM services charging on a pay-per-use model as well as great amount of computing resources wasted. To this end, we propose a middleware architecture leveraging a Small Language Model to predict the utility of a given sanitized prompt before it is sent to the LLM. We experimented on a summarization task and a translation task to show that our architecture helps prevent such resource waste for up to 20% of the prompts. During our study, we also reproduced experiments from one of the most cited paper on text sanitization using DP and show that a potential performance-driven implementation choice dramatically changes the output while not being explicitly acknowledged in the paper.
♻ ☆ Detecting High-Stakes Interactions with Activation Probes
Monitoring is an important aspect of safely deploying Large Language Models (LLMs). This paper examines activation probes for detecting "high-stakes" interactions -- where the text indicates that the interaction might lead to significant harm -- as a critical, yet underexplored, target for such monitoring. We evaluate several probe architectures trained on synthetic data, and find them to exhibit robust generalization to diverse, out-of-distribution, real-world data. Probes' performance is comparable to that of prompted or finetuned medium-sized LLM monitors, while offering computational savings of six orders-of-magnitude. Our experiments also highlight the potential of building resource-aware hierarchical monitoring systems, where probes serve as an efficient initial filter and flag cases for more expensive downstream analysis. We release our novel synthetic dataset and codebase to encourage further study.
comment: 33 pages
♻ ☆ Merging Smarter, Generalizing Better: Enhancing Model Merging on OOD Data
Multi-task learning (MTL) concurrently trains a model on diverse task datasets to exploit common features, thereby improving overall performance across the tasks. Recent studies have dedicated efforts to merging multiple independent model parameters into a unified model for MTL, thus circumventing the need for training data and expanding the scope of applicable scenarios of MTL. However, current approaches to model merging predominantly concentrate on enhancing performance within in-domain (ID) datasets, often overlooking their efficacy on out-of-domain (OOD) datasets. In this work, we proposed LwPTV (Layer-wise Pruning Task Vector) by building a saliency score, measuring the redundancy of parameters in task vectors. Designed in this way ours can achieve mask vector for each task and thus perform layer-wise pruning on the task vectors, only keeping the pre-trained model parameters at the corresponding layer in merged model. Owing to its flexibility, our method can be seamlessly integrated with most of existing model merging methods to improve their performance on OOD tasks. Extensive experiments demonstrate that the application of our method results in substantial enhancements in OOD performance while preserving the ability on ID tasks.
comment: Minor formatting adjustments; no changes to content
♻ ☆ Fast Inference with Kronecker-Sparse Matrices
Kronecker-sparse (KS) matrices -- whose supports are Kronecker products of identity and all-ones blocks -- underpin the structure of Butterfly and Monarch matrices and offer the promise of more efficient models. However, existing GPU kernels for KS matrix multiplication suffer from high data movement costs, with up to 50% of time spent on memory-bound tensor permutations. We propose a fused, output-stationary GPU kernel that eliminates these overheads, reducing global memory traffic threefold. Across 600 KS patterns, our kernel achieves in FP32 a median speedup of x1.4 and lowers energy consumption by 15%. A simple heuristic based on KS pattern parameters predicts when our method outperforms existing ones. We release all code at github.com/PascalCarrivain/ksmm, including a PyTorch-compatible KSLinear layer, and demonstrate in FP32 end-to-end latency reductions of up to 22% in ViT-S/16 and 16% in GPT-2 medium.
♻ ☆ A Rescaling-Invariant Lipschitz Bound Based on Path-Metrics for Modern ReLU Network Parameterizations
Robustness with respect to weight perturbations underpins guarantees for generalization, pruning and quantization. Existing guarantees rely on Lipschitz bounds in parameter space, cover only plain feed-forward MLPs, and break under the ubiquitous neuron-wise rescaling symmetry of ReLU networks. We prove a new Lipschitz inequality expressed through the $\ell^1$-path-metric of the weights. The bound is (i) rescaling-invariant by construction and (ii) applies to any ReLU-DAG architecture with any combination of convolutions, skip connections, pooling, and frozen (inference-time) batch-normalization -- thus encompassing ResNets, U-Nets, VGG-style CNNs, and more. By respecting the network's natural symmetries, the new bound strictly sharpens prior parameter-space bounds and can be computed in two forward passes. To illustrate its utility, we derive from it a symmetry-aware pruning criterion and show -- through a proof-of-concept experiment on a ResNet-18 trained on ImageNet -- that its pruning performance matches that of classical magnitude pruning, while becoming totally immune to arbitrary neuron-wise rescalings.
♻ ☆ Time to Spike? Understanding the Representational Power of Spiking Neural Networks in Discrete Time
Recent years have seen significant progress in developing spiking neural networks (SNNs) as a potential solution to the energy challenges posed by conventional artificial neural networks (ANNs). However, our theoretical understanding of SNNs remains relatively limited compared to the ever-growing body of literature on ANNs. In this paper, we study a discrete-time model of SNNs based on leaky integrate-and-fire (LIF) neurons, referred to as discrete-time LIF-SNNs, a widely used framework that still lacks solid theoretical foundations. We demonstrate that discrete-time LIF-SNNs with static inputs and outputs realize piecewise constant functions defined on polyhedral regions, and more importantly, we quantify the network size required to approximate continuous functions. Moreover, we investigate the impact of latency (number of time steps) and depth (number of layers) on the complexity of the input space partitioning induced by discrete-time LIF-SNNs. Our analysis highlights the importance of latency and contrasts these networks with ANNs employing piecewise linear activation functions. Finally, we present numerical experiments to support our theoretical findings.
♻ ☆ BalanceBenchmark: A Survey for Multimodal Imbalance Learning
Multimodal learning has gained attention for its capacity to integrate information from different modalities. However, it is often hindered by the multimodal imbalance problem, where certain modality dominates while others remain underutilized. Although recent studies have proposed various methods to alleviate this problem, they lack comprehensive and fair comparisons. In this paper, we systematically categorize various mainstream multimodal imbalance algorithms into four groups based on the strategies they employ to mitigate imbalance. To facilitate a comprehensive evaluation of these methods, we introduce BalanceBenchmark, a benchmark including multiple widely used multidimensional datasets and evaluation metrics from three perspectives: performance, imbalance degree, and complexity. To ensure fair comparisons, we have developed a modular and extensible toolkit that standardizes the experimental workflow across different methods. Based on the experiments using BalanceBenchmark, we have identified several key insights into the characteristics and advantages of different method groups in terms of performance, balance degree and computational complexity. We expect such analysis could inspire more efficient approaches to address the imbalance problem in the future, as well as foundation models. The code of the toolkit is available at https://github.com/GeWu-Lab/BalanceBenchmark.
comment: 9 pages, 3 figures
♻ ☆ CoNNect: Connectivity-Based Regularization for Structural Pruning
Pruning encompasses a range of techniques aimed at increasing the sparsity of neural networks (NNs). These techniques can generally be framed as minimizing a loss function subject to an $L_0$ norm constraint. This paper introduces CoNNect, a novel differentiable regularizer for sparse NN training that ensures connectivity between input and output layers. We prove that CoNNect approximates $L_0$ regularization, guaranteeing maximally connected network structures while avoiding issues like layer collapse. Moreover, CoNNect is easily integrated with established structural pruning strategies. Numerical experiments demonstrate that CoNNect can improve classical pruning strategies and enhance state-of-the-art one-shot pruners, such as DepGraph and LLM-pruner.
♻ ☆ Saturation Self-Organizing Map
Continual learning poses a fundamental challenge for neural systems, which often suffer from catastrophic forgetting when exposed to sequential tasks. Self-Organizing Maps (SOMs), despite their interpretability and efficiency, are not immune to this issue. In this paper, we introduce Saturation Self-Organizing Maps (SatSOM)-an extension of SOMs designed to improve knowledge retention in continual learning scenarios. SatSOM incorporates a novel saturation mechanism that gradually reduces the learning rate and neighborhood radius of neurons as they accumulate information. This effectively freezes well-trained neurons and redirects learning to underutilized areas of the map.
comment: github repository: https://github.com/Radinyn/satsom
♻ ☆ TrajAgent: An LLM-based Agent Framework for Automated Trajectory Modeling via Collaboration of Large and Small Models
Trajectory modeling, which includes research on trajectory data pattern mining and future prediction, has widespread applications in areas such as life services, urban transportation, and public administration. Numerous methods have been proposed to address specific problems within trajectory modeling. However, the heterogeneity of data and the diversity of trajectory tasks make effective and reliable trajectory modeling an important yet highly challenging endeavor, even for domain experts. In this paper, we propose \textit{TrajAgent}, a agent framework powered by large language models (LLMs), designed to facilitate robust and efficient trajectory modeling through automation modeling. This framework leverages and optimizes diverse specialized models to address various trajectory modeling tasks across different datasets effectively. In \textit{TrajAgent}, we first develop \textit{UniEnv}, an execution environment with a unified data and model interface, to support the execution and training of various models. Building on \textit{UniEnv}, we introduce an agentic workflow designed for automatic trajectory modeling across various trajectory tasks and data. Furthermore, we introduce collaborative learning schema between LLM-based agents and small speciallized models, to enhance the performance of the whole framework effectively. Extensive experiments on four tasks using four real-world datasets demonstrate the effectiveness of \textit{TrajAgent} in automated trajectory modeling, achieving a performance improvement of 2.38\%-34.96\% over baseline methods.
comment: the code will be openly accessible at: https://github.com/tsinghua-fib-lab/TrajAgent
♻ ☆ Learnable Activation Functions in Physics-Informed Neural Networks for Solving Partial Differential Equations
Physics-Informed Neural Networks (PINNs) have emerged as a promising approach for solving Partial Differential Equations (PDEs). However, they face challenges related to spectral bias (the tendency to learn low-frequency components while struggling with high-frequency features) and unstable convergence dynamics (mainly stemming from the multi-objective nature of the PINN loss function). These limitations impact their accuracy for problems involving rapid oscillations, sharp gradients, and complex boundary behaviors. We systematically investigate learnable activation functions as a solution to these challenges, comparing Multilayer Perceptrons (MLPs) using fixed and learnable activation functions against Kolmogorov-Arnold Networks (KANs) that employ learnable basis functions. Our evaluation spans diverse PDE types, including linear and non-linear wave problems, mixed-physics systems, and fluid dynamics. Using empirical Neural Tangent Kernel (NTK) analysis and Hessian eigenvalue decomposition, we assess spectral bias and convergence stability of the models. Our results reveal a trade-off between expressivity and training convergence stability. While learnable activation functions work well in simpler architectures, they encounter scalability issues in complex networks due to the higher functional dimensionality. Counterintuitively, we find that low spectral bias alone does not guarantee better accuracy, as functions with broader NTK eigenvalue spectra may exhibit convergence instability. We demonstrate that activation function selection remains inherently problem-specific, with different bases showing distinct advantages for particular PDE characteristics. We believe these insights will help in the design of more robust neural PDE solvers.
♻ ☆ Taming OOD Actions for Offline Reinforcement Learning: An Advantage-Based Approach
Offline reinforcement learning (RL) aims to learn decision-making policies from fixed datasets without online interactions, providing a practical solution where online data collection is expensive or risky. However, offline RL often suffers from distribution shift, resulting in inaccurate evaluation and substantial overestimation on out-of-distribution (OOD) actions. To address this, existing approaches incorporate conservatism by indiscriminately discouraging all OOD actions, thereby hindering the agent's ability to generalize and exploit beneficial ones. In this paper, we propose Advantage-based Diffusion Actor-Critic (ADAC), a novel method that systematically evaluates OOD actions using the batch-optimal value function. Based on this evaluation, ADAC defines an advantage function to modulate the Q-function update, enabling more precise assessment of OOD action quality. We design a custom PointMaze environment and collect datasets to visually reveal that advantage modulation can effectively identify and select superior OOD actions. Extensive experiments show that ADAC achieves state-of-the-art performance on almost all tasks in the D4RL benchmark, with particularly clear margins on the more challenging tasks.
♻ ☆ The Sharpness Disparity Principle in Transformers for Accelerating Language Model Pre-Training ICML 2025
Transformers consist of diverse building blocks, such as embedding layers, normalization layers, self-attention mechanisms, and point-wise feedforward networks. Thus, understanding the differences and interactions among these blocks is important. In this paper, we uncover a clear Sharpness Disparity across these blocks, which emerges early in training and intriguingly persists throughout the training process. Motivated by this finding, we propose Blockwise Learning Rate (LR), a strategy that tailors the LR to each block's sharpness, accelerating large language model (LLM) pre-training. By integrating Blockwise LR into AdamW, we consistently achieve lower terminal loss and nearly $2\times$ speedup compared to vanilla AdamW. We demonstrate this acceleration across GPT-2 and LLaMA, with model sizes ranging from 0.12B to 2B and datasets of OpenWebText, MiniPile, and C4. Finally, we incorporate Blockwise LR into Adam-mini (Zhang et al., 2024), a recently proposed memory-efficient variant of Adam, achieving a combined $2\times$ speedup and $2\times$ memory saving. These results underscore the potential of exploiting the sharpness disparity to improve LLM training.
comment: 21 pages, accepted by ICML 2025
♻ ☆ PFDial: A Structured Dialogue Instruction Fine-tuning Method Based on UML Flowcharts
Process-driven dialogue systems, which operate under strict predefined process constraints, are essential in customer service and equipment maintenance scenarios. Although Large Language Models (LLMs) have shown remarkable progress in dialogue and reasoning, they still struggle to solve these strictly constrained dialogue tasks. To address this challenge, we construct Process Flow Dialogue (PFDial) dataset, which contains 12,705 high-quality Chinese dialogue instructions derived from 440 flowcharts containing 5,055 process nodes. Based on PlantUML specification, each UML flowchart is converted into atomic dialogue units i.e., structured five-tuples. Experimental results demonstrate that a 7B model trained with merely 800 samples, and a 0.5B model trained on total data both can surpass 90% accuracy. Additionally, the 8B model can surpass GPT-4o up to 43.88% with an average of 11.00%. We further evaluate models' performance on challenging backward transitions in process flows and conduct an in-depth analysis of various dataset formats to reveal their impact on model performance in handling decision and sequential branches. The data is released in https://github.com/KongLongGeFDU/PFDial.
♻ ☆ Simplicity is Key: An Unsupervised Pretraining Approach for Sparse Radio Channels
We introduce the Sparse pretrained Radio Transformer (SpaRTran), an unsupervised representation learning approach based on the concept of compressed sensing for radio channels. Our approach learns embeddings that focus on the physical properties of radio propagation, to create the optimal basis for fine-tuning on radio-based downstream tasks. SpaRTran uses a sparse gated autoencoder that induces a simplicity bias to the learned representations, resembling the sparse nature of radio propagation. For signal reconstruction, it learns a dictionary that holds atomic features, which increases flexibility across signal waveforms and spatiotemporal signal patterns. Our experiments show that SpaRTran reduces errors by up to 85 % compared to state-of-the-art methods when fine-tuned on radio fingerprinting, a challenging downstream task. In addition, our method requires less pretraining effort and offers greater flexibility, as we train it solely on individual radio signals. SpaRTran serves as an excellent base model that can be fine-tuned for various radio-based downstream tasks, effectively reducing the cost for labeling. In addition, it is significantly more versatile than existing methods and demonstrates superior generalization.
comment: 8 pages, 1 figure
♻ ☆ Quantitative Analysis of Performance Drop in DeepSeek Model Quantization
Recently, there is a high demand for deploying DeepSeek-R1 and V3 locally, possibly because the official service often suffers from being busy and some organizations have data privacy concerns. While single-machine deployment offers infrastructure simplicity, the models' 671B FP8 parameter configuration exceeds the practical memory limits of a standard 8-GPU machine. Quantization is a widely used technique that helps reduce model memory consumption. However, it is unclear what the performance of DeepSeek-R1 and V3 will be after being quantized. This technical report presents the first quantitative evaluation of multi-bitwidth quantization across the complete DeepSeek model spectrum. Key findings reveal that 4-bit quantization maintains little performance degradation versus FP8 while enabling single-machine deployment on standard NVIDIA GPU devices. We further propose DQ3_K_M, a dynamic 3-bit quantization method that significantly outperforms traditional Q3_K_M variant on various benchmarks, which is also comparable with 4-bit quantization (Q4_K_M) approach in most tasks. Moreover, DQ3_K_M supports single-machine deployment configurations for both NVIDIA H100/A100 and Huawei 910B. Our implementation of DQ3\_K\_M is released at https://github.com/UnicomAI/DeepSeek-Eval, containing optimized 3-bit quantized variants of both DeepSeek-R1 and DeepSeek-V3.
comment: This version added the results of DeepSeek-V3-0324
♻ ☆ Critical Influence of Overparameterization on Sharpness-aware Minimization
Sharpness-Aware Minimization (SAM) has attracted considerable attention for its effectiveness in improving generalization in deep neural network training by explicitly minimizing sharpness in the loss landscape. Its success, however, relies on the assumption that there exists sufficient variability of flatness in the solution space-a condition commonly facilitated by overparameterization. Yet, the interaction between SAM and overparameterization has not been thoroughly investigated, leaving a gap in understanding precisely how overparameterization affects SAM. Thus, in this work, we analyze SAM under varying degrees of overparameterization, presenting both empirical and theoretical findings that reveal its critical influence on SAM's effectiveness. First, we conduct extensive numerical experiments across diverse domains, demonstrating that SAM consistently benefits from overparameterization. Next, we attribute this phenomenon to the interplay between the enlarged solution space and increased implicit bias resulting from overparameterization. Furthermore, we show that this effect is particularly pronounced in practical settings involving label noise and sparsity, and yet, sufficient regularization is necessary. Last but not least, we provide other theoretical insights into how overparameterization helps SAM achieve minima with more uniform Hessian moments compared to SGD, and much faster convergence at a linear rate.
comment: UAI 2025
♻ ☆ Dynamic and Adaptive Feature Generation with LLM IJCAI 2025
The representation of feature space is a crucial environment where data points get vectorized and embedded for subsequent modeling. Thus the efficacy of machine learning (ML) algorithms is closely related to the quality of feature engineering. As one of the most important techniques, feature generation transforms raw data into an optimized feature space conducive to model training and further refines the space. Despite the advancements in automated feature engineering and feature generation, current methodologies often suffer from three fundamental issues: lack of explainability, limited applicability, and inflexible strategy. These shortcomings frequently hinder and limit the deployment of ML models across varied scenarios. Our research introduces a novel approach adopting large language models (LLMs) and feature-generating prompts to address these challenges. We propose a dynamic and adaptive feature generation method that enhances the interpretability of the feature generation process. Our approach broadens the applicability across various data types and tasks and offers advantages over strategic flexibility. A broad range of experiments showcases that our approach is significantly superior to existing methods.
comment: Accepted by IJCAI 2025
♻ ☆ Practical Improvements of A/B Testing with Off-Policy Estimation
We address the problem of A/B testing, a widely used protocol for evaluating the potential improvement achieved by a new decision system compared to a baseline. This protocol segments the population into two subgroups, each exposed to a version of the system and estimates the improvement as the difference between the measured effects. In this work, we demonstrate that the commonly used difference-in-means estimator, while unbiased, can be improved. We introduce a family of unbiased off-policy estimators that achieves lower variance than the standard approach. Among this family, we identify the estimator with the lowest variance. The resulting estimator is simple, and offers substantial variance reduction when the two tested systems exhibit similarities. Our theoretical analysis and experimental results validate the effectiveness and practicality of the proposed method.
♻ ☆ LEKA:LLM-Enhanced Knowledge Augmentation IJCAI 2025
Humans excel in analogical learning and knowledge transfer and, more importantly, possess a unique understanding of identifying appropriate sources of knowledge. From a model's perspective, this presents an interesting challenge. If models could autonomously retrieve knowledge useful for transfer or decision-making to solve problems, they would transition from passively acquiring to actively accessing and learning from knowledge. However, filling models with knowledge is relatively straightforward -- it simply requires more training and accessible knowledge bases. The more complex task is teaching models about which knowledge can be analogized and transferred. Therefore, we design a knowledge augmentation method, LEKA, for knowledge transfer that actively searches for suitable knowledge sources that can enrich the target domain's knowledge. This LEKA method extracts key information from the target domain's textual information, retrieves pertinent data from external data libraries, and harmonizes retrieved data with the target domain data in feature space and marginal probability measures. We validate the effectiveness of our approach through extensive experiments across various domains and demonstrate significant improvements over traditional methods in reducing computational costs, automating data alignment, and optimizing transfer learning outcomes.
comment: Accepted by IJCAI 2025
♻ ☆ BitNet v2: Native 4-bit Activations with Hadamard Transformation for 1-bit LLMs
Efficient deployment of 1-bit Large Language Models (LLMs) is hindered by activation outliers, which complicate quantization to low bit-widths. We introduce BitNet v2, a novel framework enabling native 4-bit activation quantization for 1-bit LLMs. To tackle outliers in attention and feed-forward network activations, we propose H-BitLinear, a module applying an online Hadamard transformation prior to activation quantization. This transformation smooths sharp activation distributions into more Gaussian-like forms, suitable for low-bit representation. Experiments show BitNet v2 trained from scratch with 8-bit activations matches BitNet b1.58 performance. Crucially, BitNet v2 achieves minimal performance degradation when trained with native 4-bit activations, significantly reducing memory footprint and computational cost for batched inference.
comment: Work in progress
♻ ☆ Unsafe LLM-Based Search: Quantitative Analysis and Mitigation of Safety Risks in AI Web Search
Recent advancements in Large Language Models (LLMs) have significantly enhanced the capabilities of AI-Powered Search Engines (AIPSEs), offering precise and efficient responses by integrating external databases with pre-existing knowledge. However, we observe that these AIPSEs raise risks such as quoting malicious content or citing malicious websites, leading to harmful or unverified information dissemination. In this study, we conduct the first safety risk quantification on seven production AIPSEs by systematically defining the threat model, risk type, and evaluating responses to various query types. With data collected from PhishTank, ThreatBook, and LevelBlue, our findings reveal that AIPSEs frequently generate harmful content that contains malicious URLs even with benign queries (e.g., with benign keywords). We also observe that directly querying a URL will increase the number of main risk-inclusive responses, while querying with natural language will slightly mitigate such risk. Compared to traditional search engines, AIPSEs outperform in both utility and safety. We further perform two case studies on online document spoofing and phishing to show the ease of deceiving AIPSEs in the real-world setting. To mitigate these risks, we develop an agent-based defense with a GPT-4.1-based content refinement tool and a URL detector. Our evaluation shows that our defense can effectively reduce the risk, with only a minor cost of reducing available information by approximately 10.7%. Our research highlights the urgent need for robust safety measures in AIPSEs.
♻ ☆ Conformal Linguistic Calibration: Trading-off between Factuality and Specificity
Language model outputs are not always reliable, thus prompting research into how to adapt model responses based on uncertainty. Common approaches include: \emph{abstention}, where models refrain from generating responses when uncertain; and \emph{linguistic calibration}, where models hedge their statements using uncertainty quantifiers. However, abstention can withhold valuable information, while linguistically calibrated responses are often challenging to leverage in downstream tasks. We propose a unified view, Conformal Linguistic Calibration (CLC), which reinterprets linguistic calibration as \emph{answer set prediction}. First we present a framework connecting abstention and linguistic calibration through the lens of linguistic pragmatics. We then describe an implementation of CLC that allows for controlling the level of imprecision in model responses. Results demonstrate our method produces calibrated outputs with conformal guarantees on factual accuracy. Further, our approach enables fine-tuning models to perform uncertainty-aware adaptive claim rewriting, offering a controllable balance between factuality and specificity.
♻ ☆ DiffTORI: Differentiable Trajectory Optimization for Deep Reinforcement and Imitation Learning NeurIPS 2024
This paper introduces DiffTORI, which utilizes Differentiable Trajectory Optimization as the policy representation to generate actions for deep Reinforcement and Imitation learning. Trajectory optimization is a powerful and widely used algorithm in control, parameterized by a cost and a dynamics function. The key to our approach is to leverage the recent progress in differentiable trajectory optimization, which enables computing the gradients of the loss with respect to the parameters of trajectory optimization. As a result, the cost and dynamics functions of trajectory optimization can be learned end-to-end. DiffTORI addresses the ``objective mismatch'' issue of prior model-based RL algorithms, as the dynamics model in DiffTORI is learned to directly maximize task performance by differentiating the policy gradient loss through the trajectory optimization process. We further benchmark DiffTORI for imitation learning on standard robotic manipulation task suites with high-dimensional sensory observations and compare our method to feed-forward policy classes as well as Energy-Based Models (EBM) and Diffusion. Across 15 model-based RL tasks and 35 imitation learning tasks with high-dimensional image and point cloud inputs, DiffTORI outperforms prior state-of-the-art methods in both domains. Our code is available at https://github.com/wkwan7/DiffTORI.
comment: NeurIPS 2024 (Spotlight)
♻ ☆ Multiverse: Your Language Models Secretly Decide How to Parallelize and Merge Generation
Autoregressive Large Language Models (AR-LLMs) frequently exhibit implicit parallelism in sequential generation. Inspired by this, we introduce Multiverse, a new generative model that enables natively parallel generation. Multiverse internalizes a MapReduce paradigm, generating automatically through three stages: (i) a Map stage for adaptive task decomposition, (ii) a Process stage for parallel subtask execution, and (iii) a Reduce stage for lossless result synthesis. Next, we build a real-world Multiverse reasoning model with co-design of data, algorithm, and system, enabling rapid and seamless transfer from frontier AR-LLMs. For data creation, we develop Multiverse Curator, an automated LLM-assisted pipeline that transforms sequential reasoning chains into structured training data, avoiding costly human annotations. Algorithmically, we design Multiverse Attention to separate parallel reasoning steps while keeping compatibility with causal attention for efficient training. Systematically, we implement Multiverse Engine to support parallel inference. It features a dedicated interpreter that dynamically switches between sequential and parallel generation, triggered directly by the model. After a 3-hour fine-tuning with 1K examples, our Multiverse-32B stands as the only open-sourced non-AR model achieving performance on par with leading AR-LLMs of the same scale, evidenced by AIME24 & 25 scores of 54% and 46%, respectively. Moreover, our budget control experiments show that Multiverse-32B exhibits superior scaling, outperforming AR-LLMs by 1.87% on average using the same context length. Such scaling further leads to practical efficiency gains, achieving up to 2x speedup across varying batch sizes. We have open-sourced the entire Multiverse ecosystem, including data, model weights, engine, as well as complete data curation prompts and detailed training and evaluation recipes.
♻ ☆ VulScribeR: Exploring RAG-based Vulnerability Augmentation with LLMs
Detecting vulnerabilities is vital for software security, yet deep learning-based vulnerability detectors (DLVD) face a data shortage, which limits their effectiveness. Data augmentation can potentially alleviate the data shortage, but augmenting vulnerable code is challenging and requires a generative solution that maintains vulnerability. Previous works have only focused on generating samples that contain single statements or specific types of vulnerabilities. Recently, large language models (LLMs) have been used to solve various code generation and comprehension tasks with inspiring results, especially when fused with retrieval augmented generation (RAG). Therefore, we propose VulScribeR, a novel LLM-based solution that leverages carefully curated prompt templates to augment vulnerable datasets. More specifically, we explore three strategies to augment both single and multi-statement vulnerabilities, with LLMs, namely Mutation, Injection, and Extension. Our extensive evaluation across four vulnerability datasets and DLVD models, using three LLMs, show that our approach beats two SOTA methods Vulgen and VGX, and Random Oversampling (ROS) by 27.48%, 27.93%, and 15.41% in f1-score with 5K generated vulnerable samples on average, and 53.84%, 54.10%, 69.90%, and 40.93% with 15K generated vulnerable samples. Our approach demonstrates its feasibility for large-scale data augmentation by generating 1K samples at as cheap as US$ 1.88.
comment: 25 pages, 6 figures, 8 tables, 3 prompt templates, 1 algorithm
♻ ☆ ReinFlow: Fine-tuning Flow Matching Policy with Online Reinforcement Learning
We propose ReinFlow, a simple yet effective online reinforcement learning (RL) framework that fine-tunes a family of flow matching policies for continuous robotic control. Derived from rigorous RL theory, ReinFlow injects learnable noise into a flow policy's deterministic path, converting the flow into a discrete-time Markov Process for exact and straightforward likelihood computation. This conversion facilitates exploration and ensures training stability, enabling ReinFlow to fine-tune diverse flow model variants, including Rectified Flow [35] and Shortcut Models [19], particularly at very few or even one denoising step. We benchmark ReinFlow in representative locomotion and manipulation tasks, including long-horizon planning with visual input and sparse reward. The episode reward of Rectified Flow policies obtained an average net growth of 135.36% after fine-tuning in challenging legged locomotion tasks while saving denoising steps and 82.63% of wall time compared to state-of-the-art diffusion RL fine-tuning method DPPO [43]. The success rate of the Shortcut Model policies in state and visual manipulation tasks achieved an average net increase of 40.34% after fine-tuning with ReinFlow at four or even one denoising step, whose performance is comparable to fine-tuned DDIM policies while saving computation time for an average of 23.20%. Project webpage: https://reinflow.github.io/
comment: 30 pages, 13 figures, 10 tables
♻ ☆ Agnostic Tomography of Stabilizer Product States
We define a quantum learning task called agnostic tomography, where given copies of an arbitrary state $\rho$ and a class of quantum states $\mathcal{C}$, the goal is to output a succinct description of a state that approximates $\rho$ at least as well as any state in $\mathcal{C}$ (up to some small error $\varepsilon$). This task generalizes ordinary quantum tomography of states in $\mathcal{C}$ and is more challenging because the learning algorithm must be robust to perturbations of $\rho$. We give an efficient agnostic tomography algorithm for the class $\mathcal{C}$ of $n$-qubit stabilizer product states. Assuming $\rho$ has fidelity at least $\tau$ with a stabilizer product state, the algorithm runs in time $n^{O(1 + \log(1/\tau))} / \varepsilon^2$. This runtime is quasipolynomial in all parameters, and polynomial if $\tau$ is a constant.
comment: 21 pages. V2: minor corrections. V3: addition of new references
♻ ☆ Transformers for Learning on Noisy and Task-Level Manifolds: Approximation and Generalization Insights
Transformers serve as the foundational architecture for large language and video generation models, such as GPT, BERT, SORA and their successors. Empirical studies have demonstrated that real-world data and learning tasks exhibit low-dimensional structures, along with some noise or measurement error. The performance of transformers tends to depend on the intrinsic dimension of the data/tasks, though theoretical understandings remain largely unexplored for transformers. This work establishes a theoretical foundation by analyzing the performance of transformers for regression tasks involving noisy input data on a manifold. Specifically, the input data are in a tubular neighborhood of a manifold, while the ground truth function depends on the projection of the noisy data onto the manifold. We prove approximation and generalization errors which crucially depend on the intrinsic dimension of the manifold. Our results demonstrate that transformers can leverage low-complexity structures in learning task even when the input data are perturbed by high-dimensional noise. Our novel proof technique constructs representations of basic arithmetic operations by transformers, which may hold independent interest.
♻ ☆ Policy Optimization and Multi-agent Reinforcement Learning for Mean-variance Team Stochastic Games
We study a long-run mean-variance team stochastic game (MV-TSG), where each agent shares a common mean-variance objective for the system and takes actions independently to maximize it. MV-TSG has two main challenges. First, the variance metric is neither additive nor Markovian in a dynamic setting. Second, simultaneous policy updates of all agents lead to a non-stationary environment for each individual agent. Both challenges make dynamic programming inapplicable. In this paper, we study MV-TSGs from the perspective of sensitivity-based optimization. The performance difference and performance derivative formulas for joint policies are derived, which provide optimization information for MV-TSGs. We prove the existence of a deterministic Nash policy for this problem. Subsequently, we propose a Mean-Variance Multi-Agent Policy Iteration (MV-MAPI) algorithm with a sequential update scheme, where individual agent policies are updated one by one in a given order. We prove that the MV-MAPI algorithm converges to a first-order stationary point of the objective function. By analyzing the local geometry of stationary points, we derive specific conditions for stationary points to be (local) Nash equilibria, and further, strict local optima. To solve large-scale MV-TSGs in scenarios with unknown environmental parameters, we extend the idea of trust region methods to MV-MAPI and develop a multi-agent reinforcement learning algorithm named Mean-Variance Multi-Agent Trust Region Policy Optimization (MV-MATRPO). We derive a performance lower bound for each update of joint policies. Finally, numerical experiments on energy management in multiple microgrid systems are conducted.
♻ ☆ Transferable Post-training via Inverse Value Learning NAACL 2025
As post-training processes utilize increasingly large datasets and base models continue to grow in size, the computational demands and implementation challenges of existing algorithms are escalating significantly. In this paper, we propose modeling the changes at the logits level during post-training using a separate neural network (i.e., the value network). After training this network on a small base model using demonstrations, this network can be seamlessly integrated with other pre-trained models during inference, enables them to achieve similar capability enhancements. We systematically investigate the best practices for this paradigm in terms of pre-training weights and connection schemes. We demonstrate that the resulting value network has broad transferability across pre-trained models of different parameter sizes within the same family, models undergoing continuous pre-training within the same family, and models with different vocabularies across families. In certain cases, it can achieve performance comparable to full-parameter fine-tuning. Furthermore, we explore methods to enhance the transferability of the value model and prevent overfitting to the base model used during training.
comment: NAACL 2025 Camera Ready
♻ ☆ Where is the Truth? The Risk of Getting Confounded in a Continual World
A dataset is confounded if it is most easily solved via a spurious correlation, which fails to generalize to new data. In this work, we show that, in a continual learning setting where confounders may vary in time across tasks, the challenge of mitigating the effect of confounders far exceeds the standard forgetting problem normally considered. In particular, we provide a formal description of such continual confounders and identify that, in general, spurious correlations are easily ignored when training for all tasks jointly, but it is harder to avoid confounding when they are considered sequentially. These descriptions serve as a basis for constructing a novel CLEVR-based continually confounded dataset, which we term the ConCon dataset. Our evaluations demonstrate that standard continual learning methods fail to ignore the dataset's confounders. Overall, our work highlights the challenges of confounding factors, particularly in continual learning settings, and demonstrates the need for developing continual learning methods to robustly tackle these.
♻ ☆ PhysNav-DG: A Novel Adaptive Framework for Robust VLM-Sensor Fusion in Navigation Applications CVPR
Robust navigation in diverse environments and domains requires both accurate state estimation and transparent decision making. We present PhysNav-DG, a novel framework that integrates classical sensor fusion with the semantic power of vision-language models. Our dual-branch architecture predicts navigation actions from multi-sensor inputs while simultaneously generating detailed chain-of-thought explanations. A modified Adaptive Kalman Filter dynamically adjusts its noise parameters based on environmental context. It leverages several streams of raw sensor data along with semantic insights from models such as LLaMA 3.2 11B and BLIP-2. To evaluate our approach, we introduce the MD-NEX Benchmark, a novel multi-domain dataset that unifies indoor navigation, autonomous driving, and social navigation tasks with ground-truth actions and human-validated explanations. Extensive experiments and ablations show that PhysNav-DG improves navigation success rates by over 20% and achieves high efficiency, with explanations that are both highly grounded and clear. This work connects high-level semantic reasoning and geometric planning for safer and more trustworthy autonomous systems.
comment: Accepted at IEEE/CVF Computer Society Conference on Computer Vision and Pattern Recognition Workshops 2025 (CVPRW)
♻ ☆ Evolution Guided Generative Flow Networks
Generative Flow Networks (GFlowNets) are a family of probabilistic generative models that learn to sample compositional objects proportional to their rewards. One big challenge of GFlowNets is training them effectively when dealing with long time horizons and sparse rewards. To address this, we propose Evolution guided generative flow networks (EGFN), a simple but powerful augmentation to the GFlowNets training using Evolutionary algorithms (EA). Our method can work on top of any GFlowNets training objective, by training a set of agent parameters using EA, storing the resulting trajectories in the prioritized replay buffer, and training the GFlowNets agent using the stored trajectories. We present a thorough investigation over a wide range of toy and real-world benchmark tasks showing the effectiveness of our method in handling long trajectories and sparse rewards. We release the code at http://github.com/zarifikram/egfn.
comment: Transaction of machine learning research
♻ ☆ DeepGDel: Deep Learning-based Gene Deletion Prediction Framework for Growth-Coupled Production in Genome-Scale Metabolic Models
In genome-scale constraint-based metabolic models, gene deletion strategies are crucial for achieving growth-coupled production, where cell growth and target metabolite production are simultaneously achieved. While computational methods for calculating gene deletions have been widely explored and contribute to developing gene deletion strategy databases, current approaches are limited in leveraging new data-driven paradigms, such as machine learning, for more efficient strain design. Therefore, it is necessary to propose a fundamental framework for this objective. In this study, we first formulate the problem of gene deletion strategy prediction and then propose a framework for predicting gene deletion strategies for growth-coupled production in genome-scale metabolic models. The proposed framework leverages deep learning algorithms to learn and integrate sequential gene and metabolite data representation, enabling the automatic gene deletion strategy prediction. Computational experiment results demonstrate the feasibility of the proposed framework, showing substantial improvements over baseline methods. Specifically, the proposed framework achieves a 14.69%, 22.52%, and 13.03% increase in overall accuracy across three metabolic models of different scales under study, while maintaining balanced precision and recall in predicting gene deletion statuses. The source code and examples for the framework are publicly available at https://github.com/MetNetComp/DeepGDel.
♻ ☆ PPTNet: A Hybrid Periodic Pattern-Transformer Architecture for Traffic Flow Prediction and Congestion Identification
Accurate prediction of traffic flow parameters and real time identification of congestion states are essential for the efficient operation of intelligent transportation systems. This paper proposes a Periodic Pattern Transformer Network (PPTNet) for traffic flow prediction, integrating periodic pattern extraction with the Transformer architecture, coupled with a fuzzy inference method for real-time congestion identification. Firstly, a high-precision traffic flow dataset (Traffic Flow Dataset for China's Congested Highways and Expressways, TF4CHE) suitable for congested highway scenarios in China is constructed based on drone aerial imagery data. Subsequently, the proposed PPTNet employs Fast Fourier Transform to capture multi-scale periodic patterns and utilizes two-dimensional Inception convolutions to efficiently extract intra and inter periodic features. A Transformer decoder dynamically models temporal dependencies, enabling accurate predictions of traffic density and speed. Finally, congestion probabilities are calculated in real-time using the predicted outcomes via a Mamdani fuzzy inference-based congestion identification module. Experimental results demonstrate that the proposed PPTNet significantly outperforms mainstream traffic prediction methods in prediction accuracy, and the congestion identification module effectively identifies real-time road congestion states, verifying the superiority and practicality of the proposed method in real-world traffic scenarios. Project page: https://github.com/ADSafetyJointLab/PPTNet.
♻ ☆ Gaussian Process Regression for Inverse Problems in Linear PDEs
This paper introduces a computationally efficient algorithm in system theory for solving inverse problems governed by linear partial differential equations (PDEs). We model solutions of linear PDEs using Gaussian processes with priors defined based on advanced commutative algebra and algebraic analysis. The implementation of these priors is algorithmic and achieved using the Macaulay2 computer algebra software. An example application includes identifying the wave speed from noisy data for classical wave equations, which are widely used in physics. The method achieves high accuracy while enhancing computational efficiency.
♻ ☆ Searching for ribbons with machine learning
We apply Bayesian optimization and reinforcement learning to a problem in topology: the question of when a knot bounds a ribbon disk. This question is relevant in an approach to disproving the four-dimensional smooth Poincar\'e conjecture; using our programs, we rule out many potential counterexamples to the conjecture. We also show that the programs are successful in detecting many ribbon knots in the range of up to 70 crossings.
comment: 26 pages, 11 figures. Added clarifying remarks, one figure, and a detailed description of the algorithm
♻ ☆ Fast-DataShapley: Neural Modeling for Training Data Valuation
The value and copyright of training data are crucial in the artificial intelligence industry. Service platforms should protect data providers' legitimate rights and fairly reward them for their contributions. Shapley value, a potent tool for evaluating contributions, outperforms other methods in theory, but its computational overhead escalates exponentially with the number of data providers. Recent works based on Shapley values attempt to mitigate computation complexity by approximation algorithms. However, they need to retrain for each test sample, leading to intolerable costs. We propose Fast-DataShapley, a one-pass training method that leverages the weighted least squares characterization of the Shapley value to train a reusable explainer model with real-time reasoning speed. Given new test samples, no retraining is required to calculate the Shapley values of the training data. Additionally, we propose three methods with theoretical guarantees to reduce training overhead from two aspects: the approximate calculation of the utility function and the group calculation of the training data. We analyze time complexity to show the efficiency of our methods. The experimental evaluations on various image datasets demonstrate superior performance and efficiency compared to baselines. Specifically, the performance is improved to more than 2.5 times, and the explainer's training speed can be increased by two orders of magnitude.
♻ ☆ Accelerating Diffusion Large Language Models with SlowFast Sampling: The Three Golden Principles
Diffusion-based language models (dLLMs) have emerged as a promising alternative to traditional autoregressive LLMs by enabling parallel token generation and significantly reducing inference latency. However, existing sampling strategies for dLLMs, such as confidence-based or semi-autoregressive decoding, often suffer from static behavior, leading to suboptimal efficiency and limited flexibility. In this paper, we propose SlowFast Sampling, a novel dynamic sampling strategy that adaptively alternates between exploratory and accelerated decoding stages. Our method is guided by three golden principles: certainty principle, convergence principle, and positional principle, which govern when and where tokens can be confidently and efficiently decoded. We further integrate our strategy with dLLM-Cache to reduce redundant computation. Extensive experiments across benchmarks and models show that SlowFast Sampling achieves up to 15.63$\times$ speedup on LLaDA with minimal accuracy drop, and up to 34.22$\times$ when combined with caching. Notably, our approach outperforms strong autoregressive baselines like LLaMA3 8B in throughput, demonstrating that well-designed sampling can unlock the full potential of dLLMs for fast and high-quality generation.
comment: 11 pages; 5 figures;
♻ ☆ AtlasD: Automatic Local Symmetry Discovery
Existing symmetry discovery methods predominantly focus on global transformations across the entire system or space, but they fail to consider the symmetries in local neighborhoods. This may result in the reported symmetry group being a misrepresentation of the true symmetry. In this paper, we formalize the notion of local symmetry as atlas equivariance. Our proposed pipeline, automatic local symmetry discovery (AtlasD), recovers the local symmetries of a function by training local predictor networks and then learning a Lie group basis to which the predictors are equivariant. We demonstrate AtlasD is capable of discovering local symmetry groups with multiple connected components in top-quark tagging and partial differential equation experiments. The discovered local symmetry is shown to be a useful inductive bias that improves the performance of downstream tasks in climate segmentation and vision tasks.
♻ ☆ PLeak: Prompt Leaking Attacks against Large Language Model Applications
Large Language Models (LLMs) enable a new ecosystem with many downstream applications, called LLM applications, with different natural language processing tasks. The functionality and performance of an LLM application highly depend on its system prompt, which instructs the backend LLM on what task to perform. Therefore, an LLM application developer often keeps a system prompt confidential to protect its intellectual property. As a result, a natural attack, called prompt leaking, is to steal the system prompt from an LLM application, which compromises the developer's intellectual property. Existing prompt leaking attacks primarily rely on manually crafted queries, and thus achieve limited effectiveness. In this paper, we design a novel, closed-box prompt leaking attack framework, called PLeak, to optimize an adversarial query such that when the attacker sends it to a target LLM application, its response reveals its own system prompt. We formulate finding such an adversarial query as an optimization problem and solve it with a gradient-based method approximately. Our key idea is to break down the optimization goal by optimizing adversary queries for system prompts incrementally, i.e., starting from the first few tokens of each system prompt step by step until the entire length of the system prompt. We evaluate PLeak in both offline settings and for real-world LLM applications, e.g., those on Poe, a popular platform hosting such applications. Our results show that PLeak can effectively leak system prompts and significantly outperforms not only baselines that manually curate queries but also baselines with optimized queries that are modified and adapted from existing jailbreaking attacks. We responsibly reported the issues to Poe and are still waiting for their response. Our implementation is available at this repository: https://github.com/BHui97/PLeak.
comment: To appear in the Proceedings of The ACM Conference on Computer and Communications Security (CCS), 2024
♻ ☆ Dynamic Policy Fusion for User Alignment Without Re-Interaction
Deep reinforcement learning (RL) policies, although optimal in terms of task rewards, may not align with the personal preferences of human users. To ensure this alignment, a naive solution would be to retrain the agent using a reward function that encodes the user's specific preferences. However, such a reward function is typically not readily available, and as such, retraining the agent from scratch can be prohibitively expensive. We propose a more practical approach - to adapt the already trained policy to user-specific needs with the help of human feedback. To this end, we infer the user's intent through trajectory-level feedback and combine it with the trained task policy via a theoretically grounded dynamic policy fusion approach. As our approach collects human feedback on the very same trajectories used to learn the task policy, it does not require any additional interactions with the environment, making it a zero-shot approach. We empirically demonstrate in a number of environments that our proposed dynamic policy fusion approach consistently achieves the intended task while simultaneously adhering to user-specific needs.
♻ ☆ Physics-Informed Latent Neural Operator for Real-time Predictions of Complex Physical Systems
Deep operator network (DeepONet) has shown significant promise as surrogate models for systems governed by partial differential equations (PDEs), enabling accurate mappings between infinite-dimensional function spaces. However, for complex, high-dimensional systems, these models often require heavily overparameterized networks, leading to long training times and convergence difficulties. Latent DeepONet addresses some of these challenges by introducing a two-step approach: first learning a reduced latent space using a separate model, followed by operator learning within this latent space. While efficient, this method is inherently data-driven and lacks mechanisms for incorporating physical laws, limiting its robustness and generalizability in data-scarce settings. In this work, we propose PI-Latent-NO, a physics-informed latent neural operator framework that integrates governing physics directly into the learning process. Our architecture features two coupled DeepONets trained end-to-end: a Latent-DeepONet that learns a low-dimensional representation of the solution, and a Reconstruction-DeepONet that maps this latent representation back to the physical space. By embedding PDE constraints into the training via automatic differentiation, our method eliminates the need for labeled training data and ensures physics-consistent predictions. The proposed framework is both memory and compute-efficient, exhibiting near-constant scaling with problem size and demonstrating significant speedups over traditional physics-informed operator models. We validate our approach on a range of high-dimensional parametric PDEs, showcasing its accuracy, scalability, and suitability for real-time prediction in complex physical systems.
♻ ☆ Disentangling the Complex Multiplexed DIA Spectra in De Novo Peptide Sequencing
Data-Independent Acquisition (DIA) was introduced to improve sensitivity to cover all peptides in a range rather than only sampling high-intensity peaks as in Data-Dependent Acquisition (DDA) mass spectrometry. However, it is not very clear how useful DIA data is for de novo peptide sequencing as the DIA data are marred with coeluted peptides, high noises, and varying data quality. We present a new deep learning method DIANovo, and address each of these difficulties, and improves the previous established system DeepNovo-DIA by from 34% to 108%, averaging 50%, for amino acid recall, and by from 32% to 83%, averaging 57%, for peptide recall, by equipping the model with a deeper understanding of coeluted DIA spectra. This paper also provides criteria about when DIA data could be used for de novo peptide sequencing and when not to by providing a comparison between DDA and DIA, in both de novo and database search mode. We find that while DIA excels with narrow isolation windows on older-generation instruments, it loses its advantage with wider windows. However, with Orbitrap Astral, DIA consistently outperforms DDA due to narrow window mode enabled. We also provide a theoretical explanation of this phenomenon, emphasizing the critical role of the signal-to-noise profile in the successful application of de novo sequencing.
♻ ☆ Tensor-Var: Efficient Four-Dimensional Variational Data Assimilation
Variational data assimilation estimates the dynamical system states by minimizing a cost function that fits the numerical models with the observational data. Although four-dimensional variational assimilation (4D-Var) is widely used, it faces high computational costs in complex nonlinear systems and depends on imperfect state-observation mappings. Deep learning (DL) offers more expressive approximators, while integrating DL models into 4D-Var is challenging due to their nonlinearities and lack of theoretical guarantees in assimilation results. In this paper, we propose Tensor-Var, a novel framework that integrates kernel conditional mean embedding (CME) with 4D-Var to linearize nonlinear dynamics, achieving convex optimization in a learned feature space. Moreover, our method provides a new perspective for solving 4D-Var in a linear way, offering theoretical guarantees of consistent assimilation results between the original and feature spaces. To handle large-scale problems, we propose a method to learn deep features using neural networks within the Tensor-Var framework. Experiments on chaotic systems and global weather prediction with real-time observations show that Tensor-Var outperforms conventional and DL hybrid 4D-Var baselines in accuracy while achieving a 10- to 20-fold speed improvement.
♻ ☆ Self-supervised training of deep denoisers in multi-coil MRI considering noise correlations
Deep learning-based denoising methods have shown powerful results for improving the signal-to-noise ratio of magnetic resonance (MR) images, mostly by leveraging supervised learning with clean ground truth. However, acquiring clean ground truth images is often expensive and time-consuming. Self supervised methods have been widely investigated to mitigate the dependency on clean images, but mostly rely on the suboptimal splitting of K-space measurements of an image to yield input and target images for ensuring statistical independence. In this study, we investigate an alternative self-supervised training method for deep denoisers in multi-coil MRI, dubbed Coil2Coil (C2C), that naturally split and combine the multi-coil data among phased array coils, generating two noise-corrupted images for training. This novel approach allows exploiting multi-coil redundancy, but the images are statistically correlated and may not have the same clean image. To mitigate these issues, we propose the methods to pproximately decorrelate the statistical dependence of these images and match the underlying clean images, thus enabling them to be used as the training pairs. For synthetic denoising experiments, C2C yielded the best performance against prior self-supervised methods, reporting outcome comparable even to supervised methods. For real-world denoising cases, C2C yielded consistent performance as synthetic cases, removing only noise structures.
comment: 9 pages, 5figures
Genomics 4
☆ Viral Dark Matter: Illuminating Protein Function, Ecology, and Biotechnological Promises
Viruses are the most abundant biological entities on Earth and play central roles in shaping microbiomes and influencing ecosystem functions. Yet, most viral genes remain uncharacterized, comprising what is commonly referred to as "viral dark matter." Metagenomic studies across diverse environments consistently show that 40-90% of viral genes lack known homologs or annotated functions. This persistent knowledge gap limits our ability to interpret viral sequence data, understand virus-host interactions, and assess the ecological or applied significance of viral genes. Among the most intriguing components of viral dark matter are auxiliary viral genes (AVGs), including auxiliary metabolic genes (AMGs), regulatory genes (AReGs), and host physiology-modifying genes (APGs), which may alter host function during infection and contribute to microbial metabolism, stress tolerance, or resistance. In this review, we explore recent advances in the discovery and functional characterization of viral dark matter. We highlight representative examples of novel viral proteins across diverse ecosystems including human microbiomes, soil, oceans, and extreme environments, and discuss what is known, and still unknown, about their roles. We then examine the bioinformatic and experimental challenges that hinder functional characterization, and present emerging strategies to overcome these barriers. Finally, we highlight both the fundamental and applied benefits that multidisciplinary efforts to characterize viral proteins can bring. By integrating computational predictions with experimental validation, and fostering collaboration across disciplines, we emphasize that illuminating viral dark matter is both feasible and essential for advancing microbial ecology and unlocking new tools for biotechnology.
☆ GlobDB: A comprehensive species-dereplicated microbial genome resource
Over the past years, substantial numbers of microbial species' genomes have been deposited outside of conventional INSDC databases. The GlobDB aggregates 14 independent genomic catalogues to provide a comprehensive database of species-dereplicated microbial genomes, with consistent taxonomy, annotations, and additional analysis resources. The GlobDB is available at https://globdb.org/.
comment: 11 pages (including references), 1 table, 0 figures
☆ SemanticST: Spatially Informed Semantic Graph Learning for1 Clustering, Integration, and Scalable Analysis of Spatial2 Transcriptomics
Spatial transcriptomics (ST) technologies enable gene expression profiling with spatial resolution, offering unprecedented insights into tissue organization and disease heterogeneity. However, current analysis methods often struggle with noisy data, limited scalability, and inadequate modelling of complex cellular relationships. We present SemanticST, a biologically informed, graph-based deep learning framework that models diverse cellular contexts through multi-semantic graph construction. SemanticST builds multiple context-specific graphs capturing spatial proximity, gene expression similarity, and tissue domain structure, and learns disentangled embeddings for each. These are fused using an attention-inspired strategy to yield a unified, biologically meaningful representation. A community-aware min-cut loss improves robustness over contrastive learning, particularly in sparse ST data. SemanticST supports mini-batch training, making it the first graph neural network scalable to large-scale datasets such as Xenium (500,000 cells). Benchmarking across four platforms (Visium, Slide-seq, Stereo-seq, Xenium) and multiple human and mouse tissues shows consistent 20 percentage gains in ARI, NMI, and trajectory fidelity over DeepST, GraphST, and IRIS. In re-analysis of breast cancer Xenium data, SemanticST revealed rare and clinically significant niches, including triple receptor-positive clusters, spatially distinct DCIS-to-IDC transition zones, and FOXC2 tumour-associated myoepithelial cells, suggesting non-canonical EMT programs with stem-like features. SemanticST thus provides a scalable, interpretable, and biologically grounded framework for spatial transcriptomics analysis, enabling robust discovery across tissue types and diseases, and paving the way for spatially resolved tissue atlases and next-generation precision medicine.
comment: 6 Figures
♻ ☆ S3Mirror: Making Genomic Data Transfers Fast, Reliable, and Observable with DBOS
To meet the needs of a large pharmaceutical organization, we set out to create S3Mirror - an application for transferring large genomic sequencing datasets between S3 buckets quickly, reliably, and observably. We used the DBOS Transact durable execution framework to achieve these goals and benchmarked the performance and cost of the application. S3Mirror is an open source DBOS Python application that can run in a variety of environments, including DBOS Cloud Pro, where it runs as much as 40x faster than AWS DataSync at a fraction of the cost. Moreover, S3Mirror is resilient to failures and allows for real-time filewise observability of ongoing and past transfers.
Quantitative Methods 9
☆ Viral Dark Matter: Illuminating Protein Function, Ecology, and Biotechnological Promises
Viruses are the most abundant biological entities on Earth and play central roles in shaping microbiomes and influencing ecosystem functions. Yet, most viral genes remain uncharacterized, comprising what is commonly referred to as "viral dark matter." Metagenomic studies across diverse environments consistently show that 40-90% of viral genes lack known homologs or annotated functions. This persistent knowledge gap limits our ability to interpret viral sequence data, understand virus-host interactions, and assess the ecological or applied significance of viral genes. Among the most intriguing components of viral dark matter are auxiliary viral genes (AVGs), including auxiliary metabolic genes (AMGs), regulatory genes (AReGs), and host physiology-modifying genes (APGs), which may alter host function during infection and contribute to microbial metabolism, stress tolerance, or resistance. In this review, we explore recent advances in the discovery and functional characterization of viral dark matter. We highlight representative examples of novel viral proteins across diverse ecosystems including human microbiomes, soil, oceans, and extreme environments, and discuss what is known, and still unknown, about their roles. We then examine the bioinformatic and experimental challenges that hinder functional characterization, and present emerging strategies to overcome these barriers. Finally, we highlight both the fundamental and applied benefits that multidisciplinary efforts to characterize viral proteins can bring. By integrating computational predictions with experimental validation, and fostering collaboration across disciplines, we emphasize that illuminating viral dark matter is both feasible and essential for advancing microbial ecology and unlocking new tools for biotechnology.
☆ On the performance of multi-fidelity and reduced-dimensional neural emulators for inference of physiologic boundary conditions
Solving inverse problems in cardiovascular modeling is particularly challenging due to the high computational cost of running high-fidelity simulations. In this work, we focus on Bayesian parameter estimation and explore different methods to reduce the computational cost of sampling from the posterior distribution by leveraging low-fidelity approximations. A common approach is to construct a surrogate model for the high-fidelity simulation itself. Another is to build a surrogate for the discrepancy between high- and low-fidelity models. This discrepancy, which is often easier to approximate, is modeled with either a fully connected neural network or a nonlinear dimensionality reduction technique that enables surrogate construction in a lower-dimensional space. A third possible approach is to treat the discrepancy between the high-fidelity and surrogate models as random noise and estimate its distribution using normalizing flows. This allows us to incorporate the approximation error into the Bayesian inverse problem by modifying the likelihood function. We validate five different methods which are variations of the above on analytical test cases by comparing them to posterior distributions derived solely from high-fidelity models, assessing both accuracy and computational cost. Finally, we demonstrate our approaches on two cardiovascular examples of increasing complexity: a lumped-parameter Windkessel model and a patient-specific three-dimensional anatomy.
☆ Evaluation of machine-learning models to measure individualized treatment effects from randomized clinical trial data with time-to-event outcomes
In randomized clinical trials, regression models can be used to explore the relationships between patients' variables (e.g., clinical, pathological or lifestyle variables, and also biomarker or genomics data) and the magnitude of treatment effect. Our aim is to evaluate the value of flexible machine learning models that can incorporate interactions and nonlinear effects of high-dimensional data to estimate individualized treatment recommendations in the setting of such trials with time-to-event outcomes. We compare survival models based on neural networks (CoxCC and CoxTime) and random survival forests (Interaction Forests). A Cox model, including an adaptive LASSO penalty, is used as a benchmark. Specific metrics for individualized treatment recommendations are used: the C-for-Benefit, the E50-for-Benefit, and RMSE for treatment benefit. We conduct an extensive simulation study using 2 different data generation processes incorporating nonlinearity and interactions up to the third order. The models are applied to gene expression and clinical data from 2 breast cancer studies. The machine learning-based methods show reasonable performances on the simulation data sets, especially in terms of discrimination for Interaction Forests and calibration for the neural networks. They can be used to evaluate individualized treatment effects from randomized trials when nonlinear and interaction effects are expected to be present.
comment: 19 pages, 6 figures
☆ Nucleation feedback can drive establishment and maintenance of biased microtubule polarity in neurites
The microtubule cytoskeleton is comprised of dynamic, polarized filaments that facilitate transport within the cell. Polarized microtubule arrays are key to facilitating cargo transport in long cells such as neurons. Microtubules also undergo dynamic instability, where the plus and minus ends of the filaments switch between growth and shrinking phases, leading to frequent microtubule turnover. Although microtubules often completely disassemble and new filaments nucleate, microtubule arrays have been observed to both maintain their biased orientation throughout the cell lifetime and to rearrange their polarity as an adaptive response to injury. Motivated by cytoskeleton organization in neurites, we propose a spatially-explicit stochastic model of microtubule arrays and investigate how nucleation of new filaments could generate biased polarity in a simple linear domain. Using a continuous-time Markov chain model of microtubule growth dynamics, we model and parameterize two experimentally-validated nucleation mechanisms: nucleation feedback, where the direction of filament growth depends on existing microtubule content, and a checkpoint mechanism, where microtubules that nucleate in a direction opposite to the majority experience frequent catastrophe. When incorporating these validated mechanisms into the spatial model, we find that nucleation feedback is sufficient to establish biased polarity in neurites of different lengths, and that the emergence and maintenance of biased polarity is robust in spite of stochastic fluctuations. This work provides a framework to study the relationship between microtubule nucleation and polarity, and could extend to give insights into mechanisms that drive the formation of polarized filament arrays in other biological settings.
comment: 36 pages, 10 figures
☆ A simplified and robust proxy-based approach for overcoming unmeasured confounding in EHR studies
Electronic health records (EHR) are used to study treatment effects in clinical settings, yet unmeasured confounding remains a persistent challenge. Indirect measurements of the unmeasured confounder (proxies) offer a potential solution, but existing approaches -- such as proximal inference or full joint modeling -- can be difficult to implement. We propose a two-stage, proxy-based method that is practical, broadly applicable, and robust. In the first stage, we apply factor analysis to proxy and treatment variables, extracting information on latent factors that serve as a surrogate for the unmeasured confounder. In the second stage, we use this model to build covariates that improve causal effect estimation in a standard outcome regression model. Through simulations, we test the method's performance under assumption violations, including non-normal errors, model misspecification, and scenarios where instruments or confounders are incorrectly treated as proxies. We also apply the method to estimate the effect of hospital admission for older adults presenting to the emergency department with chest pain, a setting where standard analyses may fail to recover plausible effects. Our results show that this simplified strategy recovers more reliable estimates than conventional adjustment methods, offering applied researchers a practical tool for addressing unmeasured confounding with proxy variables.
♻ ☆ Parameter estimation in ODEs: assessing the potential of local and global solvers
We consider the problem of parameter estimation in dynamic systems described by ordinary differential equations. A review of the existing literature emphasizes the need for deterministic global optimization methods due to the nonconvex nature of these problems. Recent works have focused on expanding the capabilities of specialized deterministic global optimization algorithms to handle more complex problems. Despite advancements, current deterministic methods are limited to problems with a maximum of around five state and five decision variables, prompting ongoing efforts to enhance their applicability to practical problems. Our study seeks to assess the effectiveness of state-of-the-art general-purpose global and local solvers in handling realistic-sized problems efficiently, and evaluating their capabilities to cope with the nonconvex nature of the underlying estimation problems.
♻ ☆ DeepGDel: Deep Learning-based Gene Deletion Prediction Framework for Growth-Coupled Production in Genome-Scale Metabolic Models
In genome-scale constraint-based metabolic models, gene deletion strategies are crucial for achieving growth-coupled production, where cell growth and target metabolite production are simultaneously achieved. While computational methods for calculating gene deletions have been widely explored and contribute to developing gene deletion strategy databases, current approaches are limited in leveraging new data-driven paradigms, such as machine learning, for more efficient strain design. Therefore, it is necessary to propose a fundamental framework for this objective. In this study, we first formulate the problem of gene deletion strategy prediction and then propose a framework for predicting gene deletion strategies for growth-coupled production in genome-scale metabolic models. The proposed framework leverages deep learning algorithms to learn and integrate sequential gene and metabolite data representation, enabling the automatic gene deletion strategy prediction. Computational experiment results demonstrate the feasibility of the proposed framework, showing substantial improvements over baseline methods. Specifically, the proposed framework achieves a 14.69%, 22.52%, and 13.03% increase in overall accuracy across three metabolic models of different scales under study, while maintaining balanced precision and recall in predicting gene deletion statuses. The source code and examples for the framework are publicly available at https://github.com/MetNetComp/DeepGDel.
♻ ☆ Chemical Language Model Linker: blending text and molecules with modular adapters
The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening to find molecules with desired properties to directly generating those molecules. However, multi-modal models combining text and molecules are often trained from scratch, without leveraging existing high-quality pretrained models. Training from scratch consumes more computational resources and prohibits model scaling. In contrast, we propose a lightweight adapter-based strategy named Chemical Language Model Linker (ChemLML). ChemLML blends the two single domain models and obtains conditional molecular generation from text descriptions while still operating in the specialized embedding spaces of the molecular domain. ChemLML can tailor diverse pretrained text models for molecule generation by training relatively few adapter parameters. We find that the choice of molecular representation used within ChemLML, SMILES versus SELFIES, has a strong influence on conditional molecular generation performance. SMILES is often preferable despite not guaranteeing valid molecules. We raise issues in using the entire PubChem dataset of molecules and their associated descriptions for evaluating molecule generation and provide a filtered version of the dataset as a generation test set. To demonstrate how ChemLML could be used in practice, we generate candidate protein inhibitors and use docking to assess their quality and also generate candidate membrane permeable molecules.
comment: 63 pages, 13 figures
♻ ☆ A Macroscopically Consistent Reactive Langevin Dynamics Model
Particle-based stochastic reaction-diffusion (PBSRD) models are a popular approach for capturing stochasticity in reaction and transport processes across biological systems. In some contexts, the overdamped approximation inherent in such models may be inappropriate, necessitating the use of more microscopic Langevin Dynamics models for spatial transport. In this work we develop a novel particle-based Reactive Langevin Dynamics (RLD) model, with a focus on deriving reactive interaction kernels that are consistent with the physical constraint of detailed balance of reactive fluxes at equilibrium. We demonstrate that, to leading order, the overdamped limit of the resulting RLD model corresponds to the volume reactivity PBSRD model, of which the well-known Doi model is a particular instance. Our work provides a step towards systematically deriving PBSRD models from more microscopic reaction models, and suggests possible constraints on the latter to ensure consistency between the two physical scales.
comment: 26 pages, one figure
Computation and Language 100
☆ How Well Can Reasoning Models Identify and Recover from Unhelpful Thoughts?
Recent reasoning models show the ability to reflect, backtrack, and self-validate their reasoning, which is crucial in spotting mistakes and arriving at accurate solutions. A natural question that arises is how effectively models can perform such self-reevaluation. We tackle this question by investigating how well reasoning models identify and recover from four types of unhelpful thoughts: uninformative rambling thoughts, thoughts irrelevant to the question, thoughts misdirecting the question as a slightly different question, and thoughts that lead to incorrect answers. We show that models are effective at identifying most unhelpful thoughts but struggle to recover from the same thoughts when these are injected into their thinking process, causing significant performance drops. Models tend to naively continue the line of reasoning of the injected irrelevant thoughts, which showcases that their self-reevaluation abilities are far from a general "meta-cognitive" awareness. Moreover, we observe non/inverse-scaling trends, where larger models struggle more than smaller ones to recover from short irrelevant thoughts, even when instructed to reevaluate their reasoning. We demonstrate the implications of these findings with a jailbreak experiment using irrelevant thought injection, showing that the smallest models are the least distracted by harmful-response-triggering thoughts. Overall, our findings call for improvement in self-reevaluation of reasoning models to develop better reasoning and safer systems.
☆ AutoMind: Adaptive Knowledgeable Agent for Automated Data Science
Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.
comment: Ongoing work. Code is at https://github.com/innovatingAI/AutoMind
☆ MMMG: A Massive, Multidisciplinary, Multi-Tier Generation Benchmark for Text-to-Image Reasoning
In this paper, we introduce knowledge image generation as a new task, alongside the Massive Multi-Discipline Multi-Tier Knowledge-Image Generation Benchmark (MMMG) to probe the reasoning capability of image generation models. Knowledge images have been central to human civilization and to the mechanisms of human learning--a fact underscored by dual-coding theory and the picture-superiority effect. Generating such images is challenging, demanding multimodal reasoning that fuses world knowledge with pixel-level grounding into clear explanatory visuals. To enable comprehensive evaluation, MMMG offers 4,456 expert-validated (knowledge) image-prompt pairs spanning 10 disciplines, 6 educational levels, and diverse knowledge formats such as charts, diagrams, and mind maps. To eliminate confounding complexity during evaluation, we adopt a unified Knowledge Graph (KG) representation. Each KG explicitly delineates a target image's core entities and their dependencies. We further introduce MMMG-Score to evaluate generated knowledge images. This metric combines factual fidelity, measured by graph-edit distance between KGs, with visual clarity assessment. Comprehensive evaluations of 16 state-of-the-art text-to-image generation models expose serious reasoning deficits--low entity fidelity, weak relations, and clutter--with GPT-4o achieving an MMMG-Score of only 50.20, underscoring the benchmark's difficulty. To spur further progress, we release FLUX-Reason (MMMG-Score of 34.45), an effective and open baseline that combines a reasoning LLM with diffusion models and is trained on 16,000 curated knowledge image-prompt pairs.
☆ ChineseHarm-Bench: A Chinese Harmful Content Detection Benchmark
Large language models (LLMs) have been increasingly applied to automated harmful content detection tasks, assisting moderators in identifying policy violations and improving the overall efficiency and accuracy of content review. However, existing resources for harmful content detection are predominantly focused on English, with Chinese datasets remaining scarce and often limited in scope. We present a comprehensive, professionally annotated benchmark for Chinese content harm detection, which covers six representative categories and is constructed entirely from real-world data. Our annotation process further yields a knowledge rule base that provides explicit expert knowledge to assist LLMs in Chinese harmful content detection. In addition, we propose a knowledge-augmented baseline that integrates both human-annotated knowledge rules and implicit knowledge from large language models, enabling smaller models to achieve performance comparable to state-of-the-art LLMs. Code and data are available at https://github.com/zjunlp/ChineseHarm-bench.
comment: Work in progress
☆ Build the web for agents, not agents for the web
Recent advancements in Large Language Models (LLMs) and multimodal counterparts have spurred significant interest in developing web agents -- AI systems capable of autonomously navigating and completing tasks within web environments. While holding tremendous promise for automating complex web interactions, current approaches face substantial challenges due to the fundamental mismatch between human-designed interfaces and LLM capabilities. Current methods struggle with the inherent complexity of web inputs, whether processing massive DOM trees, relying on screenshots augmented with additional information, or bypassing the user interface entirely through API interactions. This position paper advocates for a paradigm shift in web agent research: rather than forcing web agents to adapt to interfaces designed for humans, we should develop a new interaction paradigm specifically optimized for agentic capabilities. To this end, we introduce the concept of an Agentic Web Interface (AWI), an interface specifically designed for agents to navigate a website. We establish six guiding principles for AWI design, emphasizing safety, efficiency, and standardization, to account for the interests of all primary stakeholders. This reframing aims to overcome fundamental limitations of existing interfaces, paving the way for more efficient, reliable, and transparent web agent design, which will be a collaborative effort involving the broader ML community.
☆ Domain2Vec: Vectorizing Datasets to Find the Optimal Data Mixture without Training ICML2025
We introduce~\textsc{Domain2Vec}, a novel approach that decomposes any dataset into a linear combination of several \emph{meta-domains}, a new concept designed to capture the key underlying features of datasets. \textsc{Domain2Vec} maintains a vocabulary of meta-domains and uses a classifier to decompose any given dataset into a domain vector that corresponds to a distribution over this vocabulary. These domain vectors enable the identification of the optimal data mixture for language model (LM) pretraining in a training-free manner under the \emph{\textbf{D}istribution \textbf{A}lignment \textbf{A}ssumption} (DA$^{2}$), which suggests that when the data distributions of the training set and the validation set are better aligned, a lower validation loss is achieved. Moreover, \textsc{Domain2vec} can be seamlessly integrated into previous works to model the relationship between domain vectors and LM performance, greatly enhancing the efficiency and scalability of previous methods. Extensive experiments demonstrate that \textsc{Domain2Vec} helps find the data mixture that enhances downstream task performance with minimal computational overhead. Specifically, \textsc{Domain2Vec} achieves the same validation loss on Pile-CC using only $51.5\%$ of the computation required when training on the original mixture of The Pile dataset. Under equivalent compute budget, \textsc{Domain2Vec} improves downstream performance by an average of $2.83\%$.
comment: Accepted to ICML2025
☆ GUARD: Guided Unlearning and Retention via Data Attribution for Large Language Models
Unlearning in large language models (LLMs) is becoming increasingly important due to regulatory compliance, copyright protection, and privacy concerns. However, a key challenge in LLM unlearning is unintended forgetting, where the removal of specific data inadvertently impairs the utility of the model and its retention of valuable, desired information. While prior work has primarily focused on architectural innovations, the influence of data-level factors on unlearning performance remains underexplored. As a result, existing methods often suffer from degraded retention when forgetting high-impact data. To address this, we propose GUARD-a novel framework for Guided Unlearning And Retention via Data attribution. At its core, GUARD introduces a lightweight proxy data attribution metric tailored for LLM unlearning, which quantifies the "alignment" between the forget and retain sets while remaining computationally efficient. Building on this, we design a novel unlearning objective that assigns adaptive, nonuniform unlearning weights to samples, inversely proportional to their proxy attribution scores. Through such a reallocation of unlearning power, GUARD mitigates unintended losses in retention. We provide rigorous theoretical guarantees that GUARD significantly enhances retention while maintaining forgetting metrics comparable to prior methods. Extensive experiments on the TOFU benchmark across multiple LLM architectures demonstrate that GUARD substantially improves utility preservation while ensuring effective unlearning. Notably, GUARD reduces utility sacrifice on the Retain Set by up to 194.92% in terms of Truth Ratio when forgetting 10% of the training data.
☆ VINCIE: Unlocking In-context Image Editing from Video
In-context image editing aims to modify images based on a contextual sequence comprising text and previously generated images. Existing methods typically depend on task-specific pipelines and expert models (e.g., segmentation and inpainting) to curate training data. In this work, we explore whether an in-context image editing model can be learned directly from videos. We introduce a scalable approach to annotate videos as interleaved multimodal sequences. To effectively learn from this data, we design a block-causal diffusion transformer trained on three proxy tasks: next-image prediction, current segmentation prediction, and next-segmentation prediction. Additionally, we propose a novel multi-turn image editing benchmark to advance research in this area. Extensive experiments demonstrate that our model exhibits strong in-context image editing capabilities and achieves state-of-the-art results on two multi-turn image editing benchmarks. Despite being trained exclusively on videos, our model also shows promising abilities in multi-concept composition, story generation, and chain-of-editing applications.
comment: Project page: https://vincie2025.github.io/
☆ Dynamic Epistemic Friction in Dialogue
Recent developments in aligning Large Language Models (LLMs) with human preferences have significantly enhanced their utility in human-AI collaborative scenarios. However, such approaches often neglect the critical role of "epistemic friction," or the inherent resistance encountered when updating beliefs in response to new, conflicting, or ambiguous information. In this paper, we define dynamic epistemic friction as the resistance to epistemic integration, characterized by the misalignment between an agent's current belief state and new propositions supported by external evidence. We position this within the framework of Dynamic Epistemic Logic (Van Benthem and Pacuit, 2011), where friction emerges as nontrivial belief-revision during the interaction. We then present analyses from a situated collaborative task that demonstrate how this model of epistemic friction can effectively predict belief updates in dialogues, and we subsequently discuss how the model of belief alignment as a measure of epistemic resistance or friction can naturally be made more sophisticated to accommodate the complexities of real-world dialogue scenarios.
comment: 11 pages, 2 figures, 2 tables, CoNLL 2025
☆ Robustly Improving LLM Fairness in Realistic Settings via Interpretability
Large language models (LLMs) are increasingly deployed in high-stakes hiring applications, making decisions that directly impact people's careers and livelihoods. While prior studies suggest simple anti-bias prompts can eliminate demographic biases in controlled evaluations, we find these mitigations fail when realistic contextual details are introduced. We address these failures through internal bias mitigation: by identifying and neutralizing sensitive attribute directions within model activations, we achieve robust bias reduction across all tested scenarios. Across leading commercial (GPT-4o, Claude 4 Sonnet, Gemini 2.5 Flash) and open-source models (Gemma-2 27B, Gemma-3, Mistral-24B), we find that adding realistic context such as company names, culture descriptions from public careers pages, and selective hiring constraints (e.g.,``only accept candidates in the top 10\%") induces significant racial and gender biases (up to 12\% differences in interview rates). When these biases emerge, they consistently favor Black over White candidates and female over male candidates across all tested models and scenarios. Moreover, models can infer demographics and become biased from subtle cues like college affiliations, with these biases remaining invisible even when inspecting the model's chain-of-thought reasoning. To address these limitations, our internal bias mitigation identifies race and gender-correlated directions and applies affine concept editing at inference time. Despite using directions from a simple synthetic dataset, the intervention generalizes robustly, consistently reducing bias to very low levels (typically under 1\%, always below 2.5\%) while largely maintaining model performance. Our findings suggest that practitioners deploying LLMs for hiring should adopt more realistic evaluation methodologies and consider internal mitigation strategies for equitable outcomes.
☆ Decomposing MLP Activations into Interpretable Features via Semi-Nonnegative Matrix Factorization
A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.
☆ Breaking Bad Molecules: Are MLLMs Ready for Structure-Level Molecular Detoxification?
Toxicity remains a leading cause of early-stage drug development failure. Despite advances in molecular design and property prediction, the task of molecular toxicity repair - generating structurally valid molecular alternatives with reduced toxicity - has not yet been systematically defined or benchmarked. To fill this gap, we introduce ToxiMol, the first benchmark task for general-purpose Multimodal Large Language Models (MLLMs) focused on molecular toxicity repair. We construct a standardized dataset covering 11 primary tasks and 560 representative toxic molecules spanning diverse mechanisms and granularities. We design a prompt annotation pipeline with mechanism-aware and task-adaptive capabilities, informed by expert toxicological knowledge. In parallel, we propose an automated evaluation framework, ToxiEval, which integrates toxicity endpoint prediction, synthetic accessibility, drug-likeness, and structural similarity into a high-throughput evaluation chain for repair success. We systematically assess nearly 30 mainstream general-purpose MLLMs and design multiple ablation studies to analyze key factors such as evaluation criteria, candidate diversity, and failure attribution. Experimental results show that although current MLLMs still face significant challenges on this task, they begin to demonstrate promising capabilities in toxicity understanding, semantic constraint adherence, and structure-aware molecule editing.
☆ Magistral
We introduce Magistral, Mistral's first reasoning model and our own scalable reinforcement learning (RL) pipeline. Instead of relying on existing implementations and RL traces distilled from prior models, we follow a ground up approach, relying solely on our own models and infrastructure. Notably, we demonstrate a stack that enabled us to explore the limits of pure RL training of LLMs, present a simple method to force the reasoning language of the model, and show that RL on text data alone maintains most of the initial checkpoint's capabilities. We find that RL on text maintains or improves multimodal understanding, instruction following and function calling. We present Magistral Medium, trained for reasoning on top of Mistral Medium 3 with RL alone, and we open-source Magistral Small (Apache 2.0) which further includes cold-start data from Magistral Medium.
☆ Beyond Gold Standards: Epistemic Ensemble of LLM Judges for Formal Mathematical Reasoning
Autoformalization plays a crucial role in formal mathematical reasoning by enabling the automatic translation of natural language statements into formal languages. While recent advances using large language models (LLMs) have shown promising results, methods for automatically evaluating autoformalization remain underexplored. As one moves to more complex domains (e.g., advanced mathematics), human evaluation requires significant time and domain expertise, especially as the complexity of the underlying statements and background knowledge increases. LLM-as-a-judge presents a promising approach for automating such evaluation. However, existing methods typically employ coarse-grained and generic evaluation criteria, which limit their effectiveness for advanced formal mathematical reasoning, where quality hinges on nuanced, multi-granular dimensions. In this work, we take a step toward addressing this gap by introducing a systematic, automatic method to evaluate autoformalization tasks. The proposed method is based on an epistemically and formally grounded ensemble (EFG) of LLM judges, defined on criteria encompassing logical preservation (LP), mathematical consistency (MC), formal validity (FV), and formal quality (FQ), resulting in a transparent assessment that accounts for different contributing factors. We validate the proposed framework to serve as a proxy for autoformalization assessment within the domain of formal mathematics. Overall, our experiments demonstrate that the EFG ensemble of LLM judges is a suitable emerging proxy for evaluation, more strongly correlating with human assessments than a coarse-grained model, especially when assessing formal qualities. These findings suggest that LLM-as-judges, especially when guided by a well-defined set of atomic properties, could offer a scalable, interpretable, and reliable support for evaluating formal mathematical reasoning.
☆ BioClinical ModernBERT: A State-of-the-Art Long-Context Encoder for Biomedical and Clinical NLP
Encoder-based transformer models are central to biomedical and clinical Natural Language Processing (NLP), as their bidirectional self-attention makes them well-suited for efficiently extracting structured information from unstructured text through discriminative tasks. However, encoders have seen slower development compared to decoder models, leading to limited domain adaptation in biomedical and clinical settings. We introduce BioClinical ModernBERT, a domain-adapted encoder that builds on the recent ModernBERT release, incorporating long-context processing and substantial improvements in speed and performance for biomedical and clinical NLP. BioClinical ModernBERT is developed through continued pretraining on the largest biomedical and clinical corpus to date, with over 53.5 billion tokens, and addresses a key limitation of prior clinical encoders by leveraging 20 datasets from diverse institutions, domains, and geographic regions, rather than relying on data from a single source. It outperforms existing biomedical and clinical encoders on four downstream tasks spanning a broad range of use cases. We release both base (150M parameters) and large (396M parameters) versions of BioClinical ModernBERT, along with training checkpoints to support further research.
☆ The Diffusion Duality ICML 2025
Uniform-state discrete diffusion models hold the promise of fast text generation due to their inherent ability to self-correct. However, they are typically outperformed by autoregressive models and masked diffusion models. In this work, we narrow this performance gap by leveraging a key insight: Uniform-state diffusion processes naturally emerge from an underlying Gaussian diffusion. Our method, Duo, transfers powerful techniques from Gaussian diffusion to improve both training and sampling. First, we introduce a curriculum learning strategy guided by the Gaussian process, doubling training speed by reducing variance. Models trained with curriculum learning surpass autoregressive models in zero-shot perplexity on 3 of 7 benchmarks. Second, we present Discrete Consistency Distillation, which adapts consistency distillation from the continuous to the discrete setting. This algorithm unlocks few-step generation in diffusion language models by accelerating sampling by two orders of magnitude. We provide the code and model checkpoints on the project page: http://s-sahoo.github.io/duo
comment: ICML 2025. We provide the code at: https://github.com/s-sahoo/duo
☆ Generalization or Hallucination? Understanding Out-of-Context Reasoning in Transformers
Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.
☆ Slimming Down LLMs Without Losing Their Minds
This paper investigates and validates the impact of fine-tuning on large language model performance, focusing on parameter-efficient methods (LoRA and QLoRA). We evaluate model capabilities across three key domains: (1) commonsense reasoning (HellaSwag), (2) mathematical reasoning (GSM8K), and (3) multi-domain knowledge (MMLU-CS). Our findings demonstrate that: (1) LoRA-based methods effectively improve task-specific performance while maintaining computational efficiency, and (2) performance strongly depends on alignment between fine-tuning dataset and benchmark tasks. The study provides both theoretical insights into parameter-efficient mechanisms and practical guidance for developers implementing efficient LLM adaptation with limited resources.
comment: 10 pages
☆ Enhancing Medical Dialogue Generation through Knowledge Refinement and Dynamic Prompt Adjustment ACL 2025
Medical dialogue systems (MDS) have emerged as crucial online platforms for enabling multi-turn, context-aware conversations with patients. However, existing MDS often struggle to (1) identify relevant medical knowledge and (2) generate personalized, medically accurate responses. To address these challenges, we propose MedRef, a novel MDS that incorporates knowledge refining and dynamic prompt adjustment. First, we employ a knowledge refining mechanism to filter out irrelevant medical data, improving predictions of critical medical entities in responses. Additionally, we design a comprehensive prompt structure that incorporates historical details and evident details. To enable real-time adaptability to diverse patient conditions, we implement two key modules, Triplet Filter and Demo Selector, providing appropriate knowledge and demonstrations equipped in the system prompt. Extensive experiments on MedDG and KaMed benchmarks show that MedRef outperforms state-of-the-art baselines in both generation quality and medical entity accuracy, underscoring its effectiveness and reliability for real-world healthcare applications.
comment: ACL 2025 Findings
☆ Analyzing the relationships between pretraining language, phonetic, tonal, and speaker information in self-supervised speech models
Analyses of self-supervised speech models have begun to reveal where and how they represent different types of information. However, almost all analyses have focused on English. Here, we examine how wav2vec2 models trained on four different languages encode both language-matched and non-matched speech. We use probing classifiers and geometric analyses to examine how phones, lexical tones, and speaker information are represented. We show that for all pretraining and test languages, the subspaces encoding phones, tones, and speakers are largely orthogonal, and that layerwise patterns of probing accuracy are similar, with a relatively small advantage for matched-language phone and tone (but not speaker) probes in the later layers. Our findings suggest that the structure of representations learned by wav2vec2 is largely independent of the speech material used during pretraining.
☆ Accelerating Diffusion Large Language Models with SlowFast: The Three Golden Principles
Diffusion-based language models (dLLMs) have emerged as a promising alternative to traditional autoregressive LLMs by enabling parallel token generation and significantly reducing inference latency. However, existing sampling strategies for dLLMs, such as confidence-based or semi-autoregressive decoding, often suffer from static behavior, leading to suboptimal efficiency and limited flexibility. In this paper, we propose SlowFast Sampling, a novel dynamic sampling strategy that adaptively alternates between exploratory and accelerated decoding stages. Our method is guided by three golden principles: certainty principle, convergence principle, and positional principle, which govern when and where tokens can be confidently and efficiently decoded. We further integrate our strategy with dLLM-Cache to reduce redundant computation. Extensive experiments across benchmarks and models show that SlowFast Sampling achieves up to 15.63$\times$ speedup on LLaDA with minimal accuracy drop, and up to 34.22$\times$ when combined with caching. Notably, our approach outperforms strong autoregressive baselines like LLaMA3 8B in throughput, demonstrating that well-designed sampling can unlock the full potential of dLLMs for fast and high-quality generation.
comment: 11 pages; 5 figures;
☆ CIIR@LiveRAG 2025: Optimizing Multi-Agent Retrieval Augmented Generation through Self-Training
This paper presents mRAG, a multi-agent retrieval-augmented generation (RAG) framework composed of specialized agents for subtasks such as planning, searching, reasoning, and coordination. Our system uses a self-training paradigm with reward-guided trajectory sampling to optimize inter-agent collaboration and enhance response generation. Evaluated on DataMorgana-derived datasets during the SIGIR 2025 LiveRAG competition, mRAG outperforms conventional RAG baselines. We further analyze competition outcomes and showcase the framework's strengths with case studies, demonstrating its efficacy for complex, real-world RAG tasks.
☆ ReCUT: Balancing Reasoning Length and Accuracy in LLMs via Stepwise Trails and Preference Optimization
Recent advances in Chain-of-Thought (CoT) prompting have substantially improved the reasoning capabilities of Large Language Models (LLMs). However, these methods often suffer from overthinking, leading to unnecessarily lengthy or redundant reasoning traces. Existing approaches attempt to mitigate this issue through curating multiple reasoning chains for training LLMs, but their effectiveness is often constrained by the quality of the generated data and prone to overfitting. To address the challenge, we propose Reasoning Compression ThroUgh Stepwise Trials (ReCUT), a novel method aimed at balancing the accuracy and length of reasoning trajectory. Specifically, ReCUT employs a stepwise exploration mechanism and a long-short switched sampling strategy, enabling LLMs to incrementally generate diverse reasoning paths. These paths are evaluated and used to construct preference pairs to train two specialized models (Gemini LLMs)-one optimized for reasoning accuracy, the other for shorter reasoning. A final integrated model is obtained by interpolating the parameters of these two models. Experimental results across multiple math reasoning datasets and backbone models demonstrate that ReCUT significantly reduces reasoning lengths by approximately 30-50%, while maintaining or improving reasoning accuracy compared to various baselines. All codes and data will be released via https://github.com/NEUIR/ReCUT.
☆ VideoDeepResearch: Long Video Understanding With Agentic Tool Using
Long video understanding (LVU) presents a significant challenge for current multi-modal large language models (MLLMs) due to the task's inherent complexity and context window constraint. It is widely assumed that addressing LVU tasks requires foundation MLLMs with extended context windows, strong visual perception capabilities, and proficient domain expertise. In this work, we challenge this common belief by introducing VideoDeepResearch, a novel agentic framework for long video understanding. Our approach relies solely on a text-only large reasoning model (LRM) combined with a modular multi-modal toolkit, including multimodal retrievers and visual perceivers, all of which are readily available in practice. For each LVU task, the system formulates a problem-solving strategy through reasoning, while selectively accessing and utilizing essential video content via tool using. We conduct extensive experiments on popular LVU benchmarks, including MLVU, Video-MME, and LVBench. Our results demonstrate that VideoDeepResearch achieves substantial improvements over existing MLLM baselines, surpassing the previous state-of-the-art by 9.6%, 6.6%, and 3.9% on MLVU (test), LVBench, and LongVideoBench, respectively. These findings highlight the promise of agentic systems in overcoming key challenges in LVU problems.
☆ Mitigating Negative Interference in Multilingual Sequential Knowledge Editing through Null-Space Constraints ACL 2025
Efficiently updating multilingual knowledge in large language models (LLMs), while preserving consistent factual representations across languages, remains a long-standing and unresolved challenge. While deploying separate editing systems for each language might seem viable, this approach incurs substantial costs due to the need to manage multiple models. A more efficient solution involves integrating knowledge updates across all languages into a unified model. However, performing sequential edits across languages often leads to destructive parameter interference, significantly degrading multilingual generalization and the accuracy of injected knowledge. To address this challenge, we propose LangEdit, a novel null-space constrained framework designed to precisely isolate language-specific knowledge updates. The core innovation of LangEdit lies in its ability to project parameter updates for each language onto the orthogonal complement of previous updated subspaces. This approach mathematically guarantees update independence while preserving multilingual generalization capabilities. We conduct a comprehensive evaluation across three model architectures, six languages, and four downstream tasks, demonstrating that LangEdit effectively mitigates parameter interference and outperforms existing state-of-the-art editing methods. Our results highlight its potential for enabling efficient and accurate multilingual knowledge updates in LLMs. The code is available at https://github.com/VRCMF/LangEdit.git.
comment: ACL 2025 Findings
☆ FASCIST-O-METER: Classifier for Neo-fascist Discourse Online
Neo-fascism is a political and societal ideology that has been having remarkable growth in the last decade in the United States of America (USA), as well as in other Western societies. It poses a grave danger to democracy and the minorities it targets, and it requires active actions against it to avoid escalation. This work presents the first-of-its-kind neo-fascist coding scheme for digital discourse in the USA societal context, overseen by political science researchers. Our work bridges the gap between Natural Language Processing (NLP) and political science against this phenomena. Furthermore, to test the coding scheme, we collect a tremendous amount of activity on the internet from notable neo-fascist groups (the forums of Iron March and Stormfront.org), and the guidelines are applied to a subset of the collected posts. Through crowdsourcing, we annotate a total of a thousand posts that are labeled as neo-fascist or non-neo-fascist. With this labeled data set, we fine-tune and test both Small Language Models (SLMs) and Large Language Models (LLMs), obtaining the very first classification models for neo-fascist discourse. We find that the prevalence of neo-fascist rhetoric in this kind of forum is ever-present, making them a good target for future research. The societal context is a key consideration for neo-fascist speech when conducting NLP research. Finally, the work against this kind of political movement must be pressed upon and continued for the well-being of a democratic society. Disclaimer: This study focuses on detecting neo-fascist content in text, similar to other hate speech analyses, without labeling individuals or organizations.
☆ Improving Named Entity Transcription with Contextual LLM-based Revision
With recent advances in modeling and the increasing amount of supervised training data, automatic speech recognition (ASR) systems have achieved remarkable performance on general speech. However, the word error rate (WER) of state-of-the-art ASR remains high for named entities. Since named entities are often the most critical keywords, misrecognizing them can affect all downstream applications, especially when the ASR system functions as the front end of a complex system. In this paper, we introduce a large language model (LLM) revision mechanism to revise incorrect named entities in ASR predictions by leveraging the LLM's reasoning ability as well as local context (e.g., lecture notes) containing a set of correct named entities. Finally, we introduce the NER-MIT-OpenCourseWare dataset, containing 45 hours of data from MIT courses for development and testing. On this dataset, our proposed technique achieves up to 30\% relative WER reduction for named entities.
☆ Different Questions, Different Models: Fine-Grained Evaluation of Uncertainty and Calibration in Clinical QA with LLMs
Accurate and well-calibrated uncertainty estimates are essential for deploying large language models (LLMs) in high-stakes domains such as clinical decision support. We present a fine-grained evaluation of uncertainty estimation methods for clinical multiple-choice question answering, covering ten open-source LLMs (general-purpose, biomedical, and reasoning models) across two datasets, eleven medical specialties, and six question types. We compare standard single-generation and sampling-based methods, and present a case study exploring simple, single-pass estimators based on behavioral signals in reasoning traces. These lightweight methods approach the performance of Semantic Entropy while requiring only one generation. Our results reveal substantial variation across specialties and question types, underscoring the importance of selecting models based on both the nature of the question and model-specific strengths.
☆ One Tokenizer To Rule Them All: Emergent Language Plasticity via Multilingual Tokenizers
Pretraining massively multilingual Large Language Models (LLMs) for many languages at once is challenging due to limited model capacity, scarce high-quality data, and compute constraints. Moreover, the lack of language coverage of the tokenizer makes it harder to address the gap for new languages purely at the post-training stage. In this work, we study what relatively cheap interventions early on in training improve "language plasticity", or adaptation capabilities of the model post-training to new languages. We focus on tokenizer design and propose using a universal tokenizer that is trained for more languages than the primary pretraining languages to enable efficient adaptation in expanding language coverage after pretraining. Our systematic experiments across diverse groups of languages and different training strategies show that a universal tokenizer enables significantly higher language adaptation, with up to 20.2% increase in win rates compared to tokenizers specific to pretraining languages. Furthermore, a universal tokenizer also leads to better plasticity towards languages that are completely unseen in the tokenizer and pretraining, by up to 5% win rate gain. We achieve this adaptation to an expanded set of languages with minimal compromise in performance on the majority of languages included in pretraining.
☆ Neural at ArchEHR-QA 2025: Agentic Prompt Optimization for Evidence-Grounded Clinical Question Answering
Automated question answering (QA) over electronic health records (EHRs) can bridge critical information gaps for clinicians and patients, yet it demands both precise evidence retrieval and faithful answer generation under limited supervision. In this work, we present Neural, the runner-up in the BioNLP 2025 ArchEHR-QA shared task on evidence-grounded clinical QA. Our proposed method decouples the task into (1) sentence-level evidence identification and (2) answer synthesis with explicit citations. For each stage, we automatically explore the prompt space with DSPy's MIPROv2 optimizer, jointly tuning instructions and few-shot demonstrations on the development set. A self-consistency voting scheme further improves evidence recall without sacrificing precision. On the hidden test set, our method attains an overall score of 51.5, placing second stage while outperforming standard zero-shot and few-shot prompting by over 20 and 10 points, respectively. These results indicate that data-driven prompt optimization is a cost-effective alternative to model fine-tuning for high-stakes clinical QA, advancing the reliability of AI assistants in healthcare.
☆ TaxoAdapt: Aligning LLM-Based Multidimensional Taxonomy Construction to Evolving Research Corpora ACL 2025
The rapid evolution of scientific fields introduces challenges in organizing and retrieving scientific literature. While expert-curated taxonomies have traditionally addressed this need, the process is time-consuming and expensive. Furthermore, recent automatic taxonomy construction methods either (1) over-rely on a specific corpus, sacrificing generalizability, or (2) depend heavily on the general knowledge of large language models (LLMs) contained within their pre-training datasets, often overlooking the dynamic nature of evolving scientific domains. Additionally, these approaches fail to account for the multi-faceted nature of scientific literature, where a single research paper may contribute to multiple dimensions (e.g., methodology, new tasks, evaluation metrics, benchmarks). To address these gaps, we propose TaxoAdapt, a framework that dynamically adapts an LLM-generated taxonomy to a given corpus across multiple dimensions. TaxoAdapt performs iterative hierarchical classification, expanding both the taxonomy width and depth based on corpus' topical distribution. We demonstrate its state-of-the-art performance across a diverse set of computer science conferences over the years to showcase its ability to structure and capture the evolution of scientific fields. As a multidimensional method, TaxoAdapt generates taxonomies that are 26.51% more granularity-preserving and 50.41% more coherent than the most competitive baselines judged by LLMs.
comment: Accepted to ACL 2025 Main Conference. Code available at: https://github.com/pkargupta/taxoadapt
☆ Beyond True or False: Retrieval-Augmented Hierarchical Analysis of Nuanced Claims ACL 2025
Claims made by individuals or entities are oftentimes nuanced and cannot be clearly labeled as entirely "true" or "false" -- as is frequently the case with scientific and political claims. However, a claim (e.g., "vaccine A is better than vaccine B") can be dissected into its integral aspects and sub-aspects (e.g., efficacy, safety, distribution), which are individually easier to validate. This enables a more comprehensive, structured response that provides a well-rounded perspective on a given problem while also allowing the reader to prioritize specific angles of interest within the claim (e.g., safety towards children). Thus, we propose ClaimSpect, a retrieval-augmented generation-based framework for automatically constructing a hierarchy of aspects typically considered when addressing a claim and enriching them with corpus-specific perspectives. This structure hierarchically partitions an input corpus to retrieve relevant segments, which assist in discovering new sub-aspects. Moreover, these segments enable the discovery of varying perspectives towards an aspect of the claim (e.g., support, neutral, or oppose) and their respective prevalence (e.g., "how many biomedical papers believe vaccine A is more transportable than B?"). We apply ClaimSpect to a wide variety of real-world scientific and political claims featured in our constructed dataset, showcasing its robustness and accuracy in deconstructing a nuanced claim and representing perspectives within a corpus. Through real-world case studies and human evaluation, we validate its effectiveness over multiple baselines.
comment: Accepted to ACL 2025 Main Conference. Code available at: https://github.com/pkargupta/claimspect
☆ PREMISE: Scalable and Strategic Prompt Optimization for Efficient Mathematical Reasoning in Large Models
Large reasoning models (LRMs) such as Claude 3.7 Sonnet and OpenAI o1 achieve strong performance on mathematical benchmarks using lengthy chain-of-thought (CoT) reasoning, but the resulting traces are often unnecessarily verbose. This inflates token usage and cost, limiting deployment in latency-sensitive or API-constrained settings. We introduce PREMISE (PRompt-based Efficient Mathematical Inference with Strategic Evaluation), a prompt-only framework that reduces reasoning overhead without modifying model weights. PREMISE combines trace-level diagnostics with gradient-inspired prompt optimization to minimize redundant computation while preserving answer accuracy. The approach jointly optimizes brevity and correctness through a multi-objective textual search that balances token length and answer validity. Unlike prior work, PREMISE runs in a single-pass black-box interface, so it can be applied directly to commercial LLMs. On GSM8K, SVAMP, and Math500 we match or exceed baseline accuracy ($96\%\rightarrow96\%$ with Claude, $91\%\rightarrow92\%$ with Gemini) while reducing reasoning tokens by up to $87.5\%$ and cutting dollar cost by $69$--$82\%$. These results show that prompt-level optimization is a practical and scalable path to efficient LRM inference without compromising reasoning quality.
☆ Inferring Adjective Hypernyms with Language Models to Increase the Connectivity of Open English Wordnet
Open English Wordnet is a key resource published in OntoLex-lemon as part of the linguistic linked open data cloud. There are, however, many links missing in the resource, and in this paper, we look at how we can establish hypernymy between adjectives. We present a theoretical discussion of the hypernymy relation and how it differs for adjectives in contrast to nouns and verbs. We develop a new resource for adjective hypernymy and fine-tune large language models to predict adjective hypernymy, showing that the methodology of TaxoLLaMa can be adapted to this task.
Large Language Models for Detection of Life-Threatening Texts
Detecting life-threatening language is essential for safeguarding individuals in distress, promoting mental health and well-being, and preventing potential harm and loss of life. This paper presents an effective approach to identifying life-threatening texts using large language models (LLMs) and compares them with traditional methods such as bag of words, word embedding, topic modeling, and Bidirectional Encoder Representations from Transformers. We fine-tune three open-source LLMs including Gemma, Mistral, and Llama-2 using their 7B parameter variants on different datasets, which are constructed with class balance, imbalance, and extreme imbalance scenarios. Experimental results demonstrate a strong performance of LLMs against traditional methods. More specifically, Mistral and Llama-2 models are top performers in both balanced and imbalanced data scenarios while Gemma is slightly behind. We employ the upsampling technique to deal with the imbalanced data scenarios and demonstrate that while this method benefits traditional approaches, it does not have as much impact on LLMs. This study demonstrates a great potential of LLMs for real-world life-threatening language detection problems.
☆ TeleMath: A Benchmark for Large Language Models in Telecom Mathematical Problem Solving
The increasing adoption of artificial intelligence in telecommunications has raised interest in the capability of Large Language Models (LLMs) to address domain-specific, mathematically intensive tasks. Although recent advancements have improved the performance of LLMs in general mathematical reasoning, their effectiveness within specialized domains, such as signal processing, network optimization, and performance analysis, remains largely unexplored. To address this gap, we introduce TeleMath, the first benchmark dataset specifically designed to evaluate LLM performance in solving mathematical problems with numerical solutions in the telecommunications domain. Comprising 500 question-answer (QnA) pairs, TeleMath covers a wide spectrum of topics in the telecommunications field. This paper outlines the proposed QnAs generation pipeline, starting from a selected seed of problems crafted by Subject Matter Experts. The evaluation of a wide range of open-source LLMs reveals that best performance on TeleMath is achieved by recent models explicitly designed for mathematical or logical reasoning. In contrast, general-purpose models, even those with a large number of parameters, often struggle with these challenges. We have released the dataset and the evaluation code to ease result reproducibility and support future research.
comment: 6 pages
☆ Robust Unsupervised Adaptation of a Speech Recogniser Using Entropy Minimisation and Speaker Codes
Speech recognisers usually perform optimally only in a specific environment and need to be adapted to work well in another. For adaptation to a new speaker, there is often too little data for fine-tuning to be robust, and that data is usually unlabelled. This paper proposes a combination of approaches to make adaptation to a single minute of data robust. First, instead of estimating the adaptation parameters with cross-entropy on a single error-prone hypothesis or "pseudo-label", this paper proposes a novel loss function, the conditional entropy over complete hypotheses. Using multiple hypotheses makes adaptation more robust to errors in the initial recognition. Second, a "speaker code" characterises a speaker in a vector short enough that it requires little data to estimate. On a far-field noise-augmented version of Common Voice, the proposed scheme yields a 20% relative improvement in word error rate on one minute of adaptation data, increasing on 10 minutes to 29%.
☆ Spelling-out is not Straightforward: LLMs' Capability of Tokenization from Token to Characters
Large language models (LLMs) can spell out tokens character by character with high accuracy, yet they struggle with more complex character-level tasks, such as identifying compositional subcomponents within tokens. In this work, we investigate how LLMs internally represent and utilize character-level information during the spelling-out process. Our analysis reveals that, although spelling out is a simple task for humans, it is not handled in a straightforward manner by LLMs. Specifically, we show that the embedding layer does not fully encode character-level information, particularly beyond the first character. As a result, LLMs rely on intermediate and higher Transformer layers to reconstruct character-level knowledge, where we observe a distinct "breakthrough" in their spelling behavior. We validate this mechanism through three complementary analyses: probing classifiers, identification of knowledge neurons, and inspection of attention weights.
☆ Conversational Search: From Fundamentals to Frontiers in the LLM Era
Conversational search enables multi-turn interactions between users and systems to fulfill users' complex information needs. During this interaction, the system should understand the users' search intent within the conversational context and then return the relevant information through a flexible, dialogue-based interface. The recent powerful large language models (LLMs) with capacities of instruction following, content generation, and reasoning, attract significant attention and advancements, providing new opportunities and challenges for building up intelligent conversational search systems. This tutorial aims to introduce the connection between fundamentals and the emerging topics revolutionized by LLMs in the context of conversational search. It is designed for students, researchers, and practitioners from both academia and industry. Participants will gain a comprehensive understanding of both the core principles and cutting-edge developments driven by LLMs in conversational search, equipping them with the knowledge needed to contribute to the development of next-generation conversational search systems.
comment: Accepted by Tutorial Track in SIGIR 2025
☆ NeuralNexus at BEA 2025 Shared Task: Retrieval-Augmented Prompting for Mistake Identification in AI Tutors
This paper presents our system for Track 1: Mistake Identification in the BEA 2025 Shared Task on Pedagogical Ability Assessment of AI-powered Tutors. The task involves evaluating whether a tutor's response correctly identifies a mistake in a student's mathematical reasoning. We explore four approaches: (1) an ensemble of machine learning models over pooled token embeddings from multiple pretrained language models (LMs); (2) a frozen sentence-transformer using [CLS] embeddings with an MLP classifier; (3) a history-aware model with multi-head attention between token-level history and response embeddings; and (4) a retrieval-augmented few-shot prompting system with a large language model (LLM) i.e. GPT 4o. Our final system retrieves semantically similar examples, constructs structured prompts, and uses schema-guided output parsing to produce interpretable predictions. It outperforms all baselines, demonstrating the effectiveness of combining example-driven prompting with LLM reasoning for pedagogical feedback assessment. Our code is available at https://github.com/NaumanNaeem/BEA_2025.
comment: 6 pages, 2 figures, 1 table
☆ SDialog: A Python Toolkit for Synthetic Dialogue Generation and Analysis
The advancement of conversational AI systems relies on the availability of high-quality, flexible, and reproducible synthetic dialogues for training, evaluation, and benchmarking. SDialog is a modular, extensible Python toolkit designed to address the challenges of synthetic dialogue generation and analysis. By leveraging instruction-tuned Large Language Models (LLMs), SDialog provides abstractions for personas, orchestration, and scenario management, enabling the creation of realistic, diverse, and controllable conversational data for research and development. SDialog supports workflows such as multi-agent simulation and scenario-driven generation, and represents a step forward in the standardization of tools and frameworks for synthetic data generation, a crucial advancement for ensuring reproducibility in today's fast-evolving research landscape.
comment: https://github.com/idiap/sdialog
☆ Deep Learning-Based Digitization of Overlapping ECG Images with Open-Source Python Code
This paper addresses the persistent challenge of accurately digitizing paper-based electrocardiogram (ECG) recordings, with a particular focus on robustly handling single leads compromised by signal overlaps-a common yet under-addressed issue in existing methodologies. We propose a two-stage pipeline designed to overcome this limitation. The first stage employs a U-Net based segmentation network, trained on a dataset enriched with overlapping signals and fortified with custom data augmentations, to accurately isolate the primary ECG trace. The subsequent stage converts this refined binary mask into a time-series signal using established digitization techniques, enhanced by an adaptive grid detection module for improved versatility across different ECG formats and scales. Our experimental results demonstrate the efficacy of our approach. The U-Net architecture achieves an IoU of 0.87 for the fine-grained segmentation task. Crucially, our proposed digitization method yields superior performance compared to a well-established baseline technique across both non-overlapping and challenging overlapping ECG samples. For non-overlapping signals, our method achieved a Mean Squared Error (MSE) of 0.0010 and a Pearson Correlation Coefficient (rho) of 0.9644, compared to 0.0015 and 0.9366, respectively, for the baseline. On samples with signal overlap, our method achieved an MSE of 0.0029 and a rho of 0.9641, significantly improving upon the baseline's 0.0178 and 0.8676. This work demonstrates an effective strategy to significantly enhance digitization accuracy, especially in the presence of signal overlaps, thereby laying a strong foundation for the reliable conversion of analog ECG records into analyzable digital data for contemporary research and clinical applications. The implementation is publicly available at this GitHub repository: https://github.com/masoudrahimi39/ECG-code.
☆ Unsupervised Protoform Reconstruction through Parsimonious Rule-guided Heuristics and Evolutionary Search
We propose an unsupervised method for the reconstruction of protoforms i.e., ancestral word forms from which modern language forms are derived. While prior work has primarily relied on probabilistic models of phonological edits to infer protoforms from cognate sets, such approaches are limited by their predominantly data-driven nature. In contrast, our model integrates data-driven inference with rule-based heuristics within an evolutionary optimization framework. This hybrid approach leverages on both statistical patterns and linguistically motivated constraints to guide the reconstruction process. We evaluate our method on the task of reconstructing Latin protoforms using a dataset of cognates from five Romance languages. Experimental results demonstrate substantial improvements over established baselines across both character-level accuracy and phonological plausibility metrics.
☆ Encoding call-by-push-value in the pi-calculus
In this report we define an encoding of Levys call-by-push-value lambda-calculus (CBPV) in the pi-calculus, and prove that our encoding is both sound and complete. We present informal (by-hand) proofs of soundness, completeness, and all required lemmas. The encoding is specialized to the internal pi-calculus (pi-i-calculus) to circumvent certain challenges associated with using de Bruijn index in a formalization, and it also helps with bisimulation as early-, late- and open-bisimulation coincide in this setting, furthermore bisimulation is a congruence. Additionally, we argue that our encoding also satisfies the five criteria for good encodings proposed by Gorla, as well as show similarities between Milners and our encoding. This paper includes encodings from CBPV in the pi-i-calculus, asynchronous polyadic pi-calculus and the local pi-calculus. We begin a formalization of the proof in Coq for the soundness and completeness of the encoding in the pi-i-calculus. Not all lemmas used in the formalization are themselves formally proven. However, we argue that the non-proven lemmas are reasonable, as they are proven by hand, or amount to Coq formalities that are straightforward given informal arguments.
comment: 56 pages
☆ Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning
Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level scientific benchmarks, scientific Multimodal Large Language Models (MLLMs) hold the potential to significantly enhance this discovery process in realistic workflows. However, current scientific benchmarks mostly focus on evaluating the knowledge understanding capabilities of MLLMs, leading to an inadequate assessment of their perception and reasoning abilities. To address this gap, we present the Scientists' First Exam (SFE) benchmark, designed to evaluate the scientific cognitive capacities of MLLMs through three interconnected levels: scientific signal perception, scientific attribute understanding, scientific comparative reasoning. Specifically, SFE comprises 830 expert-verified VQA pairs across three question types, spanning 66 multimodal tasks across five high-value disciplines. Extensive experiments reveal that current state-of-the-art GPT-o3 and InternVL-3 achieve only 34.08% and 26.52% on SFE, highlighting significant room for MLLMs to improve in scientific realms. We hope the insights obtained in SFE will facilitate further developments in AI-enhanced scientific discoveries.
comment: 82 pages
☆ Reliable Reasoning Path: Distilling Effective Guidance for LLM Reasoning with Knowledge Graphs
Large language models (LLMs) often struggle with knowledge-intensive tasks due to a lack of background knowledge and a tendency to hallucinate. To address these limitations, integrating knowledge graphs (KGs) with LLMs has been intensively studied. Existing KG-enhanced LLMs focus on supplementary factual knowledge, but still struggle with solving complex questions. We argue that refining the relationships among facts and organizing them into a logically consistent reasoning path is equally important as factual knowledge itself. Despite their potential, extracting reliable reasoning paths from KGs poses the following challenges: the complexity of graph structures and the existence of multiple generated paths, making it difficult to distinguish between useful and redundant ones. To tackle these challenges, we propose the RRP framework to mine the knowledge graph, which combines the semantic strengths of LLMs with structural information obtained through relation embedding and bidirectional distribution learning. Additionally, we introduce a rethinking module that evaluates and refines reasoning paths according to their significance. Experimental results on two public datasets show that RRP achieves state-of-the-art performance compared to existing baseline methods. Moreover, RRP can be easily integrated into various LLMs to enhance their reasoning abilities in a plug-and-play manner. By generating high-quality reasoning paths tailored to specific questions, RRP distills effective guidance for LLM reasoning.
☆ Beyond Single-User Dialogue: Assessing Multi-User Dialogue State Tracking Capabilities of Large Language Models
Large language models (LLMs) have demonstrated remarkable performance in zero-shot dialogue state tracking (DST), reducing the need for task-specific training. However, conventional DST benchmarks primarily focus on structured user-agent conversations, failing to capture the complexities of real-world multi-user interactions. In this study, we assess the robustness of LLMs in multi-user DST while minimizing dataset construction costs. Inspired by recent advances in LLM-based data annotation, we extend an existing DST dataset by generating utterances of a second user based on speech act theory. Our methodology systematically incorporates a second user's utterances into conversations, enabling a controlled evaluation of LLMs in multi-user settings. Experimental results reveal a significant performance drop compared to single-user DST, highlighting the limitations of current LLMs in extracting and tracking dialogue states amidst multiple speakers. Our findings emphasize the need for future research to enhance LLMs for multi-user DST scenarios, paving the way for more realistic and robust DST models.
☆ Surface Fairness, Deep Bias: A Comparative Study of Bias in Language Models
Modern language models are trained on large amounts of data. These data inevitably include controversial and stereotypical content, which contains all sorts of biases related to gender, origin, age, etc. As a result, the models express biased points of view or produce different results based on the assigned personality or the personality of the user. In this paper, we investigate various proxy measures of bias in large language models (LLMs). We find that evaluating models with pre-prompted personae on a multi-subject benchmark (MMLU) leads to negligible and mostly random differences in scores. However, if we reformulate the task and ask a model to grade the user's answer, this shows more significant signs of bias. Finally, if we ask the model for salary negotiation advice, we see pronounced bias in the answers. With the recent trend for LLM assistant memory and personalization, these problems open up from a different angle: modern LLM users do not need to pre-prompt the description of their persona since the model already knows their socio-demographics.
☆ Table-Text Alignment: Explaining Claim Verification Against Tables in Scientific Papers
Scientific claim verification against tables typically requires predicting whether a claim is supported or refuted given a table. However, we argue that predicting the final label alone is insufficient: it reveals little about the model's reasoning and offers limited interpretability. To address this, we reframe table-text alignment as an explanation task, requiring models to identify the table cells essential for claim verification. We build a new dataset by extending the SciTab benchmark with human-annotated cell-level rationales. Annotators verify the claim label and highlight the minimal set of cells needed to support their decision. After the annotation process, we utilize the collected information and propose a taxonomy for handling ambiguous cases. Our experiments show that (i) incorporating table alignment information improves claim verification performance, and (ii) most LLMs, while often predicting correct labels, fail to recover human-aligned rationales, suggesting that their predictions do not stem from faithful reasoning.
comment: 8 pages; code and data are available at https://github.com/Alab-NII/SciTabAlign
☆ Towards Robust Multimodal Emotion Recognition under Missing Modalities and Distribution Shifts
Recent advancements in Multimodal Emotion Recognition (MER) face challenges in addressing both modality missing and Out-Of-Distribution (OOD) data simultaneously. Existing methods often rely on specific models or introduce excessive parameters, which limits their practicality. To address these issues, we propose a novel robust MER framework, Causal Inference Distiller (CIDer), and introduce a new task, Random Modality Feature Missing (RMFM), to generalize the definition of modality missing. CIDer integrates two key components: a Model-Specific Self-Distillation (MSSD) module and a Model-Agnostic Causal Inference (MACI) module. MSSD enhances robustness under the RMFM task through a weight-sharing self-distillation approach applied across low-level features, attention maps, and high-level representations. Additionally, a Word-level Self-aligned Attention Module (WSAM) reduces computational complexity, while a Multimodal Composite Transformer (MCT) facilitates efficient multimodal fusion. To tackle OOD challenges, MACI employs a tailored causal graph to mitigate label and language biases using a Multimodal Causal Module (MCM) and fine-grained counterfactual texts. Notably, MACI can independently enhance OOD generalization with minimal additional parameters. Furthermore, we also introduce the new repartitioned MER OOD datasets. Experimental results demonstrate that CIDer achieves robust performance in both RMFM and OOD scenarios, with fewer parameters and faster training compared to state-of-the-art methods. The implementation of this work is publicly accessible at https://github.com/gw-zhong/CIDer.
comment: Submitted to TAC. The code is available at https://github.com/gw-zhong/CIDer
☆ Fast on the Easy, Deep on the Hard: Efficient Reasoning via Powered Length Penalty
Large language models (LLMs) have demonstrated significant advancements in reasoning capabilities, performing well on various challenging benchmarks. Techniques like Chain-of-Thought prompting have been introduced to further improve reasoning. However, these approaches frequently generate longer outputs, which in turn increase computational latency. Although some methods use reinforcement learning to shorten reasoning, they often apply uniform penalties without considering the problem's complexity, leading to suboptimal outcomes. In this study, we seek to enhance the efficiency of LLM reasoning by promoting conciseness for simpler problems while preserving sufficient reasoning for more complex ones for accuracy, thus improving the model's overall performance. Specifically, we manage the model's reasoning efficiency by dividing the reward function and including a novel penalty for output length. Our approach has yielded impressive outcomes in benchmark evaluations across three datasets: GSM8K, MATH500, and AIME2024. For the comparatively simpler datasets GSM8K and MATH500, our method has effectively shortened output lengths while preserving or enhancing accuracy. On the more demanding AIME2024 dataset, our approach has resulted in improved accuracy.
☆ PAL: Probing Audio Encoders via LLMs -- A Study of Information Transfer from Audio Encoders to LLMs
The integration of audio perception capabilities into Large Language Models (LLMs) has enabled significant advances in Audio-LLMs. Although application-focused developments, particularly in curating training data for specific capabilities e.g., audio reasoning, have progressed rapidly, the underlying mechanisms that govern efficient transfer of rich semantic representations from audio encoders to LLMs remain under-explored. We conceptualize effective audio-LLM interaction as the LLM's ability to proficiently probe the audio encoder representations to satisfy textual queries. This paper presents a systematic investigation on how architectural design choices can affect that. Beginning with a standard Pengi/LLaVA-style audio-LLM architecture, we propose and evaluate several modifications guided by hypotheses derived from mechanistic interpretability studies and LLM operational principles. Our experiments demonstrate that: (1) delaying audio integration until the LLM's initial layers establish textual context that enhances its ability to probe the audio representations for relevant information; (2) the LLM can proficiently probe audio representations exclusively through LLM layer's attention submodule, without requiring propagation to its Feed-Forward Network (FFN) submodule; (3) an efficiently integrated ensemble of diverse audio encoders provides richer, complementary representations, thereby broadening the LLM's capacity to probe a wider spectrum of audio information. All hypotheses are evaluated using an identical three-stage training curriculum on a dataset of 5.6 million audio-text pairs, ensuring controlled comparisons. Our final architecture, which incorporates all proposed modifications, achieves relative improvements from 10\% to 60\% over the baseline, validating our approach to optimizing cross-modal information transfer in audio-LLMs. Project page: https://ta012.github.io/PAL/
comment: 21 pages, 11 figures
☆ Beyond the Battlefield: Framing Analysis of Media Coverage in Conflict Reporting
Framing used by news media, especially in times of conflict, can have substantial impact on readers' opinion, potentially aggravating the conflict itself. Current studies on the topic of conflict framing have limited insights due to their qualitative nature or only look at surface level generic frames without going deeper. In this work, we identify indicators of war and peace journalism, as outlined by prior work in conflict studies, in a corpus of news articles reporting on the Israel-Palestine war. For our analysis, we use computational approaches, using a combination of frame semantics and large language models to identify both communicative framing and its connection to linguistic framing. Our analysis reveals a higher focus on war based reporting rather than peace based. We also show substantial differences in reporting across the US, UK, and Middle Eastern news outlets in framing who the assailant and victims of the conflict are, surfacing biases within the media.
☆ Burn After Reading: Do Multimodal Large Language Models Truly Capture Order of Events in Image Sequences? ACL 2025
This paper introduces the TempVS benchmark, which focuses on temporal grounding and reasoning capabilities of Multimodal Large Language Models (MLLMs) in image sequences. TempVS consists of three main tests (i.e., event relation inference, sentence ordering and image ordering), each accompanied with a basic grounding test. TempVS requires MLLMs to rely on both visual and linguistic modalities to understand the temporal order of events. We evaluate 38 state-of-the-art MLLMs, demonstrating that models struggle to solve TempVS, with a substantial performance gap compared to human capabilities. We also provide fine-grained insights that suggest promising directions for future research. Our TempVS benchmark data and code are available at https://github.com/yjsong22/TempVS.
comment: 27 pages, 14 figures. Accepted to ACL 2025
☆ Time-IMM: A Dataset and Benchmark for Irregular Multimodal Multivariate Time Series
Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at https://www.kaggle.com/datasets/blacksnail789521/time-imm/data, and the benchmark library can be accessed at https://anonymous.4open.science/r/IMMTSF_NeurIPS2025.
comment: This paper is currently under review
☆ PAG: Multi-Turn Reinforced LLM Self-Correction with Policy as Generative Verifier
Large Language Models (LLMs) have demonstrated impressive capabilities in complex reasoning tasks, yet they still struggle to reliably verify the correctness of their own outputs. Existing solutions to this verification challenge often depend on separate verifier models or require multi-stage self-correction training pipelines, which limit scalability. In this paper, we propose Policy as Generative Verifier (PAG), a simple and effective framework that empowers LLMs to self-correct by alternating between policy and verifier roles within a unified multi-turn reinforcement learning (RL) paradigm. Distinct from prior approaches that always generate a second attempt regardless of model confidence, PAG introduces a selective revision mechanism: the model revises its answer only when its own generative verification step detects an error. This verify-then-revise workflow not only alleviates model collapse but also jointly enhances both reasoning and verification abilities. Extensive experiments across diverse reasoning benchmarks highlight PAG's dual advancements: as a policy, it enhances direct generation and self-correction accuracy; as a verifier, its self-verification outperforms self-consistency.
☆ TableRAG: A Retrieval Augmented Generation Framework for Heterogeneous Document Reasoning
Retrieval-Augmented Generation (RAG) has demonstrated considerable effectiveness in open-domain question answering. However, when applied to heterogeneous documents, comprising both textual and tabular components, existing RAG approaches exhibit critical limitations. The prevailing practice of flattening tables and chunking strategies disrupts the intrinsic tabular structure, leads to information loss, and undermines the reasoning capabilities of LLMs in multi-hop, global queries. To address these challenges, we propose TableRAG, an hybrid framework that unifies textual understanding and complex manipulations over tabular data. TableRAG iteratively operates in four steps: context-sensitive query decomposition, text retrieval, SQL programming and execution, and compositional intermediate answer generation. We also develop HeteQA, a novel benchmark designed to evaluate the multi-hop heterogeneous reasoning capabilities. Experimental results demonstrate that TableRAG consistently outperforms existing baselines on both public datasets and our HeteQA, establishing a new state-of-the-art for heterogeneous document question answering. We release TableRAG at https://github.com/yxh-y/TableRAG/tree/main.
comment: Under review. Codes are available at https://github.com/yxh-y/TableRAG/tree/main
☆ Discovering Hierarchical Latent Capabilities of Language Models via Causal Representation Learning
Faithful evaluation of language model capabilities is crucial for deriving actionable insights that can inform model development. However, rigorous causal evaluations in this domain face significant methodological challenges, including complex confounding effects and prohibitive computational costs associated with extensive retraining. To tackle these challenges, we propose a causal representation learning framework wherein observed benchmark performance is modeled as a linear transformation of a few latent capability factors. Crucially, these latent factors are identified as causally interrelated after appropriately controlling for the base model as a common confounder. Applying this approach to a comprehensive dataset encompassing over 1500 models evaluated across six benchmarks from the Open LLM Leaderboard, we identify a concise three-node linear causal structure that reliably explains the observed performance variations. Further interpretation of this causal structure provides substantial scientific insights beyond simple numerical rankings: specifically, we reveal a clear causal direction starting from general problem-solving capabilities, advancing through instruction-following proficiency, and culminating in mathematical reasoning ability. Our results underscore the essential role of carefully controlling base model variations during evaluation, a step critical to accurately uncovering the underlying causal relationships among latent model capabilities.
☆ Can We Infer Confidential Properties of Training Data from LLMs?
Large language models (LLMs) are increasingly fine-tuned on domain-specific datasets to support applications in fields such as healthcare, finance, and law. These fine-tuning datasets often have sensitive and confidential dataset-level properties -- such as patient demographics or disease prevalence -- that are not intended to be revealed. While prior work has studied property inference attacks on discriminative models (e.g., image classification models) and generative models (e.g., GANs for image data), it remains unclear if such attacks transfer to LLMs. In this work, we introduce PropInfer, a benchmark task for evaluating property inference in LLMs under two fine-tuning paradigms: question-answering and chat-completion. Built on the ChatDoctor dataset, our benchmark includes a range of property types and task configurations. We further propose two tailored attacks: a prompt-based generation attack and a shadow-model attack leveraging word frequency signals. Empirical evaluations across multiple pretrained LLMs show the success of our attacks, revealing a previously unrecognized vulnerability in LLMs.
♻ ☆ Visually Descriptive Language Model for Vector Graphics Reasoning
Despite significant advancements, large multimodal models (LMMs) still struggle to bridge the gap between low-level visual perception -- focusing on shapes, sizes, and layouts -- and high-level language reasoning, such as semantics and logic. This limitation is evident in tasks that require precise visual perception, like comparing geometric properties or solving visual reasoning problems. To study this failure mode, we focus on vector graphics -- images composed of 2D objects and shapes, prevalent in LMM-based tasks in web, design, and OS environments. We identify two key research questions: how can we enable precise visual perception, and how can we facilitate high-level reasoning based on such low-level perceptions? To capture fine visual details, we use Scalable Vector Graphics (SVG) for accurate encoding of visual scenes. However, SVGs are not readily interpretable by LMMs in a zero-shot manner. To tackle this, we propose the Visually Descriptive Language Model (VDLM), which introduces a Primal Visual Description (PVD) as an intermediate textual representation. PVD translates SVGs into a text-based abstraction consisting of primitive attributes (e.g., shape, position, measurement) and their corresponding values. PVD can be learned using task-agnostic synthesized data and represents visual primitives that are universal across vector graphics. This abstraction is more structured, allowing for direct interpretation by foundation models for zero-shot generalization. Without human-annotated data, empirical results show that VDLM significantly improves state-of-the-art LMMs like GPT-4o on various multimodal perception and reasoning tasks. Extensive analyses of VDLM show improved interpretability due to its disentangled perception and reasoning. We also demonstrate a positive correlation between PVD quality and task performance. Project page: https://mikewangwzhl.github.io/VDLM/
comment: Project page: https://mikewangwzhl.github.io/VDLM/
♻ ☆ Improving LLM Safety Alignment with Dual-Objective Optimization ICML 2025
Existing training-time safety alignment techniques for large language models (LLMs) remain vulnerable to jailbreak attacks. Direct preference optimization (DPO), a widely deployed alignment method, exhibits limitations in both experimental and theoretical contexts as its loss function proves suboptimal for refusal learning. Through gradient-based analysis, we identify these shortcomings and propose an improved safety alignment that disentangles DPO objectives into two components: (1) robust refusal training, which encourages refusal even when partial unsafe generations are produced, and (2) targeted unlearning of harmful knowledge. This approach significantly increases LLM robustness against a wide range of jailbreak attacks, including prefilling, suffix, and multi-turn attacks across both in-distribution and out-of-distribution scenarios. Furthermore, we introduce a method to emphasize critical refusal tokens by incorporating a reward-based token-level weighting mechanism for refusal learning, which further improves the robustness against adversarial exploits. Our research also suggests that robustness to jailbreak attacks is correlated with token distribution shifts in the training process and internal representations of refusal and harmful tokens, offering valuable directions for future research in LLM safety alignment. The code is available at https://github.com/wicai24/DOOR-Alignment
comment: ICML 2025
♻ ☆ Weak-to-Strong Jailbreaking on Large Language Models ICML 2025
Large language models (LLMs) are vulnerable to jailbreak attacks - resulting in harmful, unethical, or biased text generations. However, existing jailbreaking methods are computationally costly. In this paper, we propose the weak-to-strong jailbreaking attack, an efficient inference time attack for aligned LLMs to produce harmful text. Our key intuition is based on the observation that jailbroken and aligned models only differ in their initial decoding distributions. The weak-to-strong attack's key technical insight is using two smaller models (a safe and an unsafe one) to adversarially modify a significantly larger safe model's decoding probabilities. We evaluate the weak-to-strong attack on 5 diverse open-source LLMs from 3 organizations. The results show our method can increase the misalignment rate to over 99% on two datasets with just one forward pass per example. Our study exposes an urgent safety issue that needs to be addressed when aligning LLMs. As an initial attempt, we propose a defense strategy to protect against such attacks, but creating more advanced defenses remains challenging. The code for replicating the method is available at https://github.com/XuandongZhao/weak-to-strong
comment: ICML 2025
♻ ☆ Efficiently Identifying Watermarked Segments in Mixed-Source Texts ACL 2025
Text watermarks in large language models (LLMs) are increasingly used to detect synthetic text, mitigating misuse cases like fake news and academic dishonesty. While existing watermarking detection techniques primarily focus on classifying entire documents as watermarked or not, they often neglect the common scenario of identifying individual watermark segments within longer, mixed-source documents. Drawing inspiration from plagiarism detection systems, we propose two novel methods for partial watermark detection. First, we develop a geometry cover detection framework aimed at determining whether there is a watermark segment in long text. Second, we introduce an adaptive online learning algorithm to pinpoint the precise location of watermark segments within the text. Evaluated on three popular watermarking techniques (KGW-Watermark, Unigram-Watermark, and Gumbel-Watermark), our approach achieves high accuracy, significantly outperforming baseline methods. Moreover, our framework is adaptable to other watermarking techniques, offering new insights for precise watermark detection. Our code is publicly available at https://github.com/XuandongZhao/llm-watermark-location
comment: ACL 2025
♻ ☆ PLAY2PROMPT: Zero-shot Tool Instruction Optimization for LLM Agents via Tool Play ACL 2025
Large language models (LLMs) are increasingly integrated with specialized external tools, yet many tasks demand zero-shot tool usage with minimal or noisy documentation. Existing solutions rely on manual rewriting or labeled data for validation, making them inapplicable in true zero-shot settings. To address these challenges, we propose PLAY2PROMPT, an automated framework that systematically "plays" with each tool to explore its input-output behaviors. Through this iterative trial-and-error process, PLAY2PROMPT refines tool documentation and generates usage examples without any labeled data. These examples not only guide LLM inference but also serve as validation to further enhance tool utilization. Extensive experiments on real-world tasks demonstrate that PLAY2PROMPT significantly improves zero-shot tool performance across both open and closed models, offering a scalable and effective solution for domain-specific tool integration.
comment: ACL 2025 Long Paper (Findings)
♻ ☆ Large Language Models for Multilingual Previously Fact-Checked Claim Detection
In our era of widespread false information, human fact-checkers often face the challenge of duplicating efforts when verifying claims that may have already been addressed in other countries or languages. As false information transcends linguistic boundaries, the ability to automatically detect previously fact-checked claims across languages has become an increasingly important task. This paper presents the first comprehensive evaluation of large language models (LLMs) for multilingual previously fact-checked claim detection. We assess seven LLMs across 20 languages in both monolingual and cross-lingual settings. Our results show that while LLMs perform well for high-resource languages, they struggle with low-resource languages. Moreover, translating original texts into English proved to be beneficial for low-resource languages. These findings highlight the potential of LLMs for multilingual previously fact-checked claim detection and provide a foundation for further research on this promising application of LLMs.
♻ ☆ Sailing by the Stars: A Survey on Reward Models and Learning Strategies for Learning from Rewards
Recent developments in Large Language Models (LLMs) have shifted from pre-training scaling to post-training and test-time scaling. Across these developments, a key unified paradigm has arisen: Learning from Rewards, where reward signals act as the guiding stars to steer LLM behavior. It has underpinned a wide range of prevalent techniques, such as reinforcement learning (RLHF, RLAIF, DPO, and GRPO), reward-guided decoding, and post-hoc correction. Crucially, this paradigm enables the transition from passive learning from static data to active learning from dynamic feedback. This endows LLMs with aligned preferences and deep reasoning capabilities for diverse tasks. In this survey, we present a comprehensive overview of learning from rewards, from the perspective of reward models and learning strategies across training, inference, and post-inference stages. We further discuss the benchmarks for reward models and the primary applications. Finally we highlight the challenges and future directions. We maintain a paper collection at https://github.com/bobxwu/learning-from-rewards-llm-papers.
comment: 36 Pages
♻ ☆ Multi-group Uncertainty Quantification for Long-form Text Generation
While past works have shown how uncertainty quantification can be applied to large language model (LLM) outputs, the question of whether resulting uncertainty guarantees still hold within sub-groupings of data remains open. In our work, given some long-form text generated by an LLM, we study uncertainty at both the level of individual claims contained within the output (via calibration) and across the entire output itself (via conformal prediction). Using biography generation as a testbed for this study, we derive a set of (demographic) attributes (e.g., whether some text describes a man or woman) for each generation to form such "subgroups" of data. We find that although canonical methods for both types of uncertainty quantification perform well when measuring across the entire dataset, such guarantees break down when examining particular subgroups. Having established this issue, we invoke group-conditional methods for uncertainty quantification -- multicalibration and multivalid conformal prediction -- and find that across a variety of approaches, additional subgroup information consistently improves calibration and conformal prediction within subgroups (while crucially retaining guarantees across the entire dataset). As the problems of calibration, conformal prediction, and their multi-group counterparts have not been extensively explored in the context of long-form text generation, we consider these results to form a benchmark for this setting.
comment: Updated to UAI 2025 camera ready version
♻ ☆ Debiasing Watermarks for Large Language Models via Maximal Coupling
Watermarking language models is essential for distinguishing between human and machine-generated text and thus maintaining the integrity and trustworthiness of digital communication. We present a novel green/red list watermarking approach that partitions the token set into ``green'' and ``red'' lists, subtly increasing the generation probability for green tokens. To correct token distribution bias, our method employs maximal coupling, using a uniform coin flip to decide whether to apply bias correction, with the result embedded as a pseudorandom watermark signal. Theoretical analysis confirms this approach's unbiased nature and robust detection capabilities. Experimental results show that it outperforms prior techniques by preserving text quality while maintaining high detectability, and it demonstrates resilience to targeted modifications aimed at improving text quality. This research provides a promising watermarking solution for language models, balancing effective detection with minimal impact on text quality.
comment: To appear in Journal of the American Statistical Association (JASA)
♻ ☆ The Esethu Framework: Reimagining Sustainable Dataset Governance and Curation for Low-Resource Languages
This paper presents the Esethu Framework, a sustainable data curation framework specifically designed to empower local communities and ensure equitable benefit-sharing from their linguistic resource. This framework is supported by the Esethu license, a novel community-centric data license. As a proof of concept, we introduce the Vuk'uzenzele isiXhosa Speech Dataset (ViXSD), an open-source corpus developed under the Esethu Framework and License. The dataset, containing read speech from native isiXhosa speakers enriched with demographic and linguistic metadata, demonstrates how community-driven licensing and curation principles can bridge resource gaps in automatic speech recognition (ASR) for African languages while safeguarding the interests of data creators. We describe the framework guiding dataset development, outline the Esethu license provisions, present the methodology for ViXSD, and present ASR experiments validating ViXSD's usability in building and refining voice-driven applications for isiXhosa.
♻ ☆ Chain-of-Code Collapse: Reasoning Failures in LLMs via Adversarial Prompting in Code Generation
Large Language Models (LLMs) have achieved remarkable success in tasks requiring complex reasoning, such as code generation, mathematical problem solving, and algorithmic synthesis -- especially when aided by reasoning tokens and Chain-of-Thought prompting. Yet, a core question remains: do these models truly reason, or do they merely exploit shallow statistical patterns? In this paper, we introduce Chain-of-Code Collapse, where we systematically investigate the robustness of reasoning LLMs by introducing a suite of semantically faithful yet adversarially structured prompt perturbations. Our evaluation -- spanning 700 perturbed code generations derived from LeetCode-style problems -- applies transformations such as storytelling reframing, irrelevant constraint injection, example reordering, and numeric perturbation. We observe that while certain modifications severely degrade performance (with accuracy drops up to -42.1%), others surprisingly improve model accuracy by up to 35.3%, suggesting sensitivity not only to semantics but also to surface-level prompt dynamics. These findings expose the fragility and unpredictability of current reasoning systems, underscoring the need for more principles approaches to reasoning alignments and prompting robustness. We release our perturbation datasets and evaluation framework to promote further research in trustworthy and resilient LLM reasoning.
♻ ☆ Aspect-Based Opinion Summarization with Argumentation Schemes
Reviews are valuable resources for customers making purchase decisions in online shopping. However, it is impractical for customers to go over the vast number of reviews and manually conclude the prominent opinions, which prompts the need for automated opinion summarization systems. Previous approaches, either extractive or abstractive, face challenges in automatically producing grounded aspect-centric summaries. In this paper, we propose a novel summarization system that not only captures predominant opinions from an aspect perspective with supporting evidence, but also adapts to varying domains without relying on a pre-defined set of aspects. Our proposed framework, ASESUM, summarizes viewpoints relevant to the critical aspects of a product by extracting aspect-centric arguments and measuring their salience and validity. We conduct experiments on a real-world dataset to demonstrate the superiority of our approach in capturing diverse perspectives of the original reviews compared to new and existing methods.
comment: Accepted by ArgMining 2025
♻ ☆ Great Models Think Alike and this Undermines AI Oversight
As Language Model (LM) capabilities advance, evaluating and supervising them at scale is getting harder for humans. There is hope that other language models can automate both these tasks, which we refer to as ''AI Oversight''. We study how model similarity affects both aspects of AI oversight by proposing Chance Adjusted Probabilistic Agreement (CAPA): a metric for LM similarity based on overlap in model mistakes. Using CAPA, we first show that LLM-as-a-judge scores favor models similar to the judge, generalizing recent self-preference results. Then, we study training on LM annotations, and find complementary knowledge between the weak supervisor and strong student model plays a crucial role in gains from ''weak-to-strong generalization''. As model capabilities increase, it becomes harder to find their mistakes, and we might defer more to AI oversight. However, we observe a concerning trend -- model mistakes are becoming more similar with increasing capabilities, pointing to risks from correlated failures. Our work underscores the importance of reporting and correcting for model similarity, especially in the emerging paradigm of AI oversight.
comment: 60 pages, 20 figures
♻ ☆ Persistent Topological Features in Large Language Models ICML 2025
Understanding the decision-making processes of large language models is critical given their widespread applications. To achieve this, we aim to connect a formal mathematical framework -- zigzag persistence from topological data analysis -- with practical and easily applicable algorithms. Zigzag persistence is particularly effective for characterizing data as it dynamically transforms across model layers. Within this framework, we introduce topological descriptors that measure how topological features, $p$-dimensional holes, persist and evolve throughout the layers. Unlike methods that assess each layer individually and then aggregate the results, our approach directly tracks the full evolutionary path of these features. This offers a statistical perspective on how prompts are rearranged and their relative positions changed in the representation space, providing insights into the system's operation as an integrated whole. To demonstrate the expressivity and applicability of our framework, we highlight how sensitive these descriptors are to different models and a variety of datasets. As a showcase application to a downstream task, we use zigzag persistence to establish a criterion for layer pruning, achieving results comparable to state-of-the-art methods while preserving the system-level perspective.
comment: 10+6 pages, 7 figures, 1 table. Accepted as poster at ICML 2025
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data are available at https://github.com/yuleiqin/RAIF.
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ PRSA: Prompt Stealing Attacks against Real-World Prompt Services
Recently, large language models (LLMs) have garnered widespread attention for their exceptional capabilities. Prompts are central to the functionality and performance of LLMs, making them highly valuable assets. The increasing reliance on high-quality prompts has driven significant growth in prompt services. However, this growth also expands the potential for prompt leakage, increasing the risk that attackers could replicate original functionalities, create competing products, and severely infringe on developers' intellectual property. Despite these risks, prompt leakage in real-world prompt services remains underexplored. In this paper, we present PRSA, a practical attack framework designed for prompt stealing. PRSA infers the detailed intent of prompts through very limited input-output analysis and can successfully generate stolen prompts that replicate the original functionality. Extensive evaluations demonstrate PRSA's effectiveness across two main types of real-world prompt services. Specifically, compared to previous works, it improves the attack success rate from 17.8% to 46.1% in prompt marketplaces and from 39% to 52% in LLM application stores, respectively. Notably, in the attack on "Math", one of the most popular educational applications in OpenAI's GPT Store with over 1 million conversations, PRSA uncovered a hidden Easter egg that had not been revealed previously. Besides, our analysis reveals that higher mutual information between a prompt and its output correlates with an increased risk of leakage. This insight guides the design and evaluation of two potential defenses against the security threats posed by PRSA. We have reported these findings to the prompt service vendors, including PromptBase and OpenAI, and actively collaborate with them to implement defensive measures.
comment: This is the extended version of the paper accepted at the 34th USENIX Security Symposium (USENIX Security 2025)
♻ ☆ FedRAG: A Framework for Fine-Tuning Retrieval-Augmented Generation Systems ICML 2025
Retrieval-augmented generation (RAG) systems have been shown to be effective in addressing many of the drawbacks of relying solely on the parametric memory of large language models. Recent work has demonstrated that RAG systems can be improved via fine-tuning of their retriever and generator models. In this work, we introduce FedRAG, a framework for fine-tuning RAG systems across centralized and federated architectures. FedRAG supports state-of-the-art fine-tuning methods, offering a simple and intuitive interface and a seamless conversion from centralized to federated training tasks. FedRAG is also deeply integrated with the modern RAG ecosystem, filling a critical gap in available tools.
comment: 9 pages, 4 figures, 2 tables. Accepted for the CODEML Workshop at ICML 2025. Framework code available at https://github.com/VectorInstitute/fed-rag
♻ ☆ SelectLLM: Query-Aware Efficient Selection Algorithm for Large Language Models
Large language models (LLMs) have been widely adopted due to their remarkable performance across various applications, driving the accelerated development of a large number of diverse models. However, these individual LLMs show limitations in generalization and performance on complex tasks due to inherent training biases, model size constraints, and the quality or diversity of pre-training datasets. A promising direction is to efficiently harness the diverse capabilities of LLMs to overcome these individual limitations. To address these limitations, we introduce a novel LLM selection algorithm called SelectLLM, which efficiently directs input queries to the most suitable subset of LLMs from a large pool, ensuring that the selected models collectively provide accurate responses. SelectLLM employs a multi-label classifier and policy based on the classifier's predictions and confidence scores in selecting an optimal, query-aware, and lightweight subset of LLMs. Our findings indicate that the proposed model outperforms existing ensemble-based baselines and achieves competitive performance with similarly sized top-performing LLMs while maintaining efficiency. Specifically, it achieves a huge reduction in inference latency on two challenging reasoning benchmarks: 13\% on GSM8K and 70\% on MMLU, compared to the top-performing baseline. Also, we establish a theoretical upper bound by an Oracle with LLMs and perform an in-depth linguistic analysis to understand the performance gap between the Oracle and SelectLLM.
comment: 9 pages
♻ ☆ Did I Faithfully Say What I Thought? Bridging the Gap Between Neural Activity and Self-Explanations in Large Language Models
Large Language Models (LLM) have demonstrated the capability of generating free text self Natural Language Explanation (self-NLE) to justify their answers. Despite their logical appearance, self-NLE do not necessarily reflect the LLM actual decision-making process, making such explanations unfaithful. While existing methods for measuring self-NLE faithfulness mostly rely on behavioral tests or computational block identification, none of them examines the neural activity underlying the model's reasoning. This work introduces a novel flexible framework for quantitatively measuring the faithfulness of LLM-generated self-NLE by directly comparing the latter with interpretations of the model's internal hidden states. The proposed framework is versatile and provides deep insights into self-NLE faithfulness by establishing a direct connection between self-NLE and model reasoning. This approach advances the understanding of self-NLE faithfulness and provides building blocks for generating more faithful self-NLE.
♻ ☆ CoRT: Code-integrated Reasoning within Thinking
Large Reasoning Models (LRMs) like o1 and DeepSeek-R1 have shown remarkable progress in natural language reasoning with long chain-of-thought (CoT), yet they remain inefficient or inaccurate when handling complex mathematical operations. Addressing these limitations through computational tools (e.g., computation libraries and symbolic solvers) is promising, but it introduces a technical challenge: Code Interpreter (CI) brings external knowledge beyond the model's internal text representations, thus the direct combination is not efficient. This paper introduces CoRT, a post-training framework for teaching LRMs to leverage CI effectively and efficiently. As a first step, we address the data scarcity issue by synthesizing code-integrated reasoning data through Hint-Engineering, which strategically inserts different hints at appropriate positions to optimize LRM-CI interaction. We manually create 30 high-quality samples, upon which we post-train models ranging from 1.5B to 32B parameters, with supervised fine-tuning, rejection fine-tuning and reinforcement learning. Our experimental results demonstrate that Hint-Engineering models achieve 4\% and 8\% absolute improvements on DeepSeek-R1-Distill-Qwen-32B and DeepSeek-R1-Distill-Qwen-1.5B respectively, across five challenging mathematical reasoning datasets. Furthermore, Hint-Engineering models use about 30\% fewer tokens for the 32B model and 50\% fewer tokens for the 1.5B model compared with the natural language models. The models and code are available at https://github.com/ChengpengLi1003/CoRT.
comment: work in progress
♻ ☆ Identifying Reliable Evaluation Metrics for Scientific Text Revision ACL 2025
Evaluating text revision in scientific writing remains a challenge, as traditional metrics such as ROUGE and BERTScore primarily focus on similarity rather than capturing meaningful improvements. In this work, we analyse and identify the limitations of these metrics and explore alternative evaluation methods that better align with human judgments. We first conduct a manual annotation study to assess the quality of different revisions. Then, we investigate reference-free evaluation metrics from related NLP domains. Additionally, we examine LLM-as-a-judge approaches, analysing their ability to assess revisions with and without a gold reference. Our results show that LLMs effectively assess instruction-following but struggle with correctness, while domain-specific metrics provide complementary insights. We find that a hybrid approach combining LLM-as-a-judge evaluation and task-specific metrics offers the most reliable assessment of revision quality.
comment: V3 contains only the English version, accepted to ACL 2025 main (26 pages). V2 contains both English (ACL 2025) and French (TALN 2025) versions (58 pages)
♻ ☆ ConfPO: Exploiting Policy Model Confidence for Critical Token Selection in Preference Optimization ICML 2025
We introduce ConfPO, a method for preference learning in Large Language Models (LLMs) that identifies and optimizes preference-critical tokens based solely on the training policy's confidence, without requiring any auxiliary models or compute. Unlike prior Direct Alignment Algorithms (DAAs) such as Direct Preference Optimization (DPO), which uniformly adjust all token probabilities regardless of their relevance to preference, ConfPO focuses optimization on the most impactful tokens. This targeted approach improves alignment quality while mitigating overoptimization (i.e., reward hacking) by using the KL divergence budget more efficiently. In contrast to recent token-level methods that rely on credit-assignment models or AI annotators, raising concerns about scalability and reliability, ConfPO is simple, lightweight, and model-free. Experimental results on challenging alignment benchmarks, including AlpacaEval 2 and Arena-Hard, demonstrate that ConfPO consistently outperforms uniform DAAs across various LLMs, delivering better alignment with zero additional computational overhead.
comment: ICML 2025
♻ ☆ IPA-CHILDES & G2P+: Feature-Rich Resources for Cross-Lingual Phonology and Phonemic Language Modeling
In this paper, we introduce two resources: (i) G2P+, a tool for converting orthographic datasets to a consistent phonemic representation; and (ii) IPA CHILDES, a phonemic dataset of child-centered speech across 31 languages. Prior tools for grapheme-to-phoneme conversion result in phonemic vocabularies that are inconsistent with established phonemic inventories, an issue which G2P+ addresses by leveraging the inventories in the Phoible database. Using this tool, we augment CHILDES with phonemic transcriptions to produce IPA CHILDES. This new resource fills several gaps in existing phonemic datasets, which often lack multilingual coverage, spontaneous speech, and a focus on child-directed language. We demonstrate the utility of this dataset for phonological research by training phoneme language models on 11 languages and probing them for distinctive features, finding that the distributional properties of phonemes are sufficient to learn major class and place features cross-lingually.
comment: Accepted to CoNLL 2025
♻ ☆ Pragmatics in the Era of Large Language Models: A Survey on Datasets, Evaluation, Opportunities and Challenges ACL 2025
Understanding pragmatics-the use of language in context-is crucial for developing NLP systems capable of interpreting nuanced language use. Despite recent advances in language technologies, including large language models, evaluating their ability to handle pragmatic phenomena such as implicatures and references remains challenging. To advance pragmatic abilities in models, it is essential to understand current evaluation trends and identify existing limitations. In this survey, we provide a comprehensive review of resources designed for evaluating pragmatic capabilities in NLP, categorizing datasets by the pragmatic phenomena they address. We analyze task designs, data collection methods, evaluation approaches, and their relevance to real-world applications. By examining these resources in the context of modern language models, we highlight emerging trends, challenges, and gaps in existing benchmarks. Our survey aims to clarify the landscape of pragmatic evaluation and guide the development of more comprehensive and targeted benchmarks, ultimately contributing to more nuanced and context-aware NLP models.
comment: ACL 2025
♻ ☆ BabyLM's First Words: Word Segmentation as a Phonological Probing Task
Language models provide a key framework for studying linguistic theories based on prediction, but phonological analysis using large language models (LLMs) is difficult; there are few phonological benchmarks beyond English and the standard input representation used in LLMs (subwords of graphemes) is not suitable for analyzing the representation of phonemes. In this work, we demonstrate how word segmentation can be used as a phonological probing task, allowing us to study the representations learned by phoneme-based language models trained on child-directed speech across 31 languages. Following computational models of word segmentation, we present unsupervised methods for extracting word boundaries from a trained model using the observation that prediction-error peaks at the start of words. We also use linear probes to identify that these models implicitly track word boundaries, even when they do not appear in training. This cross-lingual work corroborates statistical learning theories of acquisition and empirically motivates new methods for training subword tokenizers.
comment: Accepted to CoNLL 2025
♻ ☆ Human and LLM Biases in Hate Speech Annotations: A Socio-Demographic Analysis of Annotators and Targets AAAI
The rise of online platforms exacerbated the spread of hate speech, demanding scalable and effective detection. However, the accuracy of hate speech detection systems heavily relies on human-labeled data, which is inherently susceptible to biases. While previous work has examined the issue, the interplay between the characteristics of the annotator and those of the target of the hate are still unexplored. We fill this gap by leveraging an extensive dataset with rich socio-demographic information of both annotators and targets, uncovering how human biases manifest in relation to the target's attributes. Our analysis surfaces the presence of widespread biases, which we quantitatively describe and characterize based on their intensity and prevalence, revealing marked differences. Furthermore, we compare human biases with those exhibited by persona-based LLMs. Our findings indicate that while persona-based LLMs do exhibit biases, these differ significantly from those of human annotators. Overall, our work offers new and nuanced results on human biases in hate speech annotations, as well as fresh insights into the design of AI-driven hate speech detection systems.
comment: Article published in ICWSM'25 - 19th AAAI Conference on Web and Social Media. Please, cite the published version
♻ ☆ Reinforcing Multimodal Understanding and Generation with Dual Self-rewards
Building upon large language models (LLMs), recent large multimodal models (LMMs) unify cross-model understanding and generation into a single framework. However, LMMs still struggle to achieve accurate image-text alignment, prone to generating text responses contradicting the visual input or failing to follow the text-to-image prompts. Current solutions require external supervision (e.g., human feedback or reward models) and only address unidirectional tasks-either understanding or generation. In this work, based on the observation that understanding and generation are inverse dual tasks, we introduce a self-supervised dual reward mechanism to reinforce the understanding and generation capabilities of LMMs. Specifically, we sample multiple outputs for a given input in one task domain, then reverse the input-output pairs to compute the dual likelihood of the model as self-rewards for optimization. Extensive experimental results on visual understanding and generation benchmarks demonstrate that our method can effectively enhance the performance of the model without any external supervision, especially achieving remarkable improvements in text-to-image tasks.
♻ ☆ Obliviate: Efficient Unmemorization for Protecting Intellectual Property in Large Language Models
Recent copyright agreements between AI companies and content creators underscore the need for fine-grained control over language models' ability to reproduce copyrighted text. Existing defenses-ranging from aggressive unlearning to simplistic output filters-either sacrifice model utility or inadequately address verbatim leakage. We introduce Obliviate, a lightweight post-training method that surgically suppresses exact reproduction of specified sequences while preserving semantic understanding. Obliviate first identifies memorized passages and then, for each target token, minimally adjusts the model's output distribution via a Kullback-Leibler divergence penalty to drive down the probability of exact reproduction. Simultaneously, we enforce a consistency loss on non-target tokens to retain the model's fluency and task performance. We evaluate Obliviate on four popular 6-8B-parameter models (LLaMA-3.1, LLaMA-3.1-Instruct, Qwen-2.5, and Yi-1.5) using synthetic memorization benchmarks and organic copyrighted excerpts (e.g., Moby Dick, Frankenstein, Alice in Wonderland and Les Miserables). Across all settings, Obliviate reduces verbatim recall by two orders of magnitude (e.g., from hundreds of words to fewer than 12) while degrading downstream accuracy by at most 1% on HellaSwag, MMLU, TruthfulQA, and Winogrande. Furthermore, we benchmark Obliviate aganist different unlearning and copyright techniques using the MUSE and CoTaEval benchmarks. These results position Obliviate as a practical, high-fidelity solution for copyright compliance in deployed LLMs.
♻ ☆ Measuring Chain of Thought Faithfulness by Unlearning Reasoning Steps
When prompted to think step-by-step, language models (LMs) produce a chain of thought (CoT), a sequence of reasoning steps that the model supposedly used to produce its prediction. Despite much work on CoT prompting, it is unclear if reasoning verbalized in a CoT is faithful to the models' parametric beliefs. We introduce a framework for measuring parametric faithfulness of generated reasoning, and propose Faithfulness by Unlearning Reasoning steps (FUR), an instance of this framework. FUR erases information contained in reasoning steps from model parameters, and measures faithfulness as the resulting effect on the model's prediction. Our experiments with four LMs and five multi-hop multi-choice question answering (MCQA) datasets show that FUR is frequently able to precisely change the underlying models' prediction for a given instance by unlearning key steps, indicating when a CoT is parametrically faithful. Further analysis shows that CoTs generated by models post-unlearning support different answers, hinting at a deeper effect of unlearning.
♻ ☆ Mind the Style Gap: Meta-Evaluation of Style and Attribute Transfer Metrics
Large language models (LLMs) make it easy to rewrite a text in any style -- e.g. to make it more polite, persuasive, or more positive -- but evaluation thereof is not straightforward. A challenge lies in measuring content preservation: that content not attributable to style change is retained. This paper presents a large meta-evaluation of metrics for evaluating style and attribute transfer, focusing on content preservation. We find that meta-evaluation studies on existing datasets lead to misleading conclusions about the suitability of metrics for content preservation. Widely used metrics show a high correlation with human judgments despite being deemed unsuitable for the task -- because they do not abstract from style changes when evaluating content preservation. We show that the overly high correlations with human judgment stem from the nature of the test data. To address this issue, we introduce a new, challenging test set specifically designed for evaluating content preservation metrics for style transfer. Using this dataset, we demonstrate that suitable metrics for content preservation for style transfer indeed are style-aware. To support efficient evaluation, we propose a new style-aware method that utilises small language models, obtaining a higher alignment with human judgements than prompting a model of a similar size as an autorater.
♻ ☆ TransXSSM: A Hybrid Transformer State Space Model with Unified Rotary Position Embedding
Transformers exhibit proficiency in capturing long-range dependencies, whereas State Space Models (SSMs) facilitate linear-time sequence modeling. Notwithstanding their synergistic potential, the integration of these architectures presents a significant challenge, primarily attributable to a fundamental incongruity in their respective positional encoding mechanisms: Transformers rely on explicit Rotary Position Embeddings (RoPE), while SSMs leverage implicit positional representations via convolutions. This divergence often precipitates discontinuities and suboptimal performance. To address this impediment, we propose a unified rotary position embedding (Unified RoPE) methodology, thereby establishing a consistent positional encoding framework for both self-attention and state-space components. Using this Unified RoPE, we introduce TransXSSM, a hybrid architecture that coherently integrates the Transformer and SSM layers under this unified positional encoding scheme. At a 4K sequence length, TransXSSM exhibits training and inference speeds that are 42.3\% and 29.5\% faster, respectively, relative to standard Transformer models. It also delivers higher accuracy: under comparable settings, it surpasses a Transformer baseline by over 4\% on language modeling benchmarks.TransXSSM furthermore scales more effectively: TransXSSM-1.3B gains 7.22\% in average accuracy over its 320M version (versus about 6\% gains for equivalent Transformers or SSMs). Our results show that unified positional encoding resolves positional incompatibility in hybrid models, enabling efficient, high-performance long-context modeling.
♻ ☆ Towards Large Language Models with Self-Consistent Natural Language Explanations
Large language models (LLMs) seem to offer an easy path to interpretability: just ask them to explain their decisions. Yet, studies show that these post-hoc explanations often misrepresent the true decision process, as revealed by mismatches in feature importance. Despite growing evidence of this inconsistency, no systematic solutions have emerged, partly due to the high cost of estimating feature importance, which limits evaluations to small datasets. To address this, we introduce the Post-hoc Self-Consistency Bank (PSCB) - a large-scale benchmark of decisions spanning diverse tasks and models, each paired with LLM-generated explanations and corresponding feature importance scores. Analysis of PSCB reveals that self-consistency scores barely differ between correct and incorrect predictions. We also show that the standard metric fails to meaningfully distinguish between explanations. To overcome this limitation, we propose an alternative metric that more effectively captures variation in explanation quality. We use it to fine-tune LLMs via Direct Preference Optimization (DPO), leading to significantly better alignment between explanations and decision-relevant features, even under domain shift. Our findings point to a scalable path toward more trustworthy, self-consistent LLMs.
♻ ☆ IndoToxic2024: A Demographically-Enriched Dataset of Hate Speech and Toxicity Types for Indonesian Language
Hate speech poses a significant threat to social harmony. Over the past two years, Indonesia has seen a ten-fold increase in the online hate speech ratio, underscoring the urgent need for effective detection mechanisms. However, progress is hindered by the limited availability of labeled data for Indonesian texts. The condition is even worse for marginalized minorities, such as Shia, LGBTQ, and other ethnic minorities because hate speech is underreported and less understood by detection tools. Furthermore, the lack of accommodation for subjectivity in current datasets compounds this issue. To address this, we introduce IndoToxic2024, a comprehensive Indonesian hate speech and toxicity classification dataset. Comprising 43,692 entries annotated by 19 diverse individuals, the dataset focuses on texts targeting vulnerable groups in Indonesia, specifically during the hottest political event in the country: the presidential election. We establish baselines for seven binary classification tasks, achieving a macro-F1 score of 0.78 with a BERT model (IndoBERTweet) fine-tuned for hate speech classification. Furthermore, we demonstrate how incorporating demographic information can enhance the zero-shot performance of the large language model, gpt-3.5-turbo. However, we also caution that an overemphasis on demographic information can negatively impact the fine-tuned model performance due to data fragmentation.
comment: This work has been substantially expanded and finalized as IndoDiscourse (see [https://huggingface.co/datasets/Exqrch/IndoDiscourse]). IndoToxic should be considered a draft/precursor version and is no longer maintained
♻ ☆ VScan: Rethinking Visual Token Reduction for Efficient Large Vision-Language Models
Recent Large Vision-Language Models (LVLMs) have advanced multi-modal understanding by incorporating finer-grained visual perception and encoding. However, such methods incur significant computational costs due to longer visual token sequences, posing challenges for real-time deployment. To mitigate this, prior studies have explored pruning unimportant visual tokens either at the output layer of the visual encoder or at the early layers of the language model. In this work, we revisit these design choices and reassess their effectiveness through comprehensive empirical studies of how visual tokens are processed throughout the visual encoding and language decoding stages. Guided by these insights, we propose VScan, a two-stage visual token reduction framework that addresses token redundancy by: (1) integrating complementary global and local scans with token merging during visual encoding, and (2) introducing pruning at intermediate layers of the language model. Extensive experimental results across four LVLMs validate the effectiveness of VScan in accelerating inference and demonstrate its superior performance over current state-of-the-arts on sixteen benchmarks. Notably, when applied to LLaVA-NeXT-7B, VScan achieves a 2.91$\times$ speedup in prefilling and a 10$\times$ reduction in FLOPs, while retaining 95.4\% of the original performance. Code is available at https://github.com/Tencent/SelfEvolvingAgent/tree/main/VScan.
comment: Changes from v1: Uploaded code link and fixed minor typos
♻ ☆ Social Bias Benchmark for Generation: A Comparison of Generation and QA-Based Evaluations ACL
Measuring social bias in large language models (LLMs) is crucial, but existing bias evaluation methods struggle to assess bias in long-form generation. We propose a Bias Benchmark for Generation (BBG), an adaptation of the Bias Benchmark for QA (BBQ), designed to evaluate social bias in long-form generation by having LLMs generate continuations of story prompts. Building our benchmark in English and Korean, we measure the probability of neutral and biased generations across ten LLMs. We also compare our long-form story generation evaluation results with multiple-choice BBQ evaluation, showing that the two approaches produce inconsistent results.
comment: ACL-Findings 2025
♻ ☆ CheMatAgent: Enhancing LLMs for Chemistry and Materials Science through Tree-Search Based Tool Learning
Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To address these issues, we propose an LLM-based agent that synergistically integrates 137 external chemical tools created ranging from basic information retrieval to complex reaction predictions, and a dataset curation pipeline to generate the dataset ChemToolBench that facilitates both effective tool selection and precise parameter filling during fine-tuning and evaluation. We introduce a Hierarchical Evolutionary Monte Carlo Tree Search (HE-MCTS) framework, enabling independent optimization of tool planning and execution. By leveraging self-generated data, our approach supports step-level fine-tuning (FT) of the policy model and training task-adaptive PRM and ORM that surpass GPT-4o. Experimental evaluations demonstrate that our approach significantly improves performance in Chemistry QA and discovery tasks, offering a robust solution to integrate specialized tools with LLMs for advanced chemical applications. All datasets and code are available at https://github.com/AI4Chem/ChemistryAgent .
comment: 15 pages, 6 figures
♻ ☆ ConvD: Attention Enhanced Dynamic Convolutional Embeddings for Knowledge Graph Completion
Knowledge graphs often suffer from incompleteness issues, which can be alleviated through information completion. However, current state-of-the-art deep knowledge convolutional embedding models rely on external convolution kernels and conventional convolution processes, which limits the feature interaction capability of the model. This paper introduces a novel dynamic convolutional embedding model, ConvD, which directly reshapes relation embeddings into multiple internal convolution kernels. This approach effectively enhances the feature interactions between relation embeddings and entity embeddings. Simultaneously, we incorporate a priori knowledge-optimized attention mechanism that assigns different contribution weight coefficients to the multiple relation convolution kernels in dynamic convolution, further boosting the expressive power of the model. Extensive experiments on various datasets show that our proposed model consistently outperforms the state-of-the-art baseline methods, with average improvements ranging from 3.28% to 14.69% across all model evaluation metrics, while the number of parameters is reduced by 50.66% to 85.40% compared to other state-of-the-art models.
♻ ☆ iQUEST: An Iterative Question-Guided Framework for Knowledge Base Question Answering ACL 2025
While Large Language Models (LLMs) excel at many natural language processing tasks, they often suffer from factual inaccuracies in knowledge-intensive scenarios. Integrating external knowledge resources, particularly knowledge graphs (KGs), provides a transparent and updatable foundation for more reliable reasoning. Knowledge Base Question Answering (KBQA), which queries and reasons over KGs, is central to this effort, especially for complex, multi-hop queries. However, multi-hop reasoning poses two key challenges: (1)~maintaining coherent reasoning paths, and (2)~avoiding prematurely discarding critical multi-hop connections. To address these issues, we introduce iQUEST, a question-guided KBQA framework that iteratively decomposes complex queries into simpler sub-questions, ensuring a structured and focused reasoning trajectory. Additionally, we integrate a Graph Neural Network (GNN) to look ahead and incorporate 2-hop neighbor information at each reasoning step. This dual approach strengthens the reasoning process, enabling the model to explore viable paths more effectively. Detailed experiments demonstrate the consistent improvement delivered by iQUEST across four benchmark datasets and four LLMs.
comment: Accepted to the 63rd Annual Meeting of the Association for Computational Linguistics (ACL 2025), Main Track
♻ ☆ AgentThink: A Unified Framework for Tool-Augmented Chain-of-Thought Reasoning in Vision-Language Models for Autonomous Driving
Vision-Language Models (VLMs) show promise for autonomous driving, yet their struggle with hallucinations, inefficient reasoning, and limited real-world validation hinders accurate perception and robust step-by-step reasoning. To overcome this, we introduce AgentThink, a pioneering unified framework that, for the first time, integrates Chain-of-Thought (CoT) reasoning with dynamic, agent-style tool invocation for autonomous driving tasks. AgentThink's core innovations include: (i) Structured Data Generation, by establishing an autonomous driving tool library to automatically construct structured, self-verified reasoning data explicitly incorporating tool usage for diverse driving scenarios; (ii) A Two-stage Training Pipeline, employing Supervised Fine-Tuning (SFT) with Group Relative Policy Optimization (GRPO) to equip VLMs with the capability for autonomous tool invocation; and (iii) Agent-style Tool-Usage Evaluation, introducing a novel multi-tool assessment protocol to rigorously evaluate the model's tool invocation and utilization. Experiments on the DriveLMM-o1 benchmark demonstrate AgentThink significantly boosts overall reasoning scores by 53.91% and enhances answer accuracy by 33.54%, while markedly improving reasoning quality and consistency. Furthermore, ablation studies and robust zero-shot/few-shot generalization experiments across various benchmarks underscore its powerful capabilities. These findings highlight a promising trajectory for developing trustworthy and tool-aware autonomous driving models.
comment: 18 pages, 8 figures
♻ ☆ On Many-Shot In-Context Learning for Long-Context Evaluation ACL 2025
Many-shot in-context learning (ICL) has emerged as a unique setup to both utilize and test the ability of large language models to handle long context. This paper delves into long-context language model (LCLM) evaluation through many-shot ICL. We first ask: what types of ICL tasks benefit from additional demonstrations, and how effective are they in evaluating LCLMs? We find that classification and summarization tasks show performance improvements with additional demonstrations, while translation and reasoning tasks do not exhibit clear trends. Next, we investigate the extent to which different tasks necessitate retrieval versus global context understanding. We develop metrics to categorize ICL tasks into two groups: (i) similar-sample learning (SSL): tasks where retrieval of the most similar examples is sufficient for good performance, and (ii) all-sample learning (ASL): tasks that necessitate a deeper comprehension of all examples in the prompt. Lastly, we introduce a new many-shot ICL benchmark, MANYICLBENCH, to characterize model's ability on both fronts and benchmark 12 LCLMs using MANYICLBENCH. We find that while state-of-the-art models demonstrate good performance up to 64k tokens in SSL tasks, many models experience significant performance drops at only 16k tokens in ASL tasks.
comment: ACL 2025 Main Conference
♻ ☆ A Minimalist Approach to LLM Reasoning: from Rejection Sampling to Reinforce
Reinforcement learning (RL) has become a prevailing approach for fine-tuning large language models (LLMs) on complex reasoning tasks. Among recent methods, GRPO stands out for its empirical success in training models such as DeepSeek-R1, yet the sources of its effectiveness remain poorly understood. In this work, we revisit GRPO from a reinforce-like algorithm perspective and analyze its core components. Surprisingly, we find that a simple rejection sampling baseline, RAFT, which trains only on positively rewarded samples, yields competitive performance than GRPO and PPO. Our ablation studies reveal that GRPO's main advantage arises from discarding prompts with entirely incorrect responses, rather than from its reward normalization. Motivated by this insight, we propose Reinforce-Rej, a minimal extension of policy gradient that filters both entirely incorrect and entirely correct samples. Reinforce-Rej improves KL efficiency and stability, serving as a lightweight yet effective alternative to more complex RL algorithms. We advocate RAFT as a robust and interpretable baseline, and suggest that future advances should focus on more principled designs for incorporating negative samples, rather than relying on them indiscriminately. Our findings provide guidance for future work in reward-based LLM post-training.
Computer Vision and Pattern Recognition 100
☆ SceneCompleter: Dense 3D Scene Completion for Generative Novel View Synthesis
Generative models have gained significant attention in novel view synthesis (NVS) by alleviating the reliance on dense multi-view captures. However, existing methods typically fall into a conventional paradigm, where generative models first complete missing areas in 2D, followed by 3D recovery techniques to reconstruct the scene, which often results in overly smooth surfaces and distorted geometry, as generative models struggle to infer 3D structure solely from RGB data. In this paper, we propose SceneCompleter, a novel framework that achieves 3D-consistent generative novel view synthesis through dense 3D scene completion. SceneCompleter achieves both visual coherence and 3D-consistent generative scene completion through two key components: (1) a geometry-appearance dual-stream diffusion model that jointly synthesizes novel views in RGBD space; (2) a scene embedder that encodes a more holistic scene understanding from the reference image. By effectively fusing structural and textural information, our method demonstrates superior coherence and plausibility in generative novel view synthesis across diverse datasets. Project Page: https://chen-wl20.github.io/SceneCompleter
☆ InstaInpaint: Instant 3D-Scene Inpainting with Masked Large Reconstruction Model
Recent advances in 3D scene reconstruction enable real-time viewing in virtual and augmented reality. To support interactive operations for better immersiveness, such as moving or editing objects, 3D scene inpainting methods are proposed to repair or complete the altered geometry. However, current approaches rely on lengthy and computationally intensive optimization, making them impractical for real-time or online applications. We propose InstaInpaint, a reference-based feed-forward framework that produces 3D-scene inpainting from a 2D inpainting proposal within 0.4 seconds. We develop a self-supervised masked-finetuning strategy to enable training of our custom large reconstruction model (LRM) on the large-scale dataset. Through extensive experiments, we analyze and identify several key designs that improve generalization, textural consistency, and geometric correctness. InstaInpaint achieves a 1000x speed-up from prior methods while maintaining a state-of-the-art performance across two standard benchmarks. Moreover, we show that InstaInpaint generalizes well to flexible downstream applications such as object insertion and multi-region inpainting. More video results are available at our project page: https://dhmbb2.github.io/InstaInpaint_page/.
☆ Fine-Grained Perturbation Guidance via Attention Head Selection
Recent guidance methods in diffusion models steer reverse sampling by perturbing the model to construct an implicit weak model and guide generation away from it. Among these approaches, attention perturbation has demonstrated strong empirical performance in unconditional scenarios where classifier-free guidance is not applicable. However, existing attention perturbation methods lack principled approaches for determining where perturbations should be applied, particularly in Diffusion Transformer (DiT) architectures where quality-relevant computations are distributed across layers. In this paper, we investigate the granularity of attention perturbations, ranging from the layer level down to individual attention heads, and discover that specific heads govern distinct visual concepts such as structure, style, and texture quality. Building on this insight, we propose "HeadHunter", a systematic framework for iteratively selecting attention heads that align with user-centric objectives, enabling fine-grained control over generation quality and visual attributes. In addition, we introduce SoftPAG, which linearly interpolates each selected head's attention map toward an identity matrix, providing a continuous knob to tune perturbation strength and suppress artifacts. Our approach not only mitigates the oversmoothing issues of existing layer-level perturbation but also enables targeted manipulation of specific visual styles through compositional head selection. We validate our method on modern large-scale DiT-based text-to-image models including Stable Diffusion 3 and FLUX.1, demonstrating superior performance in both general quality enhancement and style-specific guidance. Our work provides the first head-level analysis of attention perturbation in diffusion models, uncovering interpretable specialization within attention layers and enabling practical design of effective perturbation strategies.
comment: Project page: https://cvlab-kaist.github.io/HeadHunter/
☆ QuadricFormer: Scene as Superquadrics for 3D Semantic Occupancy Prediction
3D occupancy prediction is crucial for robust autonomous driving systems as it enables comprehensive perception of environmental structures and semantics. Most existing methods employ dense voxel-based scene representations, ignoring the sparsity of driving scenes and resulting in inefficiency. Recent works explore object-centric representations based on sparse Gaussians, but their ellipsoidal shape prior limits the modeling of diverse structures. In real-world driving scenes, objects exhibit rich geometries (e.g., cuboids, cylinders, and irregular shapes), necessitating excessive ellipsoidal Gaussians densely packed for accurate modeling, which leads to inefficient representations. To address this, we propose to use geometrically expressive superquadrics as scene primitives, enabling efficient representation of complex structures with fewer primitives through their inherent shape diversity. We develop a probabilistic superquadric mixture model, which interprets each superquadric as an occupancy probability distribution with a corresponding geometry prior, and calculates semantics through probabilistic mixture. Building on this, we present QuadricFormer, a superquadric-based model for efficient 3D occupancy prediction, and introduce a pruning-and-splitting module to further enhance modeling efficiency by concentrating superquadrics in occupied regions. Extensive experiments on the nuScenes dataset demonstrate that QuadricFormer achieves state-of-the-art performance while maintaining superior efficiency.
comment: Project page: https://zuosc19.github.io/QuadricFormer/
☆ GenWorld: Towards Detecting AI-generated Real-world Simulation Videos
The flourishing of video generation technologies has endangered the credibility of real-world information and intensified the demand for AI-generated video detectors. Despite some progress, the lack of high-quality real-world datasets hinders the development of trustworthy detectors. In this paper, we propose GenWorld, a large-scale, high-quality, and real-world simulation dataset for AI-generated video detection. GenWorld features the following characteristics: (1) Real-world Simulation: GenWorld focuses on videos that replicate real-world scenarios, which have a significant impact due to their realism and potential influence; (2) High Quality: GenWorld employs multiple state-of-the-art video generation models to provide realistic and high-quality forged videos; (3) Cross-prompt Diversity: GenWorld includes videos generated from diverse generators and various prompt modalities (e.g., text, image, video), offering the potential to learn more generalizable forensic features. We analyze existing methods and find they fail to detect high-quality videos generated by world models (i.e., Cosmos), revealing potential drawbacks of ignoring real-world clues. To address this, we propose a simple yet effective model, SpannDetector, to leverage multi-view consistency as a strong criterion for real-world AI-generated video detection. Experiments show that our method achieves superior results, highlighting a promising direction for explainable AI-generated video detection based on physical plausibility. We believe that GenWorld will advance the field of AI-generated video detection. Project Page: https://chen-wl20.github.io/GenWorld
☆ Eye, Robot: Learning to Look to Act with a BC-RL Perception-Action Loop
Humans do not passively observe the visual world -- we actively look in order to act. Motivated by this principle, we introduce EyeRobot, a robotic system with gaze behavior that emerges from the need to complete real-world tasks. We develop a mechanical eyeball that can freely rotate to observe its surroundings and train a gaze policy to control it using reinforcement learning. We accomplish this by first collecting teleoperated demonstrations paired with a 360 camera. This data is imported into a simulation environment that supports rendering arbitrary eyeball viewpoints, allowing episode rollouts of eye gaze on top of robot demonstrations. We then introduce a BC-RL loop to train the hand and eye jointly: the hand (BC) agent is trained from rendered eye observations, and the eye (RL) agent is rewarded when the hand produces correct action predictions. In this way, hand-eye coordination emerges as the eye looks towards regions which allow the hand to complete the task. EyeRobot implements a foveal-inspired policy architecture allowing high resolution with a small compute budget, which we find also leads to the emergence of more stable fixation as well as improved ability to track objects and ignore distractors. We evaluate EyeRobot on five panoramic workspace manipulation tasks requiring manipulation in an arc surrounding the robot arm. Our experiments suggest EyeRobot exhibits hand-eye coordination behaviors which effectively facilitate manipulation over large workspaces with a single camera. See project site for videos: https://www.eyerobot.net/
comment: Project page: https://www.eyerobot.net/
☆ Beyond Attention or Similarity: Maximizing Conditional Diversity for Token Pruning in MLLMs
In multimodal large language models (MLLMs), the length of input visual tokens is often significantly greater than that of their textual counterparts, leading to a high inference cost. Many works aim to address this issue by removing redundant visual tokens. However, current approaches either rely on attention-based pruning, which retains numerous duplicate tokens, or use similarity-based pruning, overlooking the instruction relevance, consequently causing suboptimal performance. In this paper, we go beyond attention or similarity by proposing a novel visual token pruning method named CDPruner, which maximizes the conditional diversity of retained tokens. We first define the conditional similarity between visual tokens conditioned on the instruction, and then reformulate the token pruning problem with determinantal point process (DPP) to maximize the conditional diversity of the selected subset. The proposed CDPruner is training-free and model-agnostic, allowing easy application to various MLLMs. Extensive experiments across diverse MLLMs show that CDPruner establishes new state-of-the-art on various vision-language benchmarks. By maximizing conditional diversity through DPP, the selected subset better represents the input images while closely adhering to user instructions, thereby preserving strong performance even with high reduction ratios. When applied to LLaVA, CDPruner reduces FLOPs by 95\% and CUDA latency by 78\%, while maintaining 94\% of the original accuracy. Our code is available at https://github.com/Theia-4869/CDPruner.
comment: 22 pages, 5 figures, code: https://github.com/Theia-4869/CDPruner, project page: https://theia-4869.github.io/CDPruner
☆ MMMG: A Massive, Multidisciplinary, Multi-Tier Generation Benchmark for Text-to-Image Reasoning
In this paper, we introduce knowledge image generation as a new task, alongside the Massive Multi-Discipline Multi-Tier Knowledge-Image Generation Benchmark (MMMG) to probe the reasoning capability of image generation models. Knowledge images have been central to human civilization and to the mechanisms of human learning--a fact underscored by dual-coding theory and the picture-superiority effect. Generating such images is challenging, demanding multimodal reasoning that fuses world knowledge with pixel-level grounding into clear explanatory visuals. To enable comprehensive evaluation, MMMG offers 4,456 expert-validated (knowledge) image-prompt pairs spanning 10 disciplines, 6 educational levels, and diverse knowledge formats such as charts, diagrams, and mind maps. To eliminate confounding complexity during evaluation, we adopt a unified Knowledge Graph (KG) representation. Each KG explicitly delineates a target image's core entities and their dependencies. We further introduce MMMG-Score to evaluate generated knowledge images. This metric combines factual fidelity, measured by graph-edit distance between KGs, with visual clarity assessment. Comprehensive evaluations of 16 state-of-the-art text-to-image generation models expose serious reasoning deficits--low entity fidelity, weak relations, and clutter--with GPT-4o achieving an MMMG-Score of only 50.20, underscoring the benchmark's difficulty. To spur further progress, we release FLUX-Reason (MMMG-Score of 34.45), an effective and open baseline that combines a reasoning LLM with diffusion models and is trained on 16,000 curated knowledge image-prompt pairs.
☆ SpectralAR: Spectral Autoregressive Visual Generation
Autoregressive visual generation has garnered increasing attention due to its scalability and compatibility with other modalities compared with diffusion models. Most existing methods construct visual sequences as spatial patches for autoregressive generation. However, image patches are inherently parallel, contradicting the causal nature of autoregressive modeling. To address this, we propose a Spectral AutoRegressive (SpectralAR) visual generation framework, which realizes causality for visual sequences from the spectral perspective. Specifically, we first transform an image into ordered spectral tokens with Nested Spectral Tokenization, representing lower to higher frequency components. We then perform autoregressive generation in a coarse-to-fine manner with the sequences of spectral tokens. By considering different levels of detail in images, our SpectralAR achieves both sequence causality and token efficiency without bells and whistles. We conduct extensive experiments on ImageNet-1K for image reconstruction and autoregressive generation, and SpectralAR achieves 3.02 gFID with only 64 tokens and 310M parameters. Project page: https://huang-yh.github.io/spectralar/.
comment: Project Page: https://huang-yh.github.io/spectralar/
☆ ReGuidance: A Simple Diffusion Wrapper for Boosting Sample Quality on Hard Inverse Problems
There has been a flurry of activity around using pretrained diffusion models as informed data priors for solving inverse problems, and more generally around steering these models using reward models. Training-free methods like diffusion posterior sampling (DPS) and its many variants have offered flexible heuristic algorithms for these tasks, but when the reward is not informative enough, e.g., in hard inverse problems with low signal-to-noise ratio, these techniques veer off the data manifold, failing to produce realistic outputs. In this work, we devise a simple wrapper, ReGuidance, for boosting both the sample realism and reward achieved by these methods. Given a candidate solution $\hat{x}$ produced by an algorithm of the user's choice, we propose inverting the solution by running the unconditional probability flow ODE in reverse starting from $\hat{x}$, and then using the resulting latent as an initialization for DPS. We evaluate our wrapper on hard inverse problems like large box in-painting and super-resolution with high upscaling. Whereas state-of-the-art baselines visibly fail, we find that applying our wrapper on top of these baselines significantly boosts sample quality and measurement consistency. We complement these findings with theory proving that on certain multimodal data distributions, ReGuidance simultaneously boosts the reward and brings the candidate solution closer to the data manifold. To our knowledge, this constitutes the first rigorous algorithmic guarantee for DPS.
comment: 38 pages, 14 figures
☆ VINCIE: Unlocking In-context Image Editing from Video
In-context image editing aims to modify images based on a contextual sequence comprising text and previously generated images. Existing methods typically depend on task-specific pipelines and expert models (e.g., segmentation and inpainting) to curate training data. In this work, we explore whether an in-context image editing model can be learned directly from videos. We introduce a scalable approach to annotate videos as interleaved multimodal sequences. To effectively learn from this data, we design a block-causal diffusion transformer trained on three proxy tasks: next-image prediction, current segmentation prediction, and next-segmentation prediction. Additionally, we propose a novel multi-turn image editing benchmark to advance research in this area. Extensive experiments demonstrate that our model exhibits strong in-context image editing capabilities and achieves state-of-the-art results on two multi-turn image editing benchmarks. Despite being trained exclusively on videos, our model also shows promising abilities in multi-concept composition, story generation, and chain-of-editing applications.
comment: Project page: https://vincie2025.github.io/
☆ Semi-Automated Quality Assurance in Digital Pathology: Tile Classification Approach
Quality assurance is a critical but underexplored area in digital pathology, where even minor artifacts can have significant effects. Artifacts have been shown to negatively impact the performance of AI diagnostic models. In current practice, trained staff manually review digitized images prior to release of these slides to pathologists which are then used to render a diagnosis. Conventional image processing approaches, provide a foundation for detecting artifacts on digital pathology slides. However, current tools do not leverage deep learning, which has the potential to improve detection accuracy and scalability. Despite these advancements, methods for quality assurance in digital pathology remain limited, presenting a gap for innovation. We propose an AI algorithm designed to screen digital pathology slides by analyzing tiles and categorizing them into one of 10 predefined artifact types or as background. This algorithm identifies and localizes artifacts, creating a map that highlights regions of interest. By directing human operators to specific tiles affected by artifacts, the algorithm minimizes the time and effort required to manually review entire slides for quality issues. From internal archives and The Cancer Genome Atlas, 133 whole slide images were selected and 10 artifacts were annotated using an internally developed software ZAPP (Mayo Clinic, Jacksonville, FL). Ablation study of multiple models at different tile sizes and magnification was performed. InceptionResNet was selected. Single artifact models were trained and tested, followed by a limited multiple instance model with artifacts that performed well together (chatter, fold, and pen). From the results of this study we suggest a hybrid design for artifact screening composed of both single artifact binary models as well as multiple instance models to optimize detection of each artifact.
☆ M4V: Multi-Modal Mamba for Text-to-Video Generation
Text-to-video generation has significantly enriched content creation and holds the potential to evolve into powerful world simulators. However, modeling the vast spatiotemporal space remains computationally demanding, particularly when employing Transformers, which incur quadratic complexity in sequence processing and thus limit practical applications. Recent advancements in linear-time sequence modeling, particularly the Mamba architecture, offer a more efficient alternative. Nevertheless, its plain design limits its direct applicability to multi-modal and spatiotemporal video generation tasks. To address these challenges, we introduce M4V, a Multi-Modal Mamba framework for text-to-video generation. Specifically, we propose a multi-modal diffusion Mamba (MM-DiM) block that enables seamless integration of multi-modal information and spatiotemporal modeling through a multi-modal token re-composition design. As a result, the Mamba blocks in M4V reduce FLOPs by 45% compared to the attention-based alternative when generating videos at 768$\times$1280 resolution. Additionally, to mitigate the visual quality degradation in long-context autoregressive generation processes, we introduce a reward learning strategy that further enhances per-frame visual realism. Extensive experiments on text-to-video benchmarks demonstrate M4V's ability to produce high-quality videos while significantly lowering computational costs. Code and models will be publicly available at https://huangjch526.github.io/M4V_project.
☆ AIR: Zero-shot Generative Model Adaptation with Iterative Refinement
Zero-shot generative model adaptation (ZSGM) aims to adapt a pre-trained generator to a target domain using only text guidance and without any samples from the target domain. Central to recent ZSGM approaches are directional loss which use the text guidance in the form of aligning the image offset with text offset in the embedding space of a vision-language model like CLIP. This is similar to the analogical reasoning in NLP where the offset between one pair of words is used to identify a missing element in another pair by aligning the offset between these two pairs. However, a major limitation of existing ZSGM methods is that the learning objective assumes the complete alignment between image offset and text offset in the CLIP embedding space, resulting in quality degrade in generated images. Our work makes two main contributions. Inspired by the offset misalignment studies in NLP, as our first contribution, we perform an empirical study to analyze the misalignment between text offset and image offset in CLIP embedding space for various large publicly available datasets. Our important finding is that offset misalignment in CLIP embedding space is correlated with concept distance, i.e., close concepts have a less offset misalignment. To address the limitations of the current approaches, as our second contribution, we propose Adaptation with Iterative Refinement (AIR) which is the first ZSGM approach to focus on improving target domain image quality based on our new insight on offset misalignment.Qualitative, quantitative, and user study in 26 experiment setups consistently demonstrate the proposed AIR approach achieves SOTA performance. Additional experiments are in Supp.
☆ CreatiPoster: Towards Editable and Controllable Multi-Layer Graphic Design Generation
Graphic design plays a crucial role in both commercial and personal contexts, yet creating high-quality, editable, and aesthetically pleasing graphic compositions remains a time-consuming and skill-intensive task, especially for beginners. Current AI tools automate parts of the workflow, but struggle to accurately incorporate user-supplied assets, maintain editability, and achieve professional visual appeal. Commercial systems, like Canva Magic Design, rely on vast template libraries, which are impractical for replicate. In this paper, we introduce CreatiPoster, a framework that generates editable, multi-layer compositions from optional natural-language instructions or assets. A protocol model, an RGBA large multimodal model, first produces a JSON specification detailing every layer (text or asset) with precise layout, hierarchy, content and style, plus a concise background prompt. A conditional background model then synthesizes a coherent background conditioned on this rendered foreground layers. We construct a benchmark with automated metrics for graphic-design generation and show that CreatiPoster surpasses leading open-source approaches and proprietary commercial systems. To catalyze further research, we release a copyright-free corpus of 100,000 multi-layer designs. CreatiPoster supports diverse applications such as canvas editing, text overlay, responsive resizing, multilingual adaptation, and animated posters, advancing the democratization of AI-assisted graphic design. Project homepage: https://github.com/graphic-design-ai/creatiposter
☆ Med-URWKV: Pure RWKV With ImageNet Pre-training For Medical Image Segmentation
Medical image segmentation is a fundamental and key technology in computer-aided diagnosis and treatment. Previous methods can be broadly classified into three categories: convolutional neural network (CNN) based, Transformer based, and hybrid architectures that combine both. However, each of them has its own limitations, such as restricted receptive fields in CNNs or the computational overhead caused by the quadratic complexity of Transformers. Recently, the Receptance Weighted Key Value (RWKV) model has emerged as a promising alternative for various vision tasks, offering strong long-range modeling capabilities with linear computational complexity. Some studies have also adapted RWKV to medical image segmentation tasks, achieving competitive performance. However, most of these studies focus on modifications to the Vision-RWKV (VRWKV) mechanism and train models from scratch, without exploring the potential advantages of leveraging pre-trained VRWKV models for medical image segmentation tasks. In this paper, we propose Med-URWKV, a pure RWKV-based architecture built upon the U-Net framework, which incorporates ImageNet-based pretraining to further explore the potential of RWKV in medical image segmentation tasks. To the best of our knowledge, Med-URWKV is the first pure RWKV segmentation model in the medical field that can directly reuse a large-scale pre-trained VRWKV encoder. Experimental results on seven datasets demonstrate that Med-URWKV achieves comparable or even superior segmentation performance compared to other carefully optimized RWKV models trained from scratch. This validates the effectiveness of using a pretrained VRWKV encoder in enhancing model performance. The codes will be released.
comment: Preprint Draft, 5 pages. This paper will be updated with a formal version in the future, Copyright: College of Computer Science, Nankai University. All rights reserved
☆ VRBench: A Benchmark for Multi-Step Reasoning in Long Narrative Videos
We present VRBench, the first long narrative video benchmark crafted for evaluating large models' multi-step reasoning capabilities, addressing limitations in existing evaluations that overlook temporal reasoning and procedural validity. It comprises 1,010 long videos (with an average duration of 1.6 hours), along with 9,468 human-labeled multi-step question-answering pairs and 30,292 reasoning steps with timestamps. These videos are curated via a multi-stage filtering process including expert inter-rater reviewing to prioritize plot coherence. We develop a human-AI collaborative framework that generates coherent reasoning chains, each requiring multiple temporally grounded steps, spanning seven types (e.g., event attribution, implicit inference). VRBench designs a multi-phase evaluation pipeline that assesses models at both the outcome and process levels. Apart from the MCQs for the final results, we propose a progress-level LLM-guided scoring metric to evaluate the quality of the reasoning chain from multiple dimensions comprehensively. Through extensive evaluations of 12 LLMs and 16 VLMs on VRBench, we undertake a thorough analysis and provide valuable insights that advance the field of multi-step reasoning.
comment: Technical Report
☆ Post-Training Quantization for Video Matting
Video matting is crucial for applications such as film production and virtual reality, yet deploying its computationally intensive models on resource-constrained devices presents challenges. Quantization is a key technique for model compression and acceleration. As an efficient approach, Post-Training Quantization (PTQ) is still in its nascent stages for video matting, facing significant hurdles in maintaining accuracy and temporal coherence. To address these challenges, this paper proposes a novel and general PTQ framework specifically designed for video matting models, marking, to the best of our knowledge, the first systematic attempt in this domain. Our contributions include: (1) A two-stage PTQ strategy that combines block-reconstruction-based optimization for fast, stable initial quantization and local dependency capture, followed by a global calibration of quantization parameters to minimize accuracy loss. (2) A Statistically-Driven Global Affine Calibration (GAC) method that enables the network to compensate for cumulative statistical distortions arising from factors such as neglected BN layer effects, even reducing the error of existing PTQ methods on video matting tasks up to 20%. (3) An Optical Flow Assistance (OFA) component that leverages temporal and semantic priors from frames to guide the PTQ process, enhancing the model's ability to distinguish moving foregrounds in complex scenes and ultimately achieving near full-precision performance even under ultra-low-bit quantization. Comprehensive quantitative and visual results show that our PTQ4VM achieves the state-of-the-art accuracy performance across different bit-widths compared to the existing quantization methods. We highlight that the 4-bit PTQ4VM even achieves performance close to the full-precision counterpart while enjoying 8x FLOP savings.
☆ Generalist Models in Medical Image Segmentation: A Survey and Performance Comparison with Task-Specific Approaches
Following the successful paradigm shift of large language models, leveraging pre-training on a massive corpus of data and fine-tuning on different downstream tasks, generalist models have made their foray into computer vision. The introduction of Segment Anything Model (SAM) set a milestone on segmentation of natural images, inspiring the design of a multitude of architectures for medical image segmentation. In this survey we offer a comprehensive and in-depth investigation on generalist models for medical image segmentation. We start with an introduction on the fundamentals concepts underpinning their development. Then, we provide a taxonomy on the different declinations of SAM in terms of zero-shot, few-shot, fine-tuning, adapters, on the recent SAM 2, on other innovative models trained on images alone, and others trained on both text and images. We thoroughly analyze their performances at the level of both primary research and best-in-literature, followed by a rigorous comparison with the state-of-the-art task-specific models. We emphasize the need to address challenges in terms of compliance with regulatory frameworks, privacy and security laws, budget, and trustworthy artificial intelligence (AI). Finally, we share our perspective on future directions concerning synthetic data, early fusion, lessons learnt from generalist models in natural language processing, agentic AI and physical AI, and clinical translation.
comment: 132 pages, 26 figures, 23 tables. Andrea Moglia and Matteo Leccardi are equally contributing authors
☆ VideoDeepResearch: Long Video Understanding With Agentic Tool Using
Long video understanding (LVU) presents a significant challenge for current multi-modal large language models (MLLMs) due to the task's inherent complexity and context window constraint. It is widely assumed that addressing LVU tasks requires foundation MLLMs with extended context windows, strong visual perception capabilities, and proficient domain expertise. In this work, we challenge this common belief by introducing VideoDeepResearch, a novel agentic framework for long video understanding. Our approach relies solely on a text-only large reasoning model (LRM) combined with a modular multi-modal toolkit, including multimodal retrievers and visual perceivers, all of which are readily available in practice. For each LVU task, the system formulates a problem-solving strategy through reasoning, while selectively accessing and utilizing essential video content via tool using. We conduct extensive experiments on popular LVU benchmarks, including MLVU, Video-MME, and LVBench. Our results demonstrate that VideoDeepResearch achieves substantial improvements over existing MLLM baselines, surpassing the previous state-of-the-art by 9.6%, 6.6%, and 3.9% on MLVU (test), LVBench, and LongVideoBench, respectively. These findings highlight the promise of agentic systems in overcoming key challenges in LVU problems.
☆ Occlusion-Aware 3D Hand-Object Pose Estimation with Masked AutoEncoders
Hand-object pose estimation from monocular RGB images remains a significant challenge mainly due to the severe occlusions inherent in hand-object interactions. Existing methods do not sufficiently explore global structural perception and reasoning, which limits their effectiveness in handling occluded hand-object interactions. To address this challenge, we propose an occlusion-aware hand-object pose estimation method based on masked autoencoders, termed as HOMAE. Specifically, we propose a target-focused masking strategy that imposes structured occlusion on regions of hand-object interaction, encouraging the model to learn context-aware features and reason about the occluded structures. We further integrate multi-scale features extracted from the decoder to predict a signed distance field (SDF), capturing both global context and fine-grained geometry. To enhance geometric perception, we combine the implicit SDF with an explicit point cloud derived from the SDF, leveraging the complementary strengths of both representations. This fusion enables more robust handling of occluded regions by combining the global context from the SDF with the precise local geometry provided by the point cloud. Extensive experiments on challenging DexYCB and HO3Dv2 benchmarks demonstrate that HOMAE achieves state-of-the-art performance in hand-object pose estimation. We will release our code and model.
comment: 10 pages, 6 figures
☆ Unsupervised Deformable Image Registration with Structural Nonparametric Smoothing
Learning-based deformable image registration (DIR) accelerates alignment by amortizing traditional optimization via neural networks. Label supervision further enhances accuracy, enabling efficient and precise nonlinear alignment of unseen scans. However, images with sparse features amid large smooth regions, such as retinal vessels, introduce aperture and large-displacement challenges that unsupervised DIR methods struggle to address. This limitation occurs because neural networks predict deformation fields in a single forward pass, leaving fields unconstrained post-training and shifting the regularization burden entirely to network weights. To address these issues, we introduce SmoothProper, a plug-and-play neural module enforcing smoothness and promoting message passing within the network's forward pass. By integrating a duality-based optimization layer with tailored interaction terms, SmoothProper efficiently propagates flow signals across spatial locations, enforces smoothness, and preserves structural consistency. It is model-agnostic, seamlessly integrates into existing registration frameworks with minimal parameter overhead, and eliminates regularizer hyperparameter tuning. Preliminary results on a retinal vessel dataset exhibiting aperture and large-displacement challenges demonstrate our method reduces registration error to 1.88 pixels on 2912x2912 images, marking the first unsupervised DIR approach to effectively address both challenges. The source code will be available at https://github.com/tinymilky/SmoothProper.
comment: Accepted for publication at Information Processing in Medical Imaging (IPMI) 2025
☆ Prompts to Summaries: Zero-Shot Language-Guided Video Summarization
The explosive growth of video data intensified the need for flexible user-controllable summarization tools that can operate without domain-specific training data. Existing methods either rely on datasets, limiting generalization, or cannot incorporate user intent expressed in natural language. We introduce Prompts-to-Summaries: the first zero-shot, text-queryable video summarizer that converts off-the-shelf video-language models (VidLMs) captions into user-guided skims via large language models (LLMs) judging, without the use of training data at all, beating all unsupervised and matching supervised methods. Our pipeline (i) segments raw video footage into coherent scenes, (ii) generates rich scene-level descriptions through a memory-efficient, batch-style VidLM prompting scheme that scales to hours-long videos on a single GPU, (iii) leverages an LLM as a judge to assign scene-level importance scores under a carefully crafted prompt, and finally, (iv) propagates those scores to short segments level via two new metrics: consistency (temporal coherency) and uniqueness (novelty), yielding fine-grained frame importance. On SumMe and TVSum, our data-free approach surpasses all prior data-hungry unsupervised methods. It also performs competitively on the Query-Focused Video Summarization (QFVS) benchmark, despite using no training data and the competing methods requiring supervised frame-level importance. To spur further research, we release VidSum-Reason, a new query-driven dataset featuring long-tailed concepts and multi-step reasoning; our framework attains robust F1 scores and serves as the first challenging baseline. Overall, our results demonstrate that pretrained multimodal models, when orchestrated with principled prompting and score propagation, already provide a powerful foundation for universal, text-queryable video summarization.
☆ Modality-AGnostic Image Cascade (MAGIC) for Multi-Modality Cardiac Substructure Segmentation
Cardiac substructures are essential in thoracic radiation therapy planning to minimize risk of radiation-induced heart disease. Deep learning (DL) offers efficient methods to reduce contouring burden but lacks generalizability across different modalities and overlapping structures. This work introduces and validates a Modality-AGnostic Image Cascade (MAGIC) for comprehensive and multi-modal cardiac substructure segmentation. MAGIC is implemented through replicated encoding and decoding branches of an nnU-Net-based, U-shaped backbone conserving the function of a single model. Twenty cardiac substructures (heart, chambers, great vessels (GVs), valves, coronary arteries (CAs), and conduction nodes) from simulation CT (Sim-CT), low-field MR-Linac, and cardiac CT angiography (CCTA) modalities were manually delineated and used to train (n=76), validate (n=15), and test (n=30) MAGIC. Twelve comparison models (four segmentation subgroups across three modalities) were equivalently trained. All methods were compared for training efficiency and against reference contours using the Dice Similarity Coefficient (DSC) and two-tailed Wilcoxon Signed-Rank test (threshold, p<0.05). Average DSC scores were 0.75(0.16) for Sim-CT, 0.68(0.21) for MR-Linac, and 0.80(0.16) for CCTA. MAGIC outperforms the comparison in 57% of cases, with limited statistical differences. MAGIC offers an effective and accurate segmentation solution that is lightweight and capable of segmenting multiple modalities and overlapping structures in a single model. MAGIC further enables clinical implementation by simplifying the computational requirements and offering unparalleled flexibility for clinical settings.
☆ Human-Robot Navigation using Event-based Cameras and Reinforcement Learning
This work introduces a robot navigation controller that combines event cameras and other sensors with reinforcement learning to enable real-time human-centered navigation and obstacle avoidance. Unlike conventional image-based controllers, which operate at fixed rates and suffer from motion blur and latency, this approach leverages the asynchronous nature of event cameras to process visual information over flexible time intervals, enabling adaptive inference and control. The framework integrates event-based perception, additional range sensing, and policy optimization via Deep Deterministic Policy Gradient, with an initial imitation learning phase to improve sample efficiency. Promising results are achieved in simulated environments, demonstrating robust navigation, pedestrian following, and obstacle avoidance. A demo video is available at the project website.
comment: https://ibugueno.github.io/hr-navigation-using-event-cameras-and-rl/
☆ SlotPi: Physics-informed Object-centric Reasoning Models
Understanding and reasoning about dynamics governed by physical laws through visual observation, akin to human capabilities in the real world, poses significant challenges. Currently, object-centric dynamic simulation methods, which emulate human behavior, have achieved notable progress but overlook two critical aspects: 1) the integration of physical knowledge into models. Humans gain physical insights by observing the world and apply this knowledge to accurately reason about various dynamic scenarios; 2) the validation of model adaptability across diverse scenarios. Real-world dynamics, especially those involving fluids and objects, demand models that not only capture object interactions but also simulate fluid flow characteristics. To address these gaps, we introduce SlotPi, a slot-based physics-informed object-centric reasoning model. SlotPi integrates a physical module based on Hamiltonian principles with a spatio-temporal prediction module for dynamic forecasting. Our experiments highlight the model's strengths in tasks such as prediction and Visual Question Answering (VQA) on benchmark and fluid datasets. Furthermore, we have created a real-world dataset encompassing object interactions, fluid dynamics, and fluid-object interactions, on which we validated our model's capabilities. The model's robust performance across all datasets underscores its strong adaptability, laying a foundation for developing more advanced world models.
☆ Stroke-based Cyclic Amplifier: Image Super-Resolution at Arbitrary Ultra-Large Scales
Prior Arbitrary-Scale Image Super-Resolution (ASISR) methods often experience a significant performance decline when the upsampling factor exceeds the range covered by the training data, introducing substantial blurring. To address this issue, we propose a unified model, Stroke-based Cyclic Amplifier (SbCA), for ultra-large upsampling tasks. The key of SbCA is the stroke vector amplifier, which decomposes the image into a series of strokes represented as vector graphics for magnification. Then, the detail completion module also restores missing details, ensuring high-fidelity image reconstruction. Our cyclic strategy achieves ultra-large upsampling by iteratively refining details with this unified SbCA model, trained only once for all, while keeping sub-scales within the training range. Our approach effectively addresses the distribution drift issue and eliminates artifacts, noise and blurring, producing high-quality, high-resolution super-resolved images. Experimental validations on both synthetic and real-world datasets demonstrate that our approach significantly outperforms existing methods in ultra-large upsampling tasks (e.g. $\times100$), delivering visual quality far superior to state-of-the-art techniques.
☆ PosterCraft: Rethinking High-Quality Aesthetic Poster Generation in a Unified Framework
Generating aesthetic posters is more challenging than simple design images: it requires not only precise text rendering but also the seamless integration of abstract artistic content, striking layouts, and overall stylistic harmony. To address this, we propose PosterCraft, a unified framework that abandons prior modular pipelines and rigid, predefined layouts, allowing the model to freely explore coherent, visually compelling compositions. PosterCraft employs a carefully designed, cascaded workflow to optimize the generation of high-aesthetic posters: (i) large-scale text-rendering optimization on our newly introduced Text-Render-2M dataset; (ii) region-aware supervised fine-tuning on HQ-Poster100K; (iii) aesthetic-text-reinforcement learning via best-of-n preference optimization; and (iv) joint vision-language feedback refinement. Each stage is supported by a fully automated data-construction pipeline tailored to its specific needs, enabling robust training without complex architectural modifications. Evaluated on multiple experiments, PosterCraft significantly outperforms open-source baselines in rendering accuracy, layout coherence, and overall visual appeal-approaching the quality of SOTA commercial systems. Our code, models, and datasets can be found in the Project page: https://ephemeral182.github.io/PosterCraft
☆ IQE-CLIP: Instance-aware Query Embedding for Zero-/Few-shot Anomaly Detection in Medical Domain
Recent advances in vision-language models, such as CLIP, have significantly improved performance in zero- and few-shot anomaly detection (ZFSAD) tasks. However, most existing CLIP-based methods assume prior knowledge of categories and rely on carefully designed prompts tailored to specific scenarios. While these text prompts capture semantic information in the textual space, they often fail to distinguish normal and anomalous instances in the joint embedding space. Moreover, most ZFSAD approaches focus on industrial domains, with limited exploration in medical tasks. To address these limitations, we propose IQE-CLIP, a novel framework for ZFSAD in the medical domain. We show that query embeddings integrating both textual and instance-aware visual information serve as more effective indicators of anomalies. Specifically, we introduce class-based and learnable prompting tokens to better adapt CLIP to the medical setting. Furthermore, we design an instance-aware query module that extracts region-level contextual information from both modalities, enabling the generation of anomaly-sensitive embeddings. Extensive experiments on six medical datasets demonstrate that IQE-CLIP achieves state-of-the-art performance in both zero-shot and few-shot settings. Code and data are available at \href{https://github.com/hongh0/IQE-CLIP/}{this https URL}.
☆ Deep Learning-based Multi Project InP Wafer Simulation for Unsupervised Surface Defect Detection
Quality management in semiconductor manufacturing often relies on template matching with known golden standards. For Indium-Phosphide (InP) multi-project wafer manufacturing, low production scale and high design variability lead to such golden standards being typically unavailable. Defect detection, in turn, is manual and labor-intensive. This work addresses this challenge by proposing a methodology to generate a synthetic golden standard using Deep Neural Networks, trained to simulate photo-realistic InP wafer images from CAD data. We evaluate various training objectives and assess the quality of the simulated images on both synthetic data and InP wafer photographs. Our deep-learning-based method outperforms a baseline decision-tree-based approach, enabling the use of a 'simulated golden die' from CAD plans in any user-defined region of a wafer for more efficient defect detection. We apply our method to a template matching procedure, to demonstrate its practical utility in surface defect detection.
☆ Uncertainty-Masked Bernoulli Diffusion for Camouflaged Object Detection Refinement
Camouflaged Object Detection (COD) presents inherent challenges due to the subtle visual differences between targets and their backgrounds. While existing methods have made notable progress, there remains significant potential for post-processing refinement that has yet to be fully explored. To address this limitation, we propose the Uncertainty-Masked Bernoulli Diffusion (UMBD) model, the first generative refinement framework specifically designed for COD. UMBD introduces an uncertainty-guided masking mechanism that selectively applies Bernoulli diffusion to residual regions with poor segmentation quality, enabling targeted refinement while preserving correctly segmented areas. To support this process, we design the Hybrid Uncertainty Quantification Network (HUQNet), which employs a multi-branch architecture and fuses uncertainty from multiple sources to improve estimation accuracy. This enables adaptive guidance during the generative sampling process. The proposed UMBD framework can be seamlessly integrated with a wide range of existing Encoder-Decoder-based COD models, combining their discriminative capabilities with the generative advantages of diffusion-based refinement. Extensive experiments across multiple COD benchmarks demonstrate consistent performance improvements, achieving average gains of 5.5% in MAE and 3.2% in weighted F-measure with only modest computational overhead. Code will be released.
comment: 16 pages, 7 figures
☆ Continual Hyperbolic Learning of Instances and Classes
Continual learning has traditionally focused on classifying either instances or classes, but real-world applications, such as robotics and self-driving cars, require models to handle both simultaneously. To mirror real-life scenarios, we introduce the task of continual learning of instances and classes, at the same time. This task challenges models to adapt to multiple levels of granularity over time, which requires balancing fine-grained instance recognition with coarse-grained class generalization. In this paper, we identify that classes and instances naturally form a hierarchical structure. To model these hierarchical relationships, we propose HyperCLIC, a continual learning algorithm that leverages hyperbolic space, which is uniquely suited for hierarchical data due to its ability to represent tree-like structures with low distortion and compact embeddings. Our framework incorporates hyperbolic classification and distillation objectives, enabling the continual embedding of hierarchical relations. To evaluate performance across multiple granularities, we introduce continual hierarchical metrics. We validate our approach on EgoObjects, the only dataset that captures the complexity of hierarchical object recognition in dynamic real-world environments. Empirical results show that HyperCLIC operates effectively at multiple granularities with improved hierarchical generalization.
☆ Underage Detection through a Multi-Task and MultiAge Approach for Screening Minors in Unconstrained Imagery
Accurate automatic screening of minors in unconstrained images demands models that are robust to distribution shift and resilient to the children under-representation in publicly available data. To overcome these issues, we propose a multi-task architecture with dedicated under/over-age discrimination tasks based on a frozen FaRL vision-language backbone joined with a compact two-layer MLP that shares features across one age-regression head and four binary under-age heads for age thresholds of 12, 15, 18, and 21 years, focusing on the legally critical age range. To address the severe class imbalance, we introduce an $\alpha$-reweighted focal-style loss and age-balanced mini-batch sampling, which equalizes twelve age bins during stochastic optimization. Further improvement is achieved with an age gap that removes edge cases from the loss. Moreover, we set a rigorous evaluation by proposing the Overall Under-Age Benchmark, with 303k cleaned training images and 110k test images, defining both the "ASORES-39k" restricted overall test, which removes the noisiest domains, and the age estimation wild shifts test "ASWIFT-20k" of 20k-images, stressing extreme pose ($>$45{\deg}), expression, and low image quality to emulate real-world shifts. Trained on the cleaned overall set with resampling and age gap, our multiage model "F" lowers the root-mean-square-error on the ASORES-39k restricted test from 5.733 (age-only baseline) to 5.656 years and lifts under-18 detection from F2 score of 0.801 to 0.857 at 1% false-adult rate. Under the domain shift to the wild data of ASWIFT-20k, the same configuration nearly sustains 0.99 recall while boosting F2 from 0.742 to 0.833 with respect to the age-only baseline, demonstrating strong generalization under distribution shift. For the under-12 and under-15 tasks, the respective boosts in F2 are from 0.666 to 0.955 and from 0.689 to 0.916, respectively.
☆ Unsourced Adversarial CAPTCHA: A Bi-Phase Adversarial CAPTCHA Framework
With the rapid advancements in deep learning, traditional CAPTCHA schemes are increasingly vulnerable to automated attacks powered by deep neural networks (DNNs). Existing adversarial attack methods often rely on original image characteristics, resulting in distortions that hinder human interpretation and limit applicability in scenarios lacking initial input images. To address these challenges, we propose the Unsourced Adversarial CAPTCHA (UAC), a novel framework generating high-fidelity adversarial examples guided by attacker-specified text prompts. Leveraging a Large Language Model (LLM), UAC enhances CAPTCHA diversity and supports both targeted and untargeted attacks. For targeted attacks, the EDICT method optimizes dual latent variables in a diffusion model for superior image quality. In untargeted attacks, especially for black-box scenarios, we introduce bi-path unsourced adversarial CAPTCHA (BP-UAC), a two-step optimization strategy employing multimodal gradients and bi-path optimization for efficient misclassification. Experiments show BP-UAC achieves high attack success rates across diverse systems, generating natural CAPTCHAs indistinguishable to humans and DNNs.
☆ Enhancing Deepfake Detection using SE Block Attention with CNN
In the digital age, Deepfake present a formidable challenge by using advanced artificial intelligence to create highly convincing manipulated content, undermining information authenticity and security. These sophisticated fabrications surpass traditional detection methods in complexity and realism. To address this issue, we aim to harness cutting-edge deep learning methodologies to engineer an innovative deepfake detection model. However, most of the models designed for deepfake detection are large, causing heavy storage and memory consumption. In this research, we propose a lightweight convolution neural network (CNN) with squeeze and excitation block attention (SE) for Deepfake detection. The SE block module is designed to perform dynamic channel-wise feature recalibration. The SE block allows the network to emphasize informative features and suppress less useful ones, which leads to a more efficient and effective learning module. This module is integrated with a simple sequential model to perform Deepfake detection. The model is smaller in size and it achieves competing accuracy with the existing models for deepfake detection tasks. The model achieved an overall classification accuracy of 94.14% and AUC-ROC score of 0.985 on the Style GAN dataset from the Diverse Fake Face Dataset. Our proposed approach presents a promising avenue for combating the Deepfake challenge with minimal computational resources, developing efficient and scalable solutions for digital content verification.
☆ ConStyX: Content Style Augmentation for Generalizable Medical Image Segmentation
Medical images are usually collected from multiple domains, leading to domain shifts that impair the performance of medical image segmentation models. Domain Generalization (DG) aims to address this issue by training a robust model with strong generalizability. Recently, numerous domain randomization-based DG methods have been proposed. However, these methods suffer from the following limitations: 1) constrained efficiency of domain randomization due to their exclusive dependence on image style perturbation, and 2) neglect of the adverse effects of over-augmented images on model training. To address these issues, we propose a novel domain randomization-based DG method, called content style augmentation (ConStyX), for generalizable medical image segmentation. Specifically, ConStyX 1) augments the content and style of training data, allowing the augmented training data to better cover a wider range of data domains, and 2) leverages well-augmented features while mitigating the negative effects of over-augmented features during model training. Extensive experiments across multiple domains demonstrate that our ConStyX achieves superior generalization performance. The code is available at https://github.com/jwxsp1/ConStyX.
☆ PiPViT: Patch-based Visual Interpretable Prototypes for Retinal Image Analysis
Background and Objective: Prototype-based methods improve interpretability by learning fine-grained part-prototypes; however, their visualization in the input pixel space is not always consistent with human-understandable biomarkers. In addition, well-known prototype-based approaches typically learn extremely granular prototypes that are less interpretable in medical imaging, where both the presence and extent of biomarkers and lesions are critical. Methods: To address these challenges, we propose PiPViT (Patch-based Visual Interpretable Prototypes), an inherently interpretable prototypical model for image recognition. Leveraging a vision transformer (ViT), PiPViT captures long-range dependencies among patches to learn robust, human-interpretable prototypes that approximate lesion extent only using image-level labels. Additionally, PiPViT benefits from contrastive learning and multi-resolution input processing, which enables effective localization of biomarkers across scales. Results: We evaluated PiPViT on retinal OCT image classification across four datasets, where it achieved competitive quantitative performance compared to state-of-the-art methods while delivering more meaningful explanations. Moreover, quantitative evaluation on a hold-out test set confirms that the learned prototypes are semantically and clinically relevant. We believe PiPViT can transparently explain its decisions and assist clinicians in understanding diagnostic outcomes. Github page: https://github.com/marziehoghbaie/PiPViT
☆ GigaVideo-1: Advancing Video Generation via Automatic Feedback with 4 GPU-Hours Fine-Tuning
Recent progress in diffusion models has greatly enhanced video generation quality, yet these models still require fine-tuning to improve specific dimensions like instance preservation, motion rationality, composition, and physical plausibility. Existing fine-tuning approaches often rely on human annotations and large-scale computational resources, limiting their practicality. In this work, we propose GigaVideo-1, an efficient fine-tuning framework that advances video generation without additional human supervision. Rather than injecting large volumes of high-quality data from external sources, GigaVideo-1 unlocks the latent potential of pre-trained video diffusion models through automatic feedback. Specifically, we focus on two key aspects of the fine-tuning process: data and optimization. To improve fine-tuning data, we design a prompt-driven data engine that constructs diverse, weakness-oriented training samples. On the optimization side, we introduce a reward-guided training strategy, which adaptively weights samples using feedback from pre-trained vision-language models with a realism constraint. We evaluate GigaVideo-1 on the VBench-2.0 benchmark using Wan2.1 as the baseline across 17 evaluation dimensions. Experiments show that GigaVideo-1 consistently improves performance on almost all the dimensions with an average gain of about 4% using only 4 GPU-hours. Requiring no manual annotations and minimal real data, GigaVideo-1 demonstrates both effectiveness and efficiency. Code, model, and data will be publicly available.
☆ Symmetrical Flow Matching: Unified Image Generation, Segmentation, and Classification with Score-Based Generative Models
Flow Matching has emerged as a powerful framework for learning continuous transformations between distributions, enabling high-fidelity generative modeling. This work introduces Symmetrical Flow Matching (SymmFlow), a new formulation that unifies semantic segmentation, classification, and image generation within a single model. Using a symmetric learning objective, SymmFlow models forward and reverse transformations jointly, ensuring bi-directional consistency, while preserving sufficient entropy for generative diversity. A new training objective is introduced to explicitly retain semantic information across flows, featuring efficient sampling while preserving semantic structure, allowing for one-step segmentation and classification without iterative refinement. Unlike previous approaches that impose strict one-to-one mapping between masks and images, SymmFlow generalizes to flexible conditioning, supporting both pixel-level and image-level class labels. Experimental results on various benchmarks demonstrate that SymmFlow achieves state-of-the-art performance on semantic image synthesis, obtaining FID scores of 11.9 on CelebAMask-HQ and 7.0 on COCO-Stuff with only 25 inference steps. Additionally, it delivers competitive results on semantic segmentation and shows promising capabilities in classification tasks. The code will be publicly available.
☆ Anatomy-Grounded Weakly Supervised Prompt Tuning for Chest X-ray Latent Diffusion Models
Latent Diffusion Models have shown remarkable results in text-guided image synthesis in recent years. In the domain of natural (RGB) images, recent works have shown that such models can be adapted to various vision-language downstream tasks with little to no supervision involved. On the contrary, text-to-image Latent Diffusion Models remain relatively underexplored in the field of medical imaging, primarily due to limited data availability (e.g., due to privacy concerns). In this work, focusing on the chest X-ray modality, we first demonstrate that a standard text-conditioned Latent Diffusion Model has not learned to align clinically relevant information in free-text radiology reports with the corresponding areas of the given scan. Then, to alleviate this issue, we propose a fine-tuning framework to improve multi-modal alignment in a pre-trained model such that it can be efficiently repurposed for downstream tasks such as phrase grounding. Our method sets a new state-of-the-art on a standard benchmark dataset (MS-CXR), while also exhibiting robust performance on out-of-distribution data (VinDr-CXR). Our code will be made publicly available.
comment: 14 pages, 6 figures
☆ Hessian Geometry of Latent Space in Generative Models ICML 2025
This paper presents a novel method for analyzing the latent space geometry of generative models, including statistical physics models and diffusion models, by reconstructing the Fisher information metric. The method approximates the posterior distribution of latent variables given generated samples and uses this to learn the log-partition function, which defines the Fisher metric for exponential families. Theoretical convergence guarantees are provided, and the method is validated on the Ising and TASEP models, outperforming existing baselines in reconstructing thermodynamic quantities. Applied to diffusion models, the method reveals a fractal structure of phase transitions in the latent space, characterized by abrupt changes in the Fisher metric. We demonstrate that while geodesic interpolations are approximately linear within individual phases, this linearity breaks down at phase boundaries, where the diffusion model exhibits a divergent Lipschitz constant with respect to the latent space. These findings provide new insights into the complex structure of diffusion model latent spaces and their connection to phenomena like phase transitions. Our source code is available at https://github.com/alobashev/hessian-geometry-of-diffusion-models.
comment: ICML 2025
☆ Deep Learning-Based Digitization of Overlapping ECG Images with Open-Source Python Code
This paper addresses the persistent challenge of accurately digitizing paper-based electrocardiogram (ECG) recordings, with a particular focus on robustly handling single leads compromised by signal overlaps-a common yet under-addressed issue in existing methodologies. We propose a two-stage pipeline designed to overcome this limitation. The first stage employs a U-Net based segmentation network, trained on a dataset enriched with overlapping signals and fortified with custom data augmentations, to accurately isolate the primary ECG trace. The subsequent stage converts this refined binary mask into a time-series signal using established digitization techniques, enhanced by an adaptive grid detection module for improved versatility across different ECG formats and scales. Our experimental results demonstrate the efficacy of our approach. The U-Net architecture achieves an IoU of 0.87 for the fine-grained segmentation task. Crucially, our proposed digitization method yields superior performance compared to a well-established baseline technique across both non-overlapping and challenging overlapping ECG samples. For non-overlapping signals, our method achieved a Mean Squared Error (MSE) of 0.0010 and a Pearson Correlation Coefficient (rho) of 0.9644, compared to 0.0015 and 0.9366, respectively, for the baseline. On samples with signal overlap, our method achieved an MSE of 0.0029 and a rho of 0.9641, significantly improving upon the baseline's 0.0178 and 0.8676. This work demonstrates an effective strategy to significantly enhance digitization accuracy, especially in the presence of signal overlaps, thereby laying a strong foundation for the reliable conversion of analog ECG records into analyzable digital data for contemporary research and clinical applications. The implementation is publicly available at this GitHub repository: https://github.com/masoudrahimi39/ECG-code.
☆ TexTailor: Customized Text-aligned Texturing via Effective Resampling ICLR 2025
We present TexTailor, a novel method for generating consistent object textures from textual descriptions. Existing text-to-texture synthesis approaches utilize depth-aware diffusion models to progressively generate images and synthesize textures across predefined multiple viewpoints. However, these approaches lead to a gradual shift in texture properties across viewpoints due to (1) insufficient integration of previously synthesized textures at each viewpoint during the diffusion process and (2) the autoregressive nature of the texture synthesis process. Moreover, the predefined selection of camera positions, which does not account for the object's geometry, limits the effective use of texture information synthesized from different viewpoints, ultimately degrading overall texture consistency. In TexTailor, we address these issues by (1) applying a resampling scheme that repeatedly integrates information from previously synthesized textures within the diffusion process, and (2) fine-tuning a depth-aware diffusion model on these resampled textures. During this process, we observed that using only a few training images restricts the model's original ability to generate high-fidelity images aligned with the conditioning, and therefore propose an performance preservation loss to mitigate this issue. Additionally, we improve the synthesis of view-consistent textures by adaptively adjusting camera positions based on the object's geometry. Experiments on a subset of the Objaverse dataset and the ShapeNet car dataset demonstrate that TexTailor outperforms state-of-the-art methods in synthesizing view-consistent textures. The source code for TexTailor is available at https://github.com/Adios42/Textailor
comment: Submitted to ICLR 2025
☆ MSTAR: Box-free Multi-query Scene Text Retrieval with Attention Recycling
Scene text retrieval has made significant progress with the assistance of accurate text localization. However, existing approaches typically require costly bounding box annotations for training. Besides, they mostly adopt a customized retrieval strategy but struggle to unify various types of queries to meet diverse retrieval needs. To address these issues, we introduce Muti-query Scene Text retrieval with Attention Recycling (MSTAR), a box-free approach for scene text retrieval. It incorporates progressive vision embedding to dynamically capture the multi-grained representation of texts and harmonizes free-style text queries with style-aware instructions. Additionally, a multi-instance matching module is integrated to enhance vision-language alignment. Furthermore, we build the Multi-Query Text Retrieval (MQTR) dataset, the first benchmark designed to evaluate the multi-query scene text retrieval capability of models, comprising four query types and 16k images. Extensive experiments demonstrate the superiority of our method across seven public datasets and the MQTR dataset. Notably, MSTAR marginally surpasses the previous state-of-the-art model by 6.4% in MAP on Total-Text while eliminating box annotation costs. Moreover, on the MQTR benchmark, MSTAR significantly outperforms the previous models by an average of 8.5%. The code and datasets are available at https://github.com/yingift/MSTAR.
☆ High-resolution efficient image generation from WiFi CSI using a pretrained latent diffusion model
We present LatentCSI, a novel method for generating images of the physical environment from WiFi CSI measurements that leverages a pretrained latent diffusion model (LDM). Unlike prior approaches that rely on complex and computationally intensive techniques such as GANs, our method employs a lightweight neural network to map CSI amplitudes directly into the latent space of an LDM. We then apply the LDM's denoising diffusion model to the latent representation with text-based guidance before decoding using the LDM's pretrained decoder to obtain a high-resolution image. This design bypasses the challenges of pixel-space image generation and avoids the explicit image encoding stage typically required in conventional image-to-image pipelines, enabling efficient and high-quality image synthesis. We validate our approach on two datasets: a wide-band CSI dataset we collected with off-the-shelf WiFi devices and cameras; and a subset of the publicly available MM-Fi dataset. The results demonstrate that LatentCSI outperforms baselines of comparable complexity trained directly on ground-truth images in both computational efficiency and perceptual quality, while additionally providing practical advantages through its unique capacity for text-guided controllability.
comment: 6 pages, 4 figures
☆ Semantic-decoupled Spatial Partition Guided Point-supervised Oriented Object Detection
Recent remote sensing tech advancements drive imagery growth, making oriented object detection rapid development, yet hindered by labor-intensive annotation for high-density scenes. Oriented object detection with point supervision offers a cost-effective solution for densely packed scenes in remote sensing, yet existing methods suffer from inadequate sample assignment and instance confusion due to rigid rule-based designs. To address this, we propose SSP (Semantic-decoupled Spatial Partition), a unified framework that synergizes rule-driven prior injection and data-driven label purification. Specifically, SSP introduces two core innovations: 1) Pixel-level Spatial Partition-based Sample Assignment, which compactly estimates the upper and lower bounds of object scales and mines high-quality positive samples and hard negative samples through spatial partitioning of pixel maps. 2) Semantic Spatial Partition-based Box Extraction, which derives instances from spatial partitions modulated by semantic maps and reliably converts them into bounding boxes to form pseudo-labels for supervising the learning of downstream detectors. Experiments on DOTA-v1.0 and others demonstrate SSP\' s superiority: it achieves 45.78% mAP under point supervision, outperforming SOTA method PointOBB-v2 by 4.10%. Furthermore, when integrated with ORCNN and ReDet architectures, the SSP framework achieves mAP values of 47.86% and 48.50%, respectively. The code is available at https://github.com/antxinyuan/ssp.
☆ EmbodiedGen: Towards a Generative 3D World Engine for Embodied Intelligence
Constructing a physically realistic and accurately scaled simulated 3D world is crucial for the training and evaluation of embodied intelligence tasks. The diversity, realism, low cost accessibility and affordability of 3D data assets are critical for achieving generalization and scalability in embodied AI. However, most current embodied intelligence tasks still rely heavily on traditional 3D computer graphics assets manually created and annotated, which suffer from high production costs and limited realism. These limitations significantly hinder the scalability of data driven approaches. We present EmbodiedGen, a foundational platform for interactive 3D world generation. It enables the scalable generation of high-quality, controllable and photorealistic 3D assets with accurate physical properties and real-world scale in the Unified Robotics Description Format (URDF) at low cost. These assets can be directly imported into various physics simulation engines for fine-grained physical control, supporting downstream tasks in training and evaluation. EmbodiedGen is an easy-to-use, full-featured toolkit composed of six key modules: Image-to-3D, Text-to-3D, Texture Generation, Articulated Object Generation, Scene Generation and Layout Generation. EmbodiedGen generates diverse and interactive 3D worlds composed of generative 3D assets, leveraging generative AI to address the challenges of generalization and evaluation to the needs of embodied intelligence related research. Code is available at https://horizonrobotics.github.io/robot_lab/embodied_gen/index.html.
☆ Hierarchical Error Assessment of CAD Models for Aircraft Manufacturing-and-Measurement
The most essential feature of aviation equipment is high quality, including high performance, high stability and high reliability. In this paper, we propose a novel hierarchical error assessment framework for aircraft CAD models within a manufacturing-and-measurement platform, termed HEA-MM. HEA-MM employs structured light scanners to obtain comprehensive 3D measurements of manufactured workpieces. The measured point cloud is registered with the reference CAD model, followed by an error analysis conducted at three hierarchical levels: global, part, and feature. At the global level, the error analysis evaluates the overall deviation of the scanned point cloud from the reference CAD model. At the part level, error analysis is performed on these patches underlying the point clouds. We propose a novel optimization-based primitive refinement method to obtain a set of meaningful patches of point clouds. Two basic operations, splitting and merging, are introduced to refine the coarse primitives. At the feature level, error analysis is performed on circular holes, which are commonly found in CAD models. To facilitate it, a two-stage algorithm is introduced for the detection of circular holes. First, edge points are identified using a tensor-voting algorithm. Then, multiple circles are fitted through a hypothesize-and-clusterize framework, ensuring accurate detection and analysis of the circular features. Experimental results on various aircraft CAD models demonstrate the effectiveness of our proposed method.
☆ Rethinking Random Masking in Self Distillation on ViT
Vision Transformers (ViTs) have demonstrated remarkable performance across a wide range of vision tasks. In particular, self-distillation frameworks such as DINO have contributed significantly to these advances. Within such frameworks, random masking is often utilized to improve training efficiency and introduce regularization. However, recent studies have raised concerns that indiscriminate random masking may inadvertently eliminate critical semantic information, motivating the development of more informed masking strategies. In this study, we explore the role of random masking in the self-distillation setting, focusing on the DINO framework. Specifically, we apply random masking exclusively to the student's global view, while preserving the student's local views and the teacher's global view in their original, unmasked forms. This design leverages DINO's multi-view augmentation scheme to retain clean supervision while inducing robustness through masked inputs. We evaluate our approach using DINO-Tiny on the mini-ImageNet dataset and show that random masking under this asymmetric setup yields more robust and fine-grained attention maps, ultimately enhancing downstream performance.
comment: 4 pages
☆ Transformer IMU Calibrator: Dynamic On-body IMU Calibration for Inertial Motion Capture
In this paper, we propose a novel dynamic calibration method for sparse inertial motion capture systems, which is the first to break the restrictive absolute static assumption in IMU calibration, i.e., the coordinate drift RG'G and measurement offset RBS remain constant during the entire motion, thereby significantly expanding their application scenarios. Specifically, we achieve real-time estimation of RG'G and RBS under two relaxed assumptions: i) the matrices change negligibly in a short time window; ii) the human movements/IMU readings are diverse in such a time window. Intuitively, the first assumption reduces the number of candidate matrices, and the second assumption provides diverse constraints, which greatly reduces the solution space and allows for accurate estimation of RG'G and RBS from a short history of IMU readings in real time. To achieve this, we created synthetic datasets of paired RG'G, RBS matrices and IMU readings, and learned their mappings using a Transformer-based model. We also designed a calibration trigger based on the diversity of IMU readings to ensure that assumption ii) is met before applying our method. To our knowledge, we are the first to achieve implicit IMU calibration (i.e., seamlessly putting IMUs into use without the need for an explicit calibration process), as well as the first to enable long-term and accurate motion capture using sparse IMUs. The code and dataset are available at https://github.com/ZuoCX1996/TIC.
comment: Accepted by SIGGRAPH 2025 (TOG)
☆ Harmonizing Geometry and Uncertainty: Diffusion with Hyperspheres
Do contemporary diffusion models preserve the class geometry of hyperspherical data? Standard diffusion models rely on isotropic Gaussian noise in the forward process, inherently favoring Euclidean spaces. However, many real-world problems involve non-Euclidean distributions, such as hyperspherical manifolds, where class-specific patterns are governed by angular geometry within hypercones. When modeled in Euclidean space, these angular subtleties are lost, leading to suboptimal generative performance. To address this limitation, we introduce HyperSphereDiff to align hyperspherical structures with directional noise, preserving class geometry and effectively capturing angular uncertainty. We demonstrate both theoretically and empirically that this approach aligns the generative process with the intrinsic geometry of hyperspherical data, resulting in more accurate and geometry-aware generative models. We evaluate our framework on four object datasets and two face datasets, showing that incorporating angular uncertainty better preserves the underlying hyperspherical manifold. Resources are available at: {https://github.com/IAB-IITJ/Harmonizing-Geometry-and-Uncertainty-Diffusion-with-Hyperspheres/}
☆ Text to Image for Multi-Label Image Recognition with Joint Prompt-Adapter Learning
Benefited from image-text contrastive learning, pre-trained vision-language models, e.g., CLIP, allow to direct leverage texts as images (TaI) for parameter-efficient fine-tuning (PEFT). While CLIP is capable of making image features to be similar to the corresponding text features, the modality gap remains a nontrivial issue and limits image recognition performance of TaI. Using multi-label image recognition (MLR) as an example, we present a novel method, called T2I-PAL to tackle the modality gap issue when using only text captions for PEFT. The core design of T2I-PAL is to leverage pre-trained text-to-image generation models to generate photo-realistic and diverse images from text captions, thereby reducing the modality gap. To further enhance MLR, T2I-PAL incorporates a class-wise heatmap and learnable prototypes. This aggregates local similarities, making the representation of local visual features more robust and informative for multi-label recognition. For better PEFT, we further combine both prompt tuning and adapter learning to enhance classification performance. T2I-PAL offers significant advantages: it eliminates the need for fully semantically annotated training images, thereby reducing the manual annotation workload, and it preserves the intrinsic mode of the CLIP model, allowing for seamless integration with any existing CLIP framework. Extensive experiments on multiple benchmarks, including MS-COCO, VOC2007, and NUS-WIDE, show that our T2I-PAL can boost recognition performance by 3.47% in average above the top-ranked state-of-the-art methods.
☆ DanceChat: Large Language Model-Guided Music-to-Dance Generation
Music-to-dance generation aims to synthesize human dance motion conditioned on musical input. Despite recent progress, significant challenges remain due to the semantic gap between music and dance motion, as music offers only abstract cues, such as melody, groove, and emotion, without explicitly specifying the physical movements. Moreover, a single piece of music can produce multiple plausible dance interpretations. This one-to-many mapping demands additional guidance, as music alone provides limited information for generating diverse dance movements. The challenge is further amplified by the scarcity of paired music and dance data, which restricts the model\^a\u{A}\'Zs ability to learn diverse dance patterns. In this paper, we introduce DanceChat, a Large Language Model (LLM)-guided music-to-dance generation approach. We use an LLM as a choreographer that provides textual motion instructions, offering explicit, high-level guidance for dance generation. This approach goes beyond implicit learning from music alone, enabling the model to generate dance that is both more diverse and better aligned with musical styles. Our approach consists of three components: (1) an LLM-based pseudo instruction generation module that produces textual dance guidance based on music style and structure, (2) a multi-modal feature extraction and fusion module that integrates music, rhythm, and textual guidance into a shared representation, and (3) a diffusion-based motion synthesis module together with a multi-modal alignment loss, which ensures that the generated dance is aligned with both musical and textual cues. Extensive experiments on AIST++ and human evaluations show that DanceChat outperforms state-of-the-art methods both qualitatively and quantitatively.
comment: check demos at https://dancechat.github.io/anon/
☆ Improving Medical Visual Representation Learning with Pathological-level Cross-Modal Alignment and Correlation Exploration
Learning medical visual representations from image-report pairs through joint learning has garnered increasing research attention due to its potential to alleviate the data scarcity problem in the medical domain. The primary challenges stem from the lengthy reports that feature complex discourse relations and semantic pathologies. Previous works have predominantly focused on instance-wise or token-wise cross-modal alignment, often neglecting the importance of pathological-level consistency. This paper presents a novel framework PLACE that promotes the Pathological-Level Alignment and enriches the fine-grained details via Correlation Exploration without additional human annotations. Specifically, we propose a novel pathological-level cross-modal alignment (PCMA) approach to maximize the consistency of pathology observations from both images and reports. To facilitate this, a Visual Pathology Observation Extractor is introduced to extract visual pathological observation representations from localized tokens. The PCMA module operates independently of any external disease annotations, enhancing the generalizability and robustness of our methods. Furthermore, we design a proxy task that enforces the model to identify correlations among image patches, thereby enriching the fine-grained details crucial for various downstream tasks. Experimental results demonstrate that our proposed framework achieves new state-of-the-art performance on multiple downstream tasks, including classification, image-to-text retrieval, semantic segmentation, object detection and report generation.
comment: 12 pages, 10 tables and 6 figures
☆ DreamActor-H1: High-Fidelity Human-Product Demonstration Video Generation via Motion-designed Diffusion Transformers
In e-commerce and digital marketing, generating high-fidelity human-product demonstration videos is important for effective product presentation. However, most existing frameworks either fail to preserve the identities of both humans and products or lack an understanding of human-product spatial relationships, leading to unrealistic representations and unnatural interactions. To address these challenges, we propose a Diffusion Transformer (DiT)-based framework. Our method simultaneously preserves human identities and product-specific details, such as logos and textures, by injecting paired human-product reference information and utilizing an additional masked cross-attention mechanism. We employ a 3D body mesh template and product bounding boxes to provide precise motion guidance, enabling intuitive alignment of hand gestures with product placements. Additionally, structured text encoding is used to incorporate category-level semantics, enhancing 3D consistency during small rotational changes across frames. Trained on a hybrid dataset with extensive data augmentation strategies, our approach outperforms state-of-the-art techniques in maintaining the identity integrity of both humans and products and generating realistic demonstration motions. Project page: https://submit2025-dream.github.io/DreamActor-H1/.
☆ LRSLAM: Low-rank Representation of Signed Distance Fields in Dense Visual SLAM System
Simultaneous Localization and Mapping (SLAM) has been crucial across various domains, including autonomous driving, mobile robotics, and mixed reality. Dense visual SLAM, leveraging RGB-D camera systems, offers advantages but faces challenges in achieving real-time performance, robustness, and scalability for large-scale scenes. Recent approaches utilizing neural implicit scene representations show promise but suffer from high computational costs and memory requirements. ESLAM introduced a plane-based tensor decomposition but still struggled with memory growth. Addressing these challenges, we propose a more efficient visual SLAM model, called LRSLAM, utilizing low-rank tensor decomposition methods. Our approach, leveraging the Six-axis and CP decompositions, achieves better convergence rates, memory efficiency, and reconstruction/localization quality than existing state-of-the-art approaches. Evaluation across diverse indoor RGB-D datasets demonstrates LRSLAM's superior performance in terms of parameter efficiency, processing time, and accuracy, retaining reconstruction and localization quality. Our code will be publicly available upon publication.
comment: Accepted at ECCV 2024
☆ Balancing Tails when Comparing Distributions: Comprehensive Equity Index (CEI) with Application to Bias Evaluation in Operational Face Biometrics
Demographic bias in high-performance face recognition (FR) systems often eludes detection by existing metrics, especially with respect to subtle disparities in the tails of the score distribution. We introduce the Comprehensive Equity Index (CEI), a novel metric designed to address this limitation. CEI uniquely analyzes genuine and impostor score distributions separately, enabling a configurable focus on tail probabilities while also considering overall distribution shapes. Our extensive experiments (evaluating state-of-the-art FR systems, intentionally biased models, and diverse datasets) confirm CEI's superior ability to detect nuanced biases where previous methods fall short. Furthermore, we present CEI^A, an automated version of the metric that enhances objectivity and simplifies practical application. CEI provides a robust and sensitive tool for operational FR fairness assessment. The proposed methods have been developed particularly for bias evaluation in face biometrics but, in general, they are applicable for comparing statistical distributions in any problem where one is interested in analyzing the distribution tails.
☆ From Images to Insights: Explainable Biodiversity Monitoring with Plain Language Habitat Explanations
Explaining why the species lives at a particular location is important for understanding ecological systems and conserving biodiversity. However, existing ecological workflows are fragmented and often inaccessible to non-specialists. We propose an end-to-end visual-to-causal framework that transforms a species image into interpretable causal insights about its habitat preference. The system integrates species recognition, global occurrence retrieval, pseudo-absence sampling, and climate data extraction. We then discover causal structures among environmental features and estimate their influence on species occurrence using modern causal inference methods. Finally, we generate statistically grounded, human-readable causal explanations from structured templates and large language models. We demonstrate the framework on a bee and a flower species and report early results as part of an ongoing project, showing the potential of the multimodal AI assistant backed up by a recommended ecological modeling practice for describing species habitat in human-understandable language.
comment: Code will be released at: https://github.com/Yutong-Zhou-cv/BioX
☆ ContextRefine-CLIP for EPIC-KITCHENS-100 Multi-Instance Retrieval Challenge 2025
This report presents ContextRefine-CLIP (CR-CLIP), an efficient model for visual-textual multi-instance retrieval tasks. The approach is based on the dual-encoder AVION, on which we introduce a cross-modal attention flow module to achieve bidirectional dynamic interaction and refinement between visual and textual features to generate more context-aware joint representations. For soft-label relevance matrices provided in tasks such as EPIC-KITCHENS-100, CR-CLIP can work with Symmetric Multi-Similarity Loss to achieve more accurate semantic alignment and optimization using the refined features. Without using ensemble learning, the CR-CLIP model achieves 66.78mAP and 82.08nDCG on the EPIC-KITCHENS-100 public leaderboard, which significantly outperforms the baseline model and fully validates its effectiveness in cross-modal retrieval. The code will be released open-source on https://github.com/delCayr/ContextRefine-Clip
☆ AniMaker: Automated Multi-Agent Animated Storytelling with MCTS-Driven Clip Generation
Despite rapid advancements in video generation models, generating coherent storytelling videos that span multiple scenes and characters remains challenging. Current methods often rigidly convert pre-generated keyframes into fixed-length clips, resulting in disjointed narratives and pacing issues. Furthermore, the inherent instability of video generation models means that even a single low-quality clip can significantly degrade the entire output animation's logical coherence and visual continuity. To overcome these obstacles, we introduce AniMaker, a multi-agent framework enabling efficient multi-candidate clip generation and storytelling-aware clip selection, thus creating globally consistent and story-coherent animation solely from text input. The framework is structured around specialized agents, including the Director Agent for storyboard generation, the Photography Agent for video clip generation, the Reviewer Agent for evaluation, and the Post-Production Agent for editing and voiceover. Central to AniMaker's approach are two key technical components: MCTS-Gen in Photography Agent, an efficient Monte Carlo Tree Search (MCTS)-inspired strategy that intelligently navigates the candidate space to generate high-potential clips while optimizing resource usage; and AniEval in Reviewer Agent, the first framework specifically designed for multi-shot animation evaluation, which assesses critical aspects such as story-level consistency, action completion, and animation-specific features by considering each clip in the context of its preceding and succeeding clips. Experiments demonstrate that AniMaker achieves superior quality as measured by popular metrics including VBench and our proposed AniEval framework, while significantly improving the efficiency of multi-candidate generation, pushing AI-generated storytelling animation closer to production standards.
☆ SLICK: Selective Localization and Instance Calibration for Knowledge-Enhanced Car Damage Segmentation in Automotive Insurance
We present SLICK, a novel framework for precise and robust car damage segmentation that leverages structural priors and domain knowledge to tackle real-world automotive inspection challenges. SLICK introduces five key components: (1) Selective Part Segmentation using a high-resolution semantic backbone guided by structural priors to achieve surgical accuracy in segmenting vehicle parts even under occlusion, deformation, or paint loss; (2) Localization-Aware Attention blocks that dynamically focus on damaged regions, enhancing fine-grained damage detection in cluttered and complex street scenes; (3) an Instance-Sensitive Refinement head that leverages panoptic cues and shape priors to disentangle overlapping or adjacent parts, enabling precise boundary alignment; (4) Cross-Channel Calibration through multi-scale channel attention that amplifies subtle damage signals such as scratches and dents while suppressing noise like reflections and decals; and (5) a Knowledge Fusion Module that integrates synthetic crash data, part geometry, and real-world insurance datasets to improve generalization and handle rare cases effectively. Experiments on large-scale automotive datasets demonstrate SLICK's superior segmentation performance, robustness, and practical applicability for insurance and automotive inspection workflows.
comment: 10 pages
☆ ALBERT: Advanced Localization and Bidirectional Encoder Representations from Transformers for Automotive Damage Evaluation
This paper introduces ALBERT, an instance segmentation model specifically designed for comprehensive car damage and part segmentation. Leveraging the power of Bidirectional Encoder Representations, ALBERT incorporates advanced localization mechanisms to accurately identify and differentiate between real and fake damages, as well as segment individual car parts. The model is trained on a large-scale, richly annotated automotive dataset that categorizes damage into 26 types, identifies 7 fake damage variants, and segments 61 distinct car parts. Our approach demonstrates strong performance in both segmentation accuracy and damage classification, paving the way for intelligent automotive inspection and assessment applications.
comment: 10 pages
☆ CogStream: Context-guided Streaming Video Question Answering
Despite advancements in Video Large Language Models (Vid-LLMs) improving multimodal understanding, challenges persist in streaming video reasoning due to its reliance on contextual information. Existing paradigms feed all available historical contextual information into Vid-LLMs, resulting in a significant computational burden for visual data processing. Furthermore, the inclusion of irrelevant context distracts models from key details. This paper introduces a challenging task called Context-guided Streaming Video Reasoning (CogStream), which simulates real-world streaming video scenarios, requiring models to identify the most relevant historical contextual information to deduce answers for questions about the current stream. To support CogStream, we present a densely annotated dataset featuring extensive and hierarchical question-answer pairs, generated by a semi-automatic pipeline. Additionally, we present CogReasoner as a baseline model. It efficiently tackles this task by leveraging visual stream compression and historical dialogue retrieval. Extensive experiments prove the effectiveness of this method. Code will be released soon.
☆ Edit360: 2D Image Edits to 3D Assets from Any Angle
Recent advances in diffusion models have significantly improved image generation and editing, but extending these capabilities to 3D assets remains challenging, especially for fine-grained edits that require multi-view consistency. Existing methods typically restrict editing to predetermined viewing angles, severely limiting their flexibility and practical applications. We introduce Edit360, a tuning-free framework that extends 2D modifications to multi-view consistent 3D editing. Built upon video diffusion models, Edit360 enables user-specific editing from arbitrary viewpoints while ensuring structural coherence across all views. The framework selects anchor views for 2D modifications and propagates edits across the entire 360-degree range. To achieve this, Edit360 introduces a novel Anchor-View Editing Propagation mechanism, which effectively aligns and merges multi-view information within the latent and attention spaces of diffusion models. The resulting edited multi-view sequences facilitate the reconstruction of high-quality 3D assets, enabling customizable 3D content creation.
comment: 11 pages, 9 figures
☆ J-DDL: Surface Damage Detection and Localization System for Fighter Aircraft
Ensuring the safety and extended operational life of fighter aircraft necessitates frequent and exhaustive inspections. While surface defect detection is feasible for human inspectors, manual methods face critical limitations in scalability, efficiency, and consistency due to the vast surface area, structural complexity, and operational demands of aircraft maintenance. We propose a smart surface damage detection and localization system for fighter aircraft, termed J-DDL. J-DDL integrates 2D images and 3D point clouds of the entire aircraft surface, captured using a combined system of laser scanners and cameras, to achieve precise damage detection and localization. Central to our system is a novel damage detection network built on the YOLO architecture, specifically optimized for identifying surface defects in 2D aircraft images. Key innovations include lightweight Fasternet blocks for efficient feature extraction, an optimized neck architecture incorporating Efficient Multiscale Attention (EMA) modules for superior feature aggregation, and the introduction of a novel loss function, Inner-CIOU, to enhance detection accuracy. After detecting damage in 2D images, the system maps the identified anomalies onto corresponding 3D point clouds, enabling accurate 3D localization of defects across the aircraft surface. Our J-DDL not only streamlines the inspection process but also ensures more comprehensive and detailed coverage of large and complex aircraft exteriors. To facilitate further advancements in this domain, we have developed the first publicly available dataset specifically focused on aircraft damage. Experimental evaluations validate the effectiveness of our framework, underscoring its potential to significantly advance automated aircraft inspection technologies.
☆ Semantic Localization Guiding Segment Anything Model For Reference Remote Sensing Image Segmentation
The Reference Remote Sensing Image Segmentation (RRSIS) task generates segmentation masks for specified objects in images based on textual descriptions, which has attracted widespread attention and research interest. Current RRSIS methods rely on multi-modal fusion backbones and semantic segmentation heads but face challenges like dense annotation requirements and complex scene interpretation. To address these issues, we propose a framework named \textit{prompt-generated semantic localization guiding Segment Anything Model}(PSLG-SAM), which decomposes the RRSIS task into two stages: coarse localization and fine segmentation. In coarse localization stage, a visual grounding network roughly locates the text-described object. In fine segmentation stage, the coordinates from the first stage guide the Segment Anything Model (SAM), enhanced by a clustering-based foreground point generator and a mask boundary iterative optimization strategy for precise segmentation. Notably, the second stage can be train-free, significantly reducing the annotation data burden for the RRSIS task. Additionally, decomposing the RRSIS task into two stages allows for focusing on specific region segmentation, avoiding interference from complex scenes.We further contribute a high-quality, multi-category manually annotated dataset. Experimental validation on two datasets (RRSIS-D and RRSIS-M) demonstrates that PSLG-SAM achieves significant performance improvements and surpasses existing state-of-the-art models.Our code will be made publicly available.
☆ Class-Incremental Learning for Honey Botanical Origin Classification with Hyperspectral Images: A Study with Continual Backpropagation
Honey is an important commodity in the global market. Honey types of different botanical origins provide diversified flavors and health benefits, thus having different market values. Developing accurate and effective botanical origin-distinguishing techniques is crucial to protect consumers' interests. However, it is impractical to collect all the varieties of honey products at once to train a model for botanical origin differentiation. Therefore, researchers developed class-incremental learning (CIL) techniques to address this challenge. This study examined and compared multiple CIL algorithms on a real-world honey hyperspectral imaging dataset. A novel technique is also proposed to improve the performance of class-incremental learning algorithms by combining with a continual backpropagation (CB) algorithm. The CB method addresses the issue of loss-of-plasticity by reinitializing a proportion of less-used hidden neurons to inject variability into neural networks. Experiments showed that CB improved the performance of most CIL methods by 1-7\%.
☆ Sheet Music Benchmark: Standardized Optical Music Recognition Evaluation
In this work, we introduce the Sheet Music Benchmark (SMB), a dataset of six hundred and eighty-five pages specifically designed to benchmark Optical Music Recognition (OMR) research. SMB encompasses a diverse array of musical textures, including monophony, pianoform, quartet, and others, all encoded in Common Western Modern Notation using the Humdrum **kern format. Alongside SMB, we introduce the OMR Normalized Edit Distance (OMR-NED), a new metric tailored explicitly for evaluating OMR performance. OMR-NED builds upon the widely-used Symbol Error Rate (SER), offering a fine-grained and detailed error analysis that covers individual musical elements such as note heads, beams, pitches, accidentals, and other critical notation features. The resulting numeric score provided by OMR-NED facilitates clear comparisons, enabling researchers and end-users alike to identify optimal OMR approaches. Our work thus addresses a long-standing gap in OMR evaluation, and we support our contributions with baseline experiments using standardized SMB dataset splits for training and assessing state-of-the-art methods.
LLMs Are Not Yet Ready for Deepfake Image Detection
The growing sophistication of deepfakes presents substantial challenges to the integrity of media and the preservation of public trust. Concurrently, vision-language models (VLMs), large language models enhanced with visual reasoning capabilities, have emerged as promising tools across various domains, sparking interest in their applicability to deepfake detection. This study conducts a structured zero-shot evaluation of four prominent VLMs: ChatGPT, Claude, Gemini, and Grok, focusing on three primary deepfake types: faceswap, reenactment, and synthetic generation. Leveraging a meticulously assembled benchmark comprising authentic and manipulated images from diverse sources, we evaluate each model's classification accuracy and reasoning depth. Our analysis indicates that while VLMs can produce coherent explanations and detect surface-level anomalies, they are not yet dependable as standalone detection systems. We highlight critical failure modes, such as an overemphasis on stylistic elements and vulnerability to misleading visual patterns like vintage aesthetics. Nevertheless, VLMs exhibit strengths in interpretability and contextual analysis, suggesting their potential to augment human expertise in forensic workflows. These insights imply that although general-purpose models currently lack the reliability needed for autonomous deepfake detection, they hold promise as integral components in hybrid or human-in-the-loop detection frameworks.
comment: 6 pages, 3 figures, and 2 tables. paper is under review
☆ Low-Barrier Dataset Collection with Real Human Body for Interactive Per-Garment Virtual Try-On
Existing image-based virtual try-on methods are often limited to the front view and lack real-time performance. While per-garment virtual try-on methods have tackled these issues by capturing per-garment datasets and training per-garment neural networks, they still encounter practical limitations: (1) the robotic mannequin used to capture per-garment datasets is prohibitively expensive for widespread adoption and fails to accurately replicate natural human body deformation; (2) the synthesized garments often misalign with the human body. To address these challenges, we propose a low-barrier approach for collecting per-garment datasets using real human bodies, eliminating the necessity for a customized robotic mannequin. We also introduce a hybrid person representation that enhances the existing intermediate representation with a simplified DensePose map. This ensures accurate alignment of synthesized garment images with the human body and enables human-garment interaction without the need for customized wearable devices. We performed qualitative and quantitative evaluations against other state-of-the-art image-based virtual try-on methods and conducted ablation studies to demonstrate the superiority of our method regarding image quality and temporal consistency. Finally, our user study results indicated that most participants found our virtual try-on system helpful for making garment purchasing decisions.
☆ MedSeg-R: Reasoning Segmentation in Medical Images with Multimodal Large Language Models
Medical image segmentation is crucial for clinical diagnosis, yet existing models are limited by their reliance on explicit human instructions and lack the active reasoning capabilities to understand complex clinical questions. While recent advancements in multimodal large language models (MLLMs) have improved medical question-answering (QA) tasks, most methods struggle to generate precise segmentation masks, limiting their application in automatic medical diagnosis. In this paper, we introduce medical image reasoning segmentation, a novel task that aims to generate segmentation masks based on complex and implicit medical instructions. To address this, we propose MedSeg-R, an end-to-end framework that leverages the reasoning abilities of MLLMs to interpret clinical questions while also capable of producing corresponding precise segmentation masks for medical images. It is built on two core components: 1) a global context understanding module that interprets images and comprehends complex medical instructions to generate multi-modal intermediate tokens, and 2) a pixel-level grounding module that decodes these tokens to produce precise segmentation masks and textual responses. Furthermore, we introduce MedSeg-QA, a large-scale dataset tailored for the medical image reasoning segmentation task. It includes over 10,000 image-mask pairs and multi-turn conversations, automatically annotated using large language models and refined through physician reviews. Experiments show MedSeg-R's superior performance across several benchmarks, achieving high segmentation accuracy and enabling interpretable textual analysis of medical images.
comment: {\dag}: Equal contribution
☆ Starting Positions Matter: A Study on Better Weight Initialization for Neural Network Quantization ICCV 2023
Deep neural network (DNN) quantization for fast, efficient inference has been an important tool in limiting the cost of machine learning (ML) model inference. Quantization-specific model development techniques such as regularization, quantization-aware training, and quantization-robustness penalties have served to greatly boost the accuracy and robustness of modern DNNs. However, very little exploration has been done on improving the initial conditions of DNN training for quantization. Just as random weight initialization has been shown to significantly impact test accuracy of floating point models, it would make sense that different weight initialization methods impact quantization robustness of trained models. We present an extensive study examining the effects of different weight initializations on a variety of CNN building blocks commonly used in efficient CNNs. This analysis reveals that even with varying CNN architectures, the choice of random weight initializer can significantly affect final quantization robustness. Next, we explore a new method for quantization-robust CNN initialization -- using Graph Hypernetworks (GHN) to predict parameters of quantized DNNs. Besides showing that GHN-predicted parameters are quantization-robust after regular float32 pretraining (of the GHN), we find that finetuning GHNs to predict parameters for quantized graphs (which we call GHN-QAT) can further improve quantized accuracy of CNNs. Notably, GHN-QAT shows significant accuracy improvements for even 4-bit quantization and better-than-random accuracy for 2-bits. To the best of our knowledge, this is the first in-depth study on quantization-aware DNN weight initialization. GHN-QAT offers a novel approach to quantized DNN model design. Future investigations, such as using GHN-QAT-initialized parameters for quantization-aware training, can further streamline the DNN quantization process.
comment: Portions of this article have been presented as extended abstracts at the ICCV 2023 Workshop on Low Bit Quantized Neural Networks (ICCVW-LBQNN 2023) and the 2020 Conference on Vision and Intelligent Systems (CVIS 2020). arXiv admin note: text overlap with arXiv:2011.14578, arXiv:2208.12489, arXiv:2309.13773
☆ Boosting Adversarial Transferability for Hyperspectral Image Classification Using 3D Structure-invariant Transformation and Intermediate Feature Distance
Deep Neural Networks (DNNs) are vulnerable to adversarial attacks, which pose security challenges to hyperspectral image (HSI) classification technologies based on DNNs. In the domain of natural images, numerous transfer-based adversarial attack methods have been studied. However, HSIs differ from natural images due to their high-dimensional and rich spectral information. Current research on HSI adversarial examples remains limited and faces challenges in fully utilizing the structural and feature information of images. To address these issues, this paper proposes a novel method to enhance the transferability of the adversarial examples for HSI classification models. First, while keeping the image structure unchanged, the proposed method randomly divides the image into blocks in both spatial and spectral dimensions. Then, various transformations are applied on a block by block basis to increase input diversity and mitigate overfitting. Second, a feature distancing loss targeting intermediate layers is designed, which measures the distance between the amplified features of the original examples and the features of the adversarial examples as the primary loss, while the output layer prediction serves as the auxiliary loss. This guides the perturbation to disrupt the features of the true class in adversarial examples, effectively enhancing transferability. Extensive experiments demonstrate that the adversarial examples generated by the proposed method achieve effective transferability to black-box models on two public HSI datasets. Furthermore, the method maintains robust attack performance even under defense strategies.
☆ Rethinking Generative Human Video Coding with Implicit Motion Transformation
Beyond traditional hybrid-based video codec, generative video codec could achieve promising compression performance by evolving high-dimensional signals into compact feature representations for bitstream compactness at the encoder side and developing explicit motion fields as intermediate supervision for high-quality reconstruction at the decoder side. This paradigm has achieved significant success in face video compression. However, compared to facial videos, human body videos pose greater challenges due to their more complex and diverse motion patterns, i.e., when using explicit motion guidance for Generative Human Video Coding (GHVC), the reconstruction results could suffer severe distortions and inaccurate motion. As such, this paper highlights the limitations of explicit motion-based approaches for human body video compression and investigates the GHVC performance improvement with the aid of Implicit Motion Transformation, namely IMT. In particular, we propose to characterize complex human body signal into compact visual features and transform these features into implicit motion guidance for signal reconstruction. Experimental results demonstrate the effectiveness of the proposed IMT paradigm, which can facilitate GHVC to achieve high-efficiency compression and high-fidelity synthesis.
☆ Towards Robust Multimodal Emotion Recognition under Missing Modalities and Distribution Shifts
Recent advancements in Multimodal Emotion Recognition (MER) face challenges in addressing both modality missing and Out-Of-Distribution (OOD) data simultaneously. Existing methods often rely on specific models or introduce excessive parameters, which limits their practicality. To address these issues, we propose a novel robust MER framework, Causal Inference Distiller (CIDer), and introduce a new task, Random Modality Feature Missing (RMFM), to generalize the definition of modality missing. CIDer integrates two key components: a Model-Specific Self-Distillation (MSSD) module and a Model-Agnostic Causal Inference (MACI) module. MSSD enhances robustness under the RMFM task through a weight-sharing self-distillation approach applied across low-level features, attention maps, and high-level representations. Additionally, a Word-level Self-aligned Attention Module (WSAM) reduces computational complexity, while a Multimodal Composite Transformer (MCT) facilitates efficient multimodal fusion. To tackle OOD challenges, MACI employs a tailored causal graph to mitigate label and language biases using a Multimodal Causal Module (MCM) and fine-grained counterfactual texts. Notably, MACI can independently enhance OOD generalization with minimal additional parameters. Furthermore, we also introduce the new repartitioned MER OOD datasets. Experimental results demonstrate that CIDer achieves robust performance in both RMFM and OOD scenarios, with fewer parameters and faster training compared to state-of-the-art methods. The implementation of this work is publicly accessible at https://github.com/gw-zhong/CIDer.
comment: Submitted to TAC. The code is available at https://github.com/gw-zhong/CIDer
☆ MF2Summ: Multimodal Fusion for Video Summarization with Temporal Alignment
The rapid proliferation of online video content necessitates effective video summarization techniques. Traditional methods, often relying on a single modality (typically visual), struggle to capture the full semantic richness of videos. This paper introduces MF2Summ, a novel video summarization model based on multimodal content understanding, integrating both visual and auditory information. MF2Summ employs a five-stage process: feature extraction, cross-modal attention interaction, feature fusion, segment prediction, and key shot selection. Visual features are extracted using a pre-trained GoogLeNet model, while auditory features are derived using SoundNet. The core of our fusion mechanism involves a cross-modal Transformer and an alignment-guided self-attention Transformer, designed to effectively model inter-modal dependencies and temporal correspondences. Segment importance, location, and center-ness are predicted, followed by key shot selection using Non-Maximum Suppression (NMS) and the Kernel Temporal Segmentation (KTS) algorithm. Experimental results on the SumMe and TVSum datasets demonstrate that MF2Summ achieves competitive performance, notably improving F1-scores by 1.9\% and 0.6\% respectively over the DSNet model, and performing favorably against other state-of-the-art methods.
♻ ☆ CAT: A Conditional Adaptation Tailor for Efficient and Effective Instance-Specific Pansharpening on Real-World Data
Pansharpening is a crucial remote sensing technique that fuses low-resolution multispectral (LRMS) images with high-resolution panchromatic (PAN) images to generate high-resolution multispectral (HRMS) imagery. Although deep learning techniques have significantly advanced pansharpening, many existing methods suffer from limited cross-sensor generalization and high computational overhead, restricting their real-time applications. To address these challenges, we propose an efficient framework that quickly adapts to a specific input instance, completing both training and inference in a short time. Our framework splits the input image into multiple patches, selects a subset for unsupervised CAT training, and then performs inference on all patches, stitching them into the final output. The CAT module, integrated between the feature extraction and channel transformation stages of a pre-trained network, tailors the fused features and fixes the parameters for efficient inference, generating improved results. Our approach offers two key advantages: (1) $\textit{Improved Generalization Ability}$: by mitigating cross-sensor degradation, our model--although pre-trained on a specific dataset--achieves superior performance on datasets captured by other sensors; (2) $\textit{Enhanced Computational Efficiency}$: the CAT-enhanced network can swiftly adapt to the test sample using the single LRMS-PAN pair input, without requiring extensive large-scale data retraining. Experiments on the real-world data from WorldView-3 and WorldView-2 datasets demonstrate that our method achieves state-of-the-art performance on cross-sensor real-world data, while achieving both training and inference of $512\times512$ image within $\textit{0.4 seconds}$ and $4000\times4000$ image within $\textit{3 seconds}$ at the fastest setting on a commonly used RTX 3090 GPU.
♻ ☆ Visually Descriptive Language Model for Vector Graphics Reasoning
Despite significant advancements, large multimodal models (LMMs) still struggle to bridge the gap between low-level visual perception -- focusing on shapes, sizes, and layouts -- and high-level language reasoning, such as semantics and logic. This limitation is evident in tasks that require precise visual perception, like comparing geometric properties or solving visual reasoning problems. To study this failure mode, we focus on vector graphics -- images composed of 2D objects and shapes, prevalent in LMM-based tasks in web, design, and OS environments. We identify two key research questions: how can we enable precise visual perception, and how can we facilitate high-level reasoning based on such low-level perceptions? To capture fine visual details, we use Scalable Vector Graphics (SVG) for accurate encoding of visual scenes. However, SVGs are not readily interpretable by LMMs in a zero-shot manner. To tackle this, we propose the Visually Descriptive Language Model (VDLM), which introduces a Primal Visual Description (PVD) as an intermediate textual representation. PVD translates SVGs into a text-based abstraction consisting of primitive attributes (e.g., shape, position, measurement) and their corresponding values. PVD can be learned using task-agnostic synthesized data and represents visual primitives that are universal across vector graphics. This abstraction is more structured, allowing for direct interpretation by foundation models for zero-shot generalization. Without human-annotated data, empirical results show that VDLM significantly improves state-of-the-art LMMs like GPT-4o on various multimodal perception and reasoning tasks. Extensive analyses of VDLM show improved interpretability due to its disentangled perception and reasoning. We also demonstrate a positive correlation between PVD quality and task performance. Project page: https://mikewangwzhl.github.io/VDLM/
comment: Project page: https://mikewangwzhl.github.io/VDLM/
♻ ☆ Object-Centric Latent Action Learning ICLR 2025
Leveraging vast amounts of unlabeled internet video data for embodied AI is currently bottlenecked by the lack of action labels and the presence of action-correlated visual distractors. Although recent latent action policy optimization (LAPO) has shown promise in inferring proxy-action labels from visual observations, its performance degrades significantly when distractors are present. To address this limitation, we propose a novel object-centric latent action learning framework that centers on objects rather than pixels. We leverage self-supervised object-centric pretraining to disentangle action-related and distracting dynamics. This allows LAPO to focus on task-relevant interactions, resulting in more robust proxy-action labels, enabling better imitation learning and efficient adaptation of the agent with just a few action-labeled trajectories. We evaluated our method in eight visually complex tasks across the Distracting Control Suite (DCS) and Distracting MetaWorld (DMW). Our results show that object-centric pretraining mitigates the negative effects of distractors by 50%, as measured by downstream task performance: average return (DCS) and success rate (DMW).
comment: Accepted by Workshop on World Models at ICLR 2025
♻ ☆ ViC-Bench: Benchmarking Visual-Interleaved Chain-of-Thought Capability in MLLMs with Free-Style Intermediate State Representations
Visual-Interleaved Chain-of-Thought (VI-CoT) enables MLLMs to continually update their understanding and decisions based on step-wise intermediate visual states (IVS), much like a human would, which demonstrates impressive success in various tasks, thereby leading to emerged advancements in related benchmarks. Despite promising progress, current benchmarks provide models with relatively fixed IVS, rather than free-style IVS, whch might forcibly distort the original thinking trajectories, failing to evaluate their intrinsic reasoning capabilities. More importantly, existing benchmarks neglect to systematically explore the impact factors that IVS would impart to untamed reasoning performance. To tackle above gaps, we introduce a specialized benchmark termed ViC-Bench, consisting of four representive tasks: maze navigation, jigsaw puzzle, embodied long-horizon planning, and complex counting, where each task has dedicated free-style IVS generation pipeline supporting function calls. To systematically examine VI-CoT capability, we propose a thorough evaluation suite incorporating a progressive three-stage strategy with targeted new metrics. Besides, we establish Incremental Prompting Information Injection (IPII) strategy to ablatively explore the prompting factors for VI-CoT. We extensively conduct evaluations for 18 advanced MLLMs, revealing key insights into their VI-CoT capability. Our proposed benchmark is publicly open at Huggingface.
♻ ☆ Q-Ponder: A Unified Training Pipeline for Reasoning-based Visual Quality Assessment
Recent studies demonstrate that multimodal large language models (MLLMs) can proficiently evaluate visual quality through interpretable assessments. However, existing approaches typically treat quality scoring and reasoning descriptions as separate tasks with disjoint optimization objectives, leading to a trade-off: models adept at quality reasoning descriptions struggle with precise score regression, while score-focused models lack interpretability. This limitation hinders the full potential of MLLMs in visual quality assessment, where accuracy and interpretability should be mutually reinforcing. To address this, we propose a unified two-stage training framework comprising a cold-start stage and a reinforcement learning-based fine-tuning stage. Specifically, in the first stage, we distill high-quality data from a teacher model through expert-designed prompts, initializing reasoning capabilities via cross-entropy loss supervision. In the second stage, we introduce a novel reward with Group Relative Policy Optimization (GRPO) to jointly optimize scoring accuracy and reasoning consistency. We designate the models derived from these two stages as Q-Ponder-CI and Q-Ponder. Extensive experiments show that Q-Ponder achieves state-of-the-art (SOTA) performance on quality score regression benchmarks, delivering up to 6.5% higher SRCC on cross-domain datasets. Furthermore, Q-Ponder significantly outperforms description-based SOTA models, including its teacher model Qwen-2.5-VL-72B, particularly in description accuracy and reasonableness, demonstrating the generalization potential over diverse tasks.
♻ ☆ Latent Action Learning Requires Supervision in the Presence of Distractors ICML 2025
Recently, latent action learning, pioneered by Latent Action Policies (LAPO), have shown remarkable pre-training efficiency on observation-only data, offering potential for leveraging vast amounts of video available on the web for embodied AI. However, prior work has focused on distractor-free data, where changes between observations are primarily explained by ground-truth actions. Unfortunately, real-world videos contain action-correlated distractors that may hinder latent action learning. Using Distracting Control Suite (DCS) we empirically investigate the effect of distractors on latent action learning and demonstrate that LAPO struggle in such scenario. We propose LAOM, a simple LAPO modification that improves the quality of latent actions by 8x, as measured by linear probing. Importantly, we show that providing supervision with ground-truth actions, as few as 2.5% of the full dataset, during latent action learning improves downstream performance by 4.2x on average. Our findings suggest that integrating supervision during Latent Action Models (LAM) training is critical in the presence of distractors, challenging the conventional pipeline of first learning LAM and only then decoding from latent to ground-truth actions.
comment: ICML 2025, Poster, Project Page: https://laom.dunnolab.ai/, Source code: https://github.com/dunnolab/laom
♻ ☆ Video-CoT: A Comprehensive Dataset for Spatiotemporal Understanding of Videos Based on Chain-of-Thought
Video content comprehension is essential for various applications, ranging from video analysis to interactive systems. Despite advancements in large-scale vision-language models (VLMs), these models often struggle to capture the nuanced, spatiotemporal details essential for thorough video analysis. To address this gap, we introduce Video-CoT, a groundbreaking dataset designed to enhance spatiotemporal understanding using Chain-of-Thought (CoT) methodologies. Video-CoT contains 192,000 fine-grained spa-tiotemporal question-answer pairs and 23,000 high-quality CoT-annotated samples, providing a solid foundation for evaluating spatiotemporal understanding in video comprehension. Additionally, we provide a comprehensive benchmark for assessing these tasks, with each task featuring 750 images and tailored evaluation metrics. Our extensive experiments reveal that current VLMs face significant challenges in achieving satisfactory performance, high-lighting the difficulties of effective spatiotemporal understanding. Overall, the Video-CoT dataset and benchmark open new avenues for research in multimedia understanding and support future innovations in intelligent systems requiring advanced video analysis capabilities. By making these resources publicly available, we aim to encourage further exploration in this critical area. Project website:https://video-cot.github.io/ .
♻ ☆ A Unit Enhancement and Guidance Framework for Audio-Driven Avatar Video Generation
Audio-driven human animation technology is widely used in human-computer interaction, and the emergence of diffusion models has further advanced its development. Currently, most methods rely on multi-stage generation and intermediate representations, resulting in long inference time and issues with generation quality in specific foreground regions and audio-motion consistency. These shortcomings are primarily due to the lack of localized fine-grained supervised guidance. To address above challenges, we propose Parts-aware Audio-driven Human Animation, PAHA, a unit enhancement and guidance framework for audio-driven upper-body animation. We introduce two key methods: Parts-Aware Re-weighting (PAR) and Parts Consistency Enhancement (PCE). PAR dynamically adjusts regional training loss weights based on pose confidence scores, effectively improving visual quality. PCE constructs and trains diffusion-based regional audio-visual classifiers to improve the consistency of motion and co-speech audio. Afterwards, we design two novel inference guidance methods for the foregoing classifiers, Sequential Guidance (SG) and Differential Guidance (DG), to balance efficiency and quality respectively. Additionally, we build CNAS, the first public Chinese News Anchor Speech dataset, to advance research and validation in this field. Extensive experimental results and user studies demonstrate that PAHA significantly outperforms existing methods in audio-motion alignment and video-related evaluations. The codes and CNAS dataset will be released upon acceptance.
comment: revised
♻ ☆ Towards Reliable Identification of Diffusion-based Image Manipulations
Changing facial expressions, gestures, or background details may dramatically alter the meaning conveyed by an image. Notably, recent advances in diffusion models greatly improve the quality of image manipulation while also opening the door to misuse. Identifying changes made to authentic images, thus, becomes an important task, constantly challenged by new diffusion-based editing tools. To this end, we propose a novel approach for ReliAble iDentification of inpainted AReas (RADAR). RADAR builds on existing foundation models and combines features from different image modalities. It also incorporates an auxiliary contrastive loss that helps to isolate manipulated image patches. We demonstrate these techniques to significantly improve both the accuracy of our method and its generalisation to a large number of diffusion models. To support realistic evaluation, we further introduce BBC-PAIR, a new comprehensive benchmark, with images tampered by 28 diffusion models. Our experiments show that RADAR achieves excellent results, outperforming the state-of-the-art in detecting and localising image edits made by both seen and unseen diffusion models. Our code, data and models will be publicly available at https://alex-costanzino.github.io/radar/.
comment: Project page at https://alex-costanzino.github.io/radar/
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data are available at https://github.com/yuleiqin/RAIF.
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ ODG: Occupancy Prediction Using Dual Gaussians
Occupancy prediction infers fine-grained 3D geometry and semantics from camera images of the surrounding environment, making it a critical perception task for autonomous driving. Existing methods either adopt dense grids as scene representation, which is difficult to scale to high resolution, or learn the entire scene using a single set of sparse queries, which is insufficient to handle the various object characteristics. In this paper, we present ODG, a hierarchical dual sparse Gaussian representation to effectively capture complex scene dynamics. Building upon the observation that driving scenes can be universally decomposed into static and dynamic counterparts, we define dual Gaussian queries to better model the diverse scene objects. We utilize a hierarchical Gaussian transformer to predict the occupied voxel centers and semantic classes along with the Gaussian parameters. Leveraging the real-time rendering capability of 3D Gaussian Splatting, we also impose rendering supervision with available depth and semantic map annotations injecting pixel-level alignment to boost occupancy learning. Extensive experiments on the Occ3D-nuScenes and Occ3D-Waymo benchmarks demonstrate our proposed method sets new state-of-the-art results while maintaining low inference cost.
♻ ☆ Consistent Story Generation with Asymmetry Zigzag Sampling
Text-to-image generation models have made significant progress in producing high-quality images from textual descriptions, yet they continue to struggle with maintaining subject consistency across multiple images, a fundamental requirement for visual storytelling. Existing methods attempt to address this by either fine-tuning models on large-scale story visualization datasets, which is resource-intensive, or by using training-free techniques that share information across generations, which still yield limited success. In this paper, we introduce a novel training-free sampling strategy called Zigzag Sampling with Asymmetric Prompts and Visual Sharing to enhance subject consistency in visual story generation. Our approach proposes a zigzag sampling mechanism that alternates between asymmetric prompting to retain subject characteristics, while a visual sharing module transfers visual cues across generated images to %further enforce consistency. Experimental results, based on both quantitative metrics and qualitative evaluations, demonstrate that our method significantly outperforms previous approaches in generating coherent and consistent visual stories. The code is available at https://github.com/Mingxiao-Li/Asymmetry-Zigzag-StoryDiffusion.
comment: 17 pages, 9. figures
♻ ☆ TDS-CLIP: Temporal Difference Side Network for Efficient VideoAction Recognition
Recently, large-scale pre-trained vision-language models (e.g., CLIP), have garnered significant attention thanks to their powerful representative capabilities. This inspires researchers in transferring the knowledge from these large pre-trained models to other task-specific models, e.g., Video Action Recognition (VAR) models, via particularly leveraging side networks to enhance the efficiency of parameter-efficient fine-tuning (PEFT). However, current transferring approaches in VAR tend to directly transfer the frozen knowledge from large pre-trained models to action recognition networks with minimal cost, instead of exploiting the temporal modeling capabilities of the action recognition models themselves. Therefore, in this paper, we propose a novel memory-efficient Temporal Difference Side Network (TDS-CLIP) to balance knowledge transferring and temporal modeling, avoiding backpropagation in frozen parameter models. Specifically, we introduce a Temporal Difference Adapter (TD-Adapter), which can effectively capture local temporal differences in motion features to strengthen the model's global temporal modeling capabilities. Furthermore, we designed a Side Motion Enhancement Adapter (SME-Adapter) to guide the proposed side network in efficiently learning the rich motion information in videos, thereby improving the side network's ability to capture and learn motion information. Extensive experiments are conducted on three benchmark datasets, including Something-Something V1&V2, and Kinetics-400. Experimental results show that our method achieves competitive performance in video action recognition tasks.
♻ ☆ Reinforcing Multimodal Understanding and Generation with Dual Self-rewards
Building upon large language models (LLMs), recent large multimodal models (LMMs) unify cross-model understanding and generation into a single framework. However, LMMs still struggle to achieve accurate image-text alignment, prone to generating text responses contradicting the visual input or failing to follow the text-to-image prompts. Current solutions require external supervision (e.g., human feedback or reward models) and only address unidirectional tasks-either understanding or generation. In this work, based on the observation that understanding and generation are inverse dual tasks, we introduce a self-supervised dual reward mechanism to reinforce the understanding and generation capabilities of LMMs. Specifically, we sample multiple outputs for a given input in one task domain, then reverse the input-output pairs to compute the dual likelihood of the model as self-rewards for optimization. Extensive experimental results on visual understanding and generation benchmarks demonstrate that our method can effectively enhance the performance of the model without any external supervision, especially achieving remarkable improvements in text-to-image tasks.
♻ ☆ Spike-TBR: a Noise Resilient Neuromorphic Event Representation
Event cameras offer significant advantages over traditional frame-based sensors, including higher temporal resolution, lower latency and dynamic range. However, efficiently converting event streams into formats compatible with standard computer vision pipelines remains a challenging problem, particularly in the presence of noise. In this paper, we propose Spike-TBR, a novel event-based encoding strategy based on Temporal Binary Representation (TBR), addressing its vulnerability to noise by integrating spiking neurons. Spike-TBR combines the frame-based advantages of TBR with the noise-filtering capabilities of spiking neural networks, creating a more robust representation of event streams. We evaluate four variants of Spike-TBR, each using different spiking neurons, across multiple datasets, demonstrating superior performance in noise-affected scenarios while improving the results on clean data. Our method bridges the gap between spike-based and frame-based processing, offering a simple noise-resilient solution for event-driven vision applications.
♻ ☆ CORT: Class-Oriented Real-time Tracking for Embedded Systems
The ever-increasing use of artificial intelligence in autonomous systems has significantly contributed to advance the research on multi-object tracking, adopted in several real-time applications (e.g., autonomous driving, surveillance drones, robotics) to localize and follow the trajectory of multiple objects moving in front of a camera. Current tracking algorithms can be divided into two main categories: some approaches introduce complex heuristics and re-identification models to improve the tracking accuracy and reduce the number of identification switches, without particular attention to the timing performance, whereas other approaches are aimed at reducing response times by removing the re-identification phase, thus penalizing the tracking accuracy. This work proposes a new approach to multi-class object tracking that allows achieving smaller and more predictable execution times, without penalizing the tracking performance. The idea is to reduce the problem of matching predictions with detections into smaller sub-problems by splitting the Hungarian matrix by class and invoking the second re-identification stage only when strictly necessary for a smaller number of elements. The proposed solution was evaluated in complex urban scenarios with several objects of different types (as cars, trucks, bikes, and pedestrians), showing the effectiveness of the multi-class approach with respect to state of the art trackers.
♻ ☆ DyFFPAD: Dynamic Fusion of Convolutional and Handcrafted Features for Fingerprint Presentation Attack Detection
Automatic fingerprint recognition systems suffer from the threat of presentation attacks due to their wide range of deployment in areas including national borders and commercial applications. A presentation attack can be performed by creating a spoof of a user's fingerprint with or without their consent. This paper presents a dynamic ensemble of deep CNN and handcrafted features to detect presentation attacks in known-material and unknown-material protocols of the liveness detection competition. The proposed presentation attack detection model, in this way, utilizes the capabilities of both deep CNN and handcrafted features techniques and exhibits better performance than their individual performances. We have validated our proposed method on benchmark databases from the Liveness Detection Competition in 2015, 2017, and 2019, yielding overall accuracy of 96.10%, 96.49%, and 94.99% on them, respectively. The proposed method outperforms state-of-the-art methods in terms of classification accuracy.
comment: arXiv admin note: text overlap with arXiv:2305.09397
♻ ☆ Few-Shot Learner Generalizes Across AI-Generated Image Detection ICML 2025
Current fake image detectors trained on large synthetic image datasets perform satisfactorily on limited studied generative models. However, these detectors suffer a notable performance decline over unseen models. Besides, collecting adequate training data from online generative models is often expensive or infeasible. To overcome these issues, we propose Few-Shot Detector (FSD), a novel AI-generated image detector which learns a specialized metric space for effectively distinguishing unseen fake images using very few samples. Experiments show that FSD achieves state-of-the-art performance by $+11.6\%$ average accuracy on the GenImage dataset with only $10$ additional samples. More importantly, our method is better capable of capturing the intra-category commonality in unseen images without further training. Our code is available at https://github.com/teheperinko541/Few-Shot-AIGI-Detector.
comment: 12 pages, 6 figures, Accepted at ICML 2025
♻ ☆ CapST: Leveraging Capsule Networks and Temporal Attention for Accurate Model Attribution in Deep-fake Videos
Deep-fake videos, generated through AI face-swapping techniques, have gained significant attention due to their potential for impactful impersonation attacks. While most research focuses on real vs. fake detection, attributing a deep-fake to its specific generation model or encoder is vital for forensic analysis, enabling source tracing and tailored countermeasures. This enhances detection by leveraging model-specific artifacts and supports proactive defenses. We investigate the model attribution problem for deep-fake videos using two datasets: Deepfakes from Different Models (DFDM) and GANGen-Detection, both comprising deep-fake videos and GAN-generated images. We use only fake images from GANGen-Detection to align with DFDM's focus on attribution rather than binary classification. We formulate the task as a multiclass classification problem and introduce a novel Capsule-Spatial-Temporal (CapST) model that integrates a truncated VGG19 network for feature extraction, capsule networks for hierarchical encoding, and a spatio-temporal attention mechanism. Video-level fusion captures temporal dependencies across frames. Experiments on DFDM and GANGen-Detection show CapST outperforms baseline models in attribution accuracy while reducing computational cost.
♻ ☆ Glimpse: Generalized Locality for Scalable and Robust CT
Deep learning has become the state-of-the-art approach to medical tomographic imaging. A common approach is to feed the result of a simple inversion, for example the backprojection, to a multiscale convolutional neural network (CNN) which computes the final reconstruction. Despite good results on in-distribution test data, this often results in overfitting certain large-scale structures and poor generalization on out-of-distribution (OOD) samples. Moreover, the memory and computational complexity of multiscale CNNs scale unfavorably with image resolution, making them impractical for application at realistic clinical resolutions. In this paper, we introduce Glimpse, a local coordinate-based neural network for computed tomography which reconstructs a pixel value by processing only the measurements associated with the neighborhood of the pixel. Glimpse significantly outperforms successful CNNs on OOD samples, while achieving comparable or better performance on in-distribution test data and maintaining a memory footprint almost independent of image resolution; 5GB memory suffices to train on 1024x1024 images which is orders of magnitude less than CNNs. Glimpse is fully differentiable and can be used plug-and-play in arbitrary deep learning architectures, enabling feats such as correcting miscalibrated projection orientations. Our implementation and Google Colab demo can be accessed at https://github.com/swing-research/Glimpse.
comment: 21 pages, 14 figures
♻ ☆ Aesthetics Without Semantics
While it is easy for human observers to judge an image as beautiful or ugly, aesthetic decisions result from a combination of entangled perceptual and cognitive (semantic) factors, making the understanding of aesthetic judgements particularly challenging from a scientific point of view. Furthermore, our research shows a prevailing bias in current databases, which include mostly beautiful images, further complicating the study and prediction of aesthetic responses. We address these limitations by creating a database of images with minimal semantic content and devising, and next exploiting, a method to generate images on the ugly side of aesthetic valuations. The resulting Minimum Semantic Content (MSC) database consists of a large and balanced collection of 10,426 images, each evaluated by 100 observers. We next use established image metrics to demonstrate how augmenting an image set biased towards beautiful images with ugly images can modify, or even invert, an observed relationship between image features and aesthetics valuation. Taken together, our study reveals that works in empirical aesthetics attempting to link image content and aesthetic judgements may magnify, underestimate, or simply miss interesting effects due to a limitation of the range of aesthetic values they consider.
comment: Parts of this work were presented in abstract format at the Vision Science of Art Conference (VSAC2016), the Iberian Conference on Perception (CIP2022), and the European Conference on Visual Perception (ECVP2022). See Perception 51, No1 (Suppl.) pp139, 2022)
♻ ☆ VScan: Rethinking Visual Token Reduction for Efficient Large Vision-Language Models
Recent Large Vision-Language Models (LVLMs) have advanced multi-modal understanding by incorporating finer-grained visual perception and encoding. However, such methods incur significant computational costs due to longer visual token sequences, posing challenges for real-time deployment. To mitigate this, prior studies have explored pruning unimportant visual tokens either at the output layer of the visual encoder or at the early layers of the language model. In this work, we revisit these design choices and reassess their effectiveness through comprehensive empirical studies of how visual tokens are processed throughout the visual encoding and language decoding stages. Guided by these insights, we propose VScan, a two-stage visual token reduction framework that addresses token redundancy by: (1) integrating complementary global and local scans with token merging during visual encoding, and (2) introducing pruning at intermediate layers of the language model. Extensive experimental results across four LVLMs validate the effectiveness of VScan in accelerating inference and demonstrate its superior performance over current state-of-the-arts on sixteen benchmarks. Notably, when applied to LLaVA-NeXT-7B, VScan achieves a 2.91$\times$ speedup in prefilling and a 10$\times$ reduction in FLOPs, while retaining 95.4\% of the original performance. Code is available at https://github.com/Tencent/SelfEvolvingAgent/tree/main/VScan.
comment: Changes from v1: Uploaded code link and fixed minor typos
♻ ☆ Expert Race: A Flexible Routing Strategy for Scaling Diffusion Transformer with Mixture of Experts
Diffusion models have emerged as mainstream framework in visual generation. Building upon this success, the integration of Mixture of Experts (MoE) methods has shown promise in enhancing model scalability and performance. In this paper, we introduce Race-DiT, a novel MoE model for diffusion transformers with a flexible routing strategy, Expert Race. By allowing tokens and experts to compete together and select the top candidates, the model learns to dynamically assign experts to critical tokens. Additionally, we propose per-layer regularization to address challenges in shallow layer learning, and router similarity loss to prevent mode collapse, ensuring better expert utilization. Extensive experiments on ImageNet validate the effectiveness of our approach, showcasing significant performance gains while promising scaling properties.
♻ ☆ InceptionMamba: An Efficient Hybrid Network with Large Band Convolution and Bottleneck Mamba
Within the family of convolutional neural networks, InceptionNeXt has shown excellent competitiveness in image classification and a number of downstream tasks. Built on parallel one-dimensional strip convolutions, however, it suffers from limited ability of capturing spatial dependencies along different dimensions and fails to fully explore spatial modeling in local neighborhood. Besides, inherent locality constraints of convolution operations are detrimental to effective global context modeling. To overcome these limitations, we propose a novel backbone architecture termed InceptionMamba in this study. More specifically, the traditional one-dimensional strip convolutions are replaced by orthogonal band convolutions in our InceptionMamba to achieve cohesive spatial modeling. Furthermore, global contextual modeling can be achieved via a bottleneck Mamba module, facilitating enhanced cross-channel information fusion and enlarged receptive field. Extensive evaluations on classification and various downstream tasks demonstrate that the proposed InceptionMamba achieves state-of-the-art performance with superior parameter and computational efficiency. The source code will be available at https://github.com/Wake1021/InceptionMamba.
Machine Learning 287
☆ Rethinking Losses for Diffusion Bridge Samplers
Diffusion bridges are a promising class of deep-learning methods for sampling from unnormalized distributions. Recent works show that the Log Variance (LV) loss consistently outperforms the reverse Kullback-Leibler (rKL) loss when using the reparametrization trick to compute rKL-gradients. While the on-policy LV loss yields identical gradients to the rKL loss when combined with the log-derivative trick for diffusion samplers with non-learnable forward processes, this equivalence does not hold for diffusion bridges or when diffusion coefficients are learned. Based on this insight we argue that for diffusion bridges the LV loss does not represent an optimization objective that can be motivated like the rKL loss via the data processing inequality. Our analysis shows that employing the rKL loss with the log-derivative trick (rKL-LD) does not only avoid these conceptual problems but also consistently outperforms the LV loss. Experimental results with different types of diffusion bridges on challenging benchmarks show that samplers trained with the rKL-LD loss achieve better performance. From a practical perspective we find that rKL-LD requires significantly less hyperparameter optimization and yields more stable training behavior.
☆ Fine-Grained Perturbation Guidance via Attention Head Selection
Recent guidance methods in diffusion models steer reverse sampling by perturbing the model to construct an implicit weak model and guide generation away from it. Among these approaches, attention perturbation has demonstrated strong empirical performance in unconditional scenarios where classifier-free guidance is not applicable. However, existing attention perturbation methods lack principled approaches for determining where perturbations should be applied, particularly in Diffusion Transformer (DiT) architectures where quality-relevant computations are distributed across layers. In this paper, we investigate the granularity of attention perturbations, ranging from the layer level down to individual attention heads, and discover that specific heads govern distinct visual concepts such as structure, style, and texture quality. Building on this insight, we propose "HeadHunter", a systematic framework for iteratively selecting attention heads that align with user-centric objectives, enabling fine-grained control over generation quality and visual attributes. In addition, we introduce SoftPAG, which linearly interpolates each selected head's attention map toward an identity matrix, providing a continuous knob to tune perturbation strength and suppress artifacts. Our approach not only mitigates the oversmoothing issues of existing layer-level perturbation but also enables targeted manipulation of specific visual styles through compositional head selection. We validate our method on modern large-scale DiT-based text-to-image models including Stable Diffusion 3 and FLUX.1, demonstrating superior performance in both general quality enhancement and style-specific guidance. Our work provides the first head-level analysis of attention perturbation in diffusion models, uncovering interpretable specialization within attention layers and enabling practical design of effective perturbation strategies.
comment: Project page: https://cvlab-kaist.github.io/HeadHunter/
☆ AutoMind: Adaptive Knowledgeable Agent for Automated Data Science
Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains limited. Existing frameworks depend on rigid, pre-defined workflows and inflexible coding strategies; consequently, they excel only on relatively simple, classical problems and fail to capture the empirical expertise that human practitioners bring to complex, innovative tasks. In this work, we introduce AutoMind, an adaptive, knowledgeable LLM-agent framework that overcomes these deficiencies through three key advances: (1) a curated expert knowledge base that grounds the agent in domain expert knowledge, (2) an agentic knowledgeable tree search algorithm that strategically explores possible solutions, and (3) a self-adaptive coding strategy that dynamically tailors code generation to task complexity. Evaluations on two automated data science benchmarks demonstrate that AutoMind delivers superior performance versus state-of-the-art baselines. Additional analyses confirm favorable effectiveness, efficiency, and qualitative solution quality, highlighting AutoMind as an efficient and robust step toward fully automated data science.
comment: Ongoing work. Code is at https://github.com/innovatingAI/AutoMind
☆ Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning
A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs
☆ Farseer: A Refined Scaling Law in Large Language Models
Training Large Language Models (LLMs) is prohibitively expensive, creating a critical scaling gap where insights from small-scale experiments often fail to transfer to resource-intensive production systems, thereby hindering efficient innovation. To bridge this, we introduce Farseer, a novel and refined scaling law offering enhanced predictive accuracy across scales. By systematically constructing a model loss surface $L(N,D)$, Farseer achieves a significantly better fit to empirical data than prior laws (e.g., Chinchilla's law). Our methodology yields accurate, robust, and highly generalizable predictions, demonstrating excellent extrapolation capabilities, improving upon Chinchilla's law by reducing extrapolation error by 433\%. This allows for the reliable evaluation of competing training strategies across all $(N,D)$ settings, enabling conclusions from small-scale ablation studies to be confidently extrapolated to predict large-scale performance. Furthermore, Farseer provides new insights into optimal compute allocation, better reflecting the nuanced demands of modern LLM training. To validate our approach, we trained an extensive suite of approximately 1,000 LLMs across diverse scales and configurations, consuming roughly 3 million NVIDIA H100 GPU hours. We are comprehensively open-sourcing all models, data, results, and logs at https://github.com/Farseer-Scaling-Law/Farseer to foster further research.
comment: 34
☆ What Exactly Does Guidance Do in Masked Discrete Diffusion Models
We study masked discrete diffusion models with classifier-free guidance (CFG). Assuming no score error nor discretization error, we derive an explicit solution to the guided reverse dynamics, so that how guidance influences the sampling behavior can be precisely characterized. When the full data distribution is a mixture over classes and the goal is to sample from a specific class, guidance amplifies class-specific regions while suppresses regions shared with other classes. This effect depends on the guidance strength $w$ and induces distinct covariance structures in the sampled distribution. Notably, we observe quantitatively different behaviors in $1$D and $2$D. We also show that for large $w$, the decay rate of the total variation ($\mathrm{TV}$) along the reverse dynamics is double-exponential in $w$ for both $1$D and $2$D. These findings highlight the role of guidance, not just in shaping the output distribution, but also in controlling the dynamics of the sampling trajectory. Our theoretical analysis is supported by experiments that illustrate the geometric effects of guidance and its impact on convergence.
☆ SpectralAR: Spectral Autoregressive Visual Generation
Autoregressive visual generation has garnered increasing attention due to its scalability and compatibility with other modalities compared with diffusion models. Most existing methods construct visual sequences as spatial patches for autoregressive generation. However, image patches are inherently parallel, contradicting the causal nature of autoregressive modeling. To address this, we propose a Spectral AutoRegressive (SpectralAR) visual generation framework, which realizes causality for visual sequences from the spectral perspective. Specifically, we first transform an image into ordered spectral tokens with Nested Spectral Tokenization, representing lower to higher frequency components. We then perform autoregressive generation in a coarse-to-fine manner with the sequences of spectral tokens. By considering different levels of detail in images, our SpectralAR achieves both sequence causality and token efficiency without bells and whistles. We conduct extensive experiments on ImageNet-1K for image reconstruction and autoregressive generation, and SpectralAR achieves 3.02 gFID with only 64 tokens and 310M parameters. Project page: https://huang-yh.github.io/spectralar/.
comment: Project Page: https://huang-yh.github.io/spectralar/
☆ ChineseHarm-Bench: A Chinese Harmful Content Detection Benchmark
Large language models (LLMs) have been increasingly applied to automated harmful content detection tasks, assisting moderators in identifying policy violations and improving the overall efficiency and accuracy of content review. However, existing resources for harmful content detection are predominantly focused on English, with Chinese datasets remaining scarce and often limited in scope. We present a comprehensive, professionally annotated benchmark for Chinese content harm detection, which covers six representative categories and is constructed entirely from real-world data. Our annotation process further yields a knowledge rule base that provides explicit expert knowledge to assist LLMs in Chinese harmful content detection. In addition, we propose a knowledge-augmented baseline that integrates both human-annotated knowledge rules and implicit knowledge from large language models, enabling smaller models to achieve performance comparable to state-of-the-art LLMs. Code and data are available at https://github.com/zjunlp/ChineseHarm-bench.
comment: Work in progress
☆ Understanding In-Context Learning on Structured Manifolds: Bridging Attention to Kernel Methods
While in-context learning (ICL) has achieved remarkable success in natural language and vision domains, its theoretical understanding--particularly in the context of structured geometric data--remains unexplored. In this work, we initiate a theoretical study of ICL for regression of H\"older functions on manifolds. By establishing a novel connection between the attention mechanism and classical kernel methods, we derive generalization error bounds in terms of the prompt length and the number of training tasks. When a sufficient number of training tasks are observed, transformers give rise to the minimax regression rate of H\"older functions on manifolds, which scales exponentially with the intrinsic dimension of the manifold, rather than the ambient space dimension. Our result also characterizes how the generalization error scales with the number of training tasks, shedding light on the complexity of transformers as in-context algorithm learners. Our findings provide foundational insights into the role of geometry in ICL and novels tools to study ICL of nonlinear models.
☆ ReGuidance: A Simple Diffusion Wrapper for Boosting Sample Quality on Hard Inverse Problems
There has been a flurry of activity around using pretrained diffusion models as informed data priors for solving inverse problems, and more generally around steering these models using reward models. Training-free methods like diffusion posterior sampling (DPS) and its many variants have offered flexible heuristic algorithms for these tasks, but when the reward is not informative enough, e.g., in hard inverse problems with low signal-to-noise ratio, these techniques veer off the data manifold, failing to produce realistic outputs. In this work, we devise a simple wrapper, ReGuidance, for boosting both the sample realism and reward achieved by these methods. Given a candidate solution $\hat{x}$ produced by an algorithm of the user's choice, we propose inverting the solution by running the unconditional probability flow ODE in reverse starting from $\hat{x}$, and then using the resulting latent as an initialization for DPS. We evaluate our wrapper on hard inverse problems like large box in-painting and super-resolution with high upscaling. Whereas state-of-the-art baselines visibly fail, we find that applying our wrapper on top of these baselines significantly boosts sample quality and measurement consistency. We complement these findings with theory proving that on certain multimodal data distributions, ReGuidance simultaneously boosts the reward and brings the candidate solution closer to the data manifold. To our knowledge, this constitutes the first rigorous algorithmic guarantee for DPS.
comment: 38 pages, 14 figures
☆ Build the web for agents, not agents for the web
Recent advancements in Large Language Models (LLMs) and multimodal counterparts have spurred significant interest in developing web agents -- AI systems capable of autonomously navigating and completing tasks within web environments. While holding tremendous promise for automating complex web interactions, current approaches face substantial challenges due to the fundamental mismatch between human-designed interfaces and LLM capabilities. Current methods struggle with the inherent complexity of web inputs, whether processing massive DOM trees, relying on screenshots augmented with additional information, or bypassing the user interface entirely through API interactions. This position paper advocates for a paradigm shift in web agent research: rather than forcing web agents to adapt to interfaces designed for humans, we should develop a new interaction paradigm specifically optimized for agentic capabilities. To this end, we introduce the concept of an Agentic Web Interface (AWI), an interface specifically designed for agents to navigate a website. We establish six guiding principles for AWI design, emphasizing safety, efficiency, and standardization, to account for the interests of all primary stakeholders. This reframing aims to overcome fundamental limitations of existing interfaces, paving the way for more efficient, reliable, and transparent web agent design, which will be a collaborative effort involving the broader ML community.
☆ Domain2Vec: Vectorizing Datasets to Find the Optimal Data Mixture without Training ICML2025
We introduce~\textsc{Domain2Vec}, a novel approach that decomposes any dataset into a linear combination of several \emph{meta-domains}, a new concept designed to capture the key underlying features of datasets. \textsc{Domain2Vec} maintains a vocabulary of meta-domains and uses a classifier to decompose any given dataset into a domain vector that corresponds to a distribution over this vocabulary. These domain vectors enable the identification of the optimal data mixture for language model (LM) pretraining in a training-free manner under the \emph{\textbf{D}istribution \textbf{A}lignment \textbf{A}ssumption} (DA$^{2}$), which suggests that when the data distributions of the training set and the validation set are better aligned, a lower validation loss is achieved. Moreover, \textsc{Domain2vec} can be seamlessly integrated into previous works to model the relationship between domain vectors and LM performance, greatly enhancing the efficiency and scalability of previous methods. Extensive experiments demonstrate that \textsc{Domain2Vec} helps find the data mixture that enhances downstream task performance with minimal computational overhead. Specifically, \textsc{Domain2Vec} achieves the same validation loss on Pile-CC using only $51.5\%$ of the computation required when training on the original mixture of The Pile dataset. Under equivalent compute budget, \textsc{Domain2Vec} improves downstream performance by an average of $2.83\%$.
comment: Accepted to ICML2025
☆ Execution Guided Line-by-Line Code Generation
We present a novel approach to neural code generation that incorporates real-time execution signals into the language model generation process. While large language models (LLMs) have demonstrated impressive code generation capabilities, they typically do not utilize execution feedback during inference, a critical signal that human programmers regularly leverage. Our method, Execution-Guided Classifier-Free Guidance (EG-CFG), dynamically incorporates execution signals as the model generates code, providing line-by-line feedback that guides the generation process toward executable solutions. EG-CFG employs a multi-stage process: first, we conduct beam search to sample candidate program completions for each line; second, we extract execution signals by executing these candidates against test cases; and finally, we incorporate these signals into the prompt during generation. By maintaining consistent signals across tokens within the same line and refreshing signals at line boundaries, our approach provides coherent guidance while preserving syntactic structure. Moreover, the method naturally supports native parallelism at the task level in which multiple agents operate in parallel, exploring diverse reasoning paths and collectively generating a broad set of candidate solutions. Our experiments across diverse coding tasks demonstrate that EG-CFG significantly improves code generation performance compared to standard approaches, achieving state-of-the-art results across various levels of complexity, from foundational problems to challenging competitive programming tasks. Our code is available at: https://github.com/boazlavon/eg_cfg
☆ Spurious Rewards: Rethinking Training Signals in RLVR
We show that reinforcement learning with verifiable rewards (RLVR) can elicit strong mathematical reasoning in certain models even with spurious rewards that have little, no, or even negative correlation with the correct answer. For example, RLVR improves MATH-500 performance for Qwen2.5-Math-7B in absolute points by 21.4% (random reward), 13.8% (format reward), 24.1% (incorrect label), 26.0% (1-shot RL), and 27.1% (majority voting) -- nearly matching the 29.1% gained with ground truth rewards. However, the spurious rewards that work for Qwen often fail to yield gains with other model families like Llama3 or OLMo2. In particular, we find code reasoning -- thinking in code without actual code execution -- to be a distinctive Qwen2.5-Math behavior that becomes significantly more frequent after RLVR, from 65% to over 90%, even with spurious rewards. Overall, we hypothesize that, given the lack of useful reward signal, RLVR must somehow be surfacing useful reasoning representations learned during pretraining, although the exact mechanism remains a topic for future work. We suggest that future RLVR research should possibly be validated on diverse models rather than a single de facto choice, as we show that it is easy to get significant performance gains on Qwen models even with completely spurious reward signals.
☆ GUARD: Guided Unlearning and Retention via Data Attribution for Large Language Models
Unlearning in large language models (LLMs) is becoming increasingly important due to regulatory compliance, copyright protection, and privacy concerns. However, a key challenge in LLM unlearning is unintended forgetting, where the removal of specific data inadvertently impairs the utility of the model and its retention of valuable, desired information. While prior work has primarily focused on architectural innovations, the influence of data-level factors on unlearning performance remains underexplored. As a result, existing methods often suffer from degraded retention when forgetting high-impact data. To address this, we propose GUARD-a novel framework for Guided Unlearning And Retention via Data attribution. At its core, GUARD introduces a lightweight proxy data attribution metric tailored for LLM unlearning, which quantifies the "alignment" between the forget and retain sets while remaining computationally efficient. Building on this, we design a novel unlearning objective that assigns adaptive, nonuniform unlearning weights to samples, inversely proportional to their proxy attribution scores. Through such a reallocation of unlearning power, GUARD mitigates unintended losses in retention. We provide rigorous theoretical guarantees that GUARD significantly enhances retention while maintaining forgetting metrics comparable to prior methods. Extensive experiments on the TOFU benchmark across multiple LLM architectures demonstrate that GUARD substantially improves utility preservation while ensuring effective unlearning. Notably, GUARD reduces utility sacrifice on the Retain Set by up to 194.92% in terms of Truth Ratio when forgetting 10% of the training data.
☆ Coupled reaction and diffusion governing interface evolution in solid-state batteries
Understanding and controlling the atomistic-level reactions governing the formation of the solid-electrolyte interphase (SEI) is crucial for the viability of next-generation solid state batteries. However, challenges persist due to difficulties in experimentally characterizing buried interfaces and limits in simulation speed and accuracy. We conduct large-scale explicit reactive simulations with quantum accuracy for a symmetric battery cell, {\symcell}, enabled by active learning and deep equivariant neural network interatomic potentials. To automatically characterize the coupled reactions and interdiffusion at the interface, we formulate and use unsupervised classification techniques based on clustering in the space of local atomic environments. Our analysis reveals the formation of a previously unreported crystalline disordered phase, Li$_2$S$_{0.72}$P$_{0.14}$Cl$_{0.14}$, in the SEI, that evaded previous predictions based purely on thermodynamics, underscoring the importance of explicit modeling of full reaction and transport kinetics. Our simulations agree with and explain experimental observations of the SEI formations and elucidate the Li creep mechanisms, critical to dendrite initiation, characterized by significant Li motion along the interface. Our approach is to crease a digital twin from first principles, without adjustable parameters fitted to experiment. As such, it offers capabilities to gain insights into atomistic dynamics governing complex heterogeneous processes in solid-state synthesis and electrochemistry.
☆ Self-Adapting Language Models
Large language models (LLMs) are powerful but static; they lack mechanisms to adapt their weights in response to new tasks, knowledge, or examples. We introduce Self-Adapting LLMs (SEAL), a framework that enables LLMs to self-adapt by generating their own finetuning data and update directives. Given a new input, the model produces a self-edit-a generation that may restructure the information in different ways, specify optimization hyperparameters, or invoke tools for data augmentation and gradient-based updates. Through supervised finetuning (SFT), these self-edits result in persistent weight updates, enabling lasting adaptation. To train the model to produce effective self-edits, we use a reinforcement learning loop with the downstream performance of the updated model as the reward signal. Unlike prior approaches that rely on separate adaptation modules or auxiliary networks, SEAL directly uses the model's own generation to control its adaptation process. Experiments on knowledge incorporation and few-shot generalization show that SEAL is a promising step toward language models capable of self-directed adaptation. Our website and code is available at https://jyopari.github.io/posts/seal.
☆ VINCIE: Unlocking In-context Image Editing from Video
In-context image editing aims to modify images based on a contextual sequence comprising text and previously generated images. Existing methods typically depend on task-specific pipelines and expert models (e.g., segmentation and inpainting) to curate training data. In this work, we explore whether an in-context image editing model can be learned directly from videos. We introduce a scalable approach to annotate videos as interleaved multimodal sequences. To effectively learn from this data, we design a block-causal diffusion transformer trained on three proxy tasks: next-image prediction, current segmentation prediction, and next-segmentation prediction. Additionally, we propose a novel multi-turn image editing benchmark to advance research in this area. Extensive experiments demonstrate that our model exhibits strong in-context image editing capabilities and achieves state-of-the-art results on two multi-turn image editing benchmarks. Despite being trained exclusively on videos, our model also shows promising abilities in multi-concept composition, story generation, and chain-of-editing applications.
comment: Project page: https://vincie2025.github.io/
☆ Developing a High-performance Framework for Speech Emotion Recognition in Naturalistic Conditions Challenge for Emotional Attribute Prediction
Speech emotion recognition (SER) in naturalistic conditions presents a significant challenge for the speech processing community. Challenges include disagreement in labeling among annotators and imbalanced data distributions. This paper presents a reproducible framework that achieves superior (top 1) performance in the Emotion Recognition in Naturalistic Conditions Challenge (IS25-SER Challenge) - Task 2, evaluated on the MSP-Podcast dataset. Our system is designed to tackle the aforementioned challenges through multimodal learning, multi-task learning, and imbalanced data handling. Specifically, our best system is trained by adding text embeddings, predicting gender, and including ``Other'' (O) and ``No Agreement'' (X) samples in the training set. Our system's results secured both first and second places in the IS25-SER Challenge, and the top performance was achieved by a simple two-system ensemble.
☆ On feature selection in double-imbalanced data settings: a Random Forest approach
Feature selection is a critical step in high-dimensional classification tasks, particularly under challenging conditions of double imbalance, namely settings characterized by both class imbalance in the response variable and dimensional asymmetry in the data $(n \gg p)$. In such scenarios, traditional feature selection methods applied to Random Forests (RF) often yield unstable or misleading importance rankings. This paper proposes a novel thresholding scheme for feature selection based on minimal depth, which exploits the tree topology to assess variable relevance. Extensive experiments on simulated and real-world datasets demonstrate that the proposed approach produces more parsimonious and accurate subsets of variables compared to conventional minimal depth-based selection. The method provides a practical and interpretable solution for variable selection in RF under double imbalance conditions.
comment: Working paper
☆ Robustly Improving LLM Fairness in Realistic Settings via Interpretability
Large language models (LLMs) are increasingly deployed in high-stakes hiring applications, making decisions that directly impact people's careers and livelihoods. While prior studies suggest simple anti-bias prompts can eliminate demographic biases in controlled evaluations, we find these mitigations fail when realistic contextual details are introduced. We address these failures through internal bias mitigation: by identifying and neutralizing sensitive attribute directions within model activations, we achieve robust bias reduction across all tested scenarios. Across leading commercial (GPT-4o, Claude 4 Sonnet, Gemini 2.5 Flash) and open-source models (Gemma-2 27B, Gemma-3, Mistral-24B), we find that adding realistic context such as company names, culture descriptions from public careers pages, and selective hiring constraints (e.g.,``only accept candidates in the top 10\%") induces significant racial and gender biases (up to 12\% differences in interview rates). When these biases emerge, they consistently favor Black over White candidates and female over male candidates across all tested models and scenarios. Moreover, models can infer demographics and become biased from subtle cues like college affiliations, with these biases remaining invisible even when inspecting the model's chain-of-thought reasoning. To address these limitations, our internal bias mitigation identifies race and gender-correlated directions and applies affine concept editing at inference time. Despite using directions from a simple synthetic dataset, the intervention generalizes robustly, consistently reducing bias to very low levels (typically under 1\%, always below 2.5\%) while largely maintaining model performance. Our findings suggest that practitioners deploying LLMs for hiring should adopt more realistic evaluation methodologies and consider internal mitigation strategies for equitable outcomes.
☆ Decomposing MLP Activations into Interpretable Features via Semi-Nonnegative Matrix Factorization
A central goal for mechanistic interpretability has been to identify the right units of analysis in large language models (LLMs) that causally explain their outputs. While early work focused on individual neurons, evidence that neurons often encode multiple concepts has motivated a shift toward analyzing directions in activation space. A key question is how to find directions that capture interpretable features in an unsupervised manner. Current methods rely on dictionary learning with sparse autoencoders (SAEs), commonly trained over residual stream activations to learn directions from scratch. However, SAEs often struggle in causal evaluations and lack intrinsic interpretability, as their learning is not explicitly tied to the computations of the model. Here, we tackle these limitations by directly decomposing MLP activations with semi-nonnegative matrix factorization (SNMF), such that the learned features are (a) sparse linear combinations of co-activated neurons, and (b) mapped to their activating inputs, making them directly interpretable. Experiments on Llama 3.1, Gemma 2 and GPT-2 show that SNMF derived features outperform SAEs and a strong supervised baseline (difference-in-means) on causal steering, while aligning with human-interpretable concepts. Further analysis reveals that specific neuron combinations are reused across semantically-related features, exposing a hierarchical structure in the MLP's activation space. Together, these results position SNMF as a simple and effective tool for identifying interpretable features and dissecting concept representations in LLMs.
Sequential-Parallel Duality in Prefix Scannable Models
Modern neural sequence models are designed to meet the dual mandate of parallelizable training and fast sequential inference. Recent developments have given rise to various models, such as Gated Linear Attention (GLA) and Mamba, that achieve such ``sequential-parallel duality.'' This raises a natural question: can we characterize the full class of neural sequence models that support near-constant-time parallel evaluation and linear-time, constant-space sequential inference? We begin by describing a broad class of such models -- state space models -- as those whose state updates can be computed using the classic parallel prefix scan algorithm with a custom associative aggregation operator. We then define a more general class, Prefix-Scannable Models (PSMs), by relaxing the state aggregation operator to allow arbitrary (potentially non-associative) functions such as softmax attention. This generalization unifies many existing architectures, including element-wise RNNs (e.g., Mamba) and linear transformers (e.g., GLA, Mamba2, mLSTM), while also introducing new models with softmax-like operators that achieve O(1) amortized compute per token and log(N) memory for sequence length N. We empirically evaluate such models on illustrative small-scale language modeling and canonical synthetic tasks, including state tracking and associative recall. Empirically, we find that PSMs retain the expressivity of transformer-based architectures while matching the inference efficiency of state space models -- in some cases exhibiting better length generalization than either.
☆ M4V: Multi-Modal Mamba for Text-to-Video Generation
Text-to-video generation has significantly enriched content creation and holds the potential to evolve into powerful world simulators. However, modeling the vast spatiotemporal space remains computationally demanding, particularly when employing Transformers, which incur quadratic complexity in sequence processing and thus limit practical applications. Recent advancements in linear-time sequence modeling, particularly the Mamba architecture, offer a more efficient alternative. Nevertheless, its plain design limits its direct applicability to multi-modal and spatiotemporal video generation tasks. To address these challenges, we introduce M4V, a Multi-Modal Mamba framework for text-to-video generation. Specifically, we propose a multi-modal diffusion Mamba (MM-DiM) block that enables seamless integration of multi-modal information and spatiotemporal modeling through a multi-modal token re-composition design. As a result, the Mamba blocks in M4V reduce FLOPs by 45% compared to the attention-based alternative when generating videos at 768$\times$1280 resolution. Additionally, to mitigate the visual quality degradation in long-context autoregressive generation processes, we introduce a reward learning strategy that further enhances per-frame visual realism. Extensive experiments on text-to-video benchmarks demonstrate M4V's ability to produce high-quality videos while significantly lowering computational costs. Code and models will be publicly available at https://huangjch526.github.io/M4V_project.
Foundation Models for Causal Inference via Prior-Data Fitted Networks
Prior-data fitted networks (PFNs) have recently been proposed as a promising way to train tabular foundation models. PFNs are transformers that are pre-trained on synthetic data generated from a prespecified prior distribution and that enable Bayesian inference through in-context learning. In this paper, we introduce CausalFM, a comprehensive framework for training PFN-based foundation models in various causal inference settings. First, we formalize the construction of Bayesian priors for causal inference based on structural causal models (SCMs) in a principled way and derive necessary criteria for the validity of such priors. Building on this, we propose a novel family of prior distributions using causality-inspired Bayesian neural networks that enable CausalFM to perform Bayesian causal inference in various settings, including back-door, front-door, and instrumental variable adjustment. Finally, we instantiate CausalFM and explicitly train a foundation model for estimating conditional average treatment effects (CATEs) using back-door adjustment. We show that CausalFM performs competitively for CATE estimation using various synthetic and semi-synthetic benchmarks. In sum, our framework can be used as a general recipe to train foundation models for various causal inference settings. In contrast to the current state-of-the-art in causal inference, CausalFM offers a novel paradigm with the potential to fundamentally change how practitioners perform causal inference in medicine, economics, and other disciplines.
☆ NoLoCo: No-all-reduce Low Communication Training Method for Large Models
Training large language models is generally done via optimization methods on clusters containing tens of thousands of accelerators, communicating over a high-bandwidth interconnect. Scaling up these clusters is expensive and can become impractical, imposing limits on the size of models that can be trained. Several recent studies have proposed training methods that are less communication intensive, avoiding the need for a highly connected compute cluster. These state-of-the-art low communication training methods still employ a synchronization step for model parameters, which, when performed over all model replicas, can become costly on a low-bandwidth network. In this work, we propose a novel optimization method, NoLoCo, that does not explicitly synchronize all model parameters during training and, as a result, does not require any collective communication. NoLoCo implicitly synchronizes model weights via a novel variant of the Nesterov momentum optimizer by partially averaging model weights with a randomly selected other one. We provide both a theoretical convergence analysis for our proposed optimizer as well as empirical results from language model training. We benchmark NoLoCo on a wide range of accelerator counts and model sizes, between 125M to 6.8B parameters. Our method requires significantly less communication overhead than fully sharded data parallel training or even widely used low communication training method, DiLoCo. The synchronization step itself is estimated to be one magnitude faster than the all-reduce used in DiLoCo for few hundred accelerators training over the internet. We also do not have any global blocking communication that reduces accelerator idling time. Compared to DiLoCo, we also observe up to $4\%$ faster convergence rate with wide range of model sizes and accelerator counts.
☆ Probably Approximately Correct Labels
Obtaining high-quality labeled datasets is often costly, requiring either extensive human annotation or expensive experiments. We propose a method that supplements such "expert" labels with AI predictions from pre-trained models to construct labeled datasets more cost-effectively. Our approach results in probably approximately correct labels: with high probability, the overall labeling error is small. This solution enables rigorous yet efficient dataset curation using modern AI models. We demonstrate the benefits of the methodology through text annotation with large language models, image labeling with pre-trained vision models, and protein folding analysis with AlphaFold.
☆ Demystifying Spectral Feature Learning for Instrumental Variable Regression
We address the problem of causal effect estimation in the presence of hidden confounders, using nonparametric instrumental variable (IV) regression. A leading strategy employs spectral features - that is, learned features spanning the top eigensubspaces of the operator linking treatments to instruments. We derive a generalization error bound for a two-stage least squares estimator based on spectral features, and gain insights into the method's performance and failure modes. We show that performance depends on two key factors, leading to a clear taxonomy of outcomes. In a good scenario, the approach is optimal. This occurs with strong spectral alignment, meaning the structural function is well-represented by the top eigenfunctions of the conditional operator, coupled with this operator's slow eigenvalue decay, indicating a strong instrument. Performance degrades in a bad scenario: spectral alignment remains strong, but rapid eigenvalue decay (indicating a weaker instrument) demands significantly more samples for effective feature learning. Finally, in the ugly scenario, weak spectral alignment causes the method to fail, regardless of the eigenvalues' characteristics. Our synthetic experiments empirically validate this taxonomy.
☆ The Diffusion Duality ICML 2025
Uniform-state discrete diffusion models hold the promise of fast text generation due to their inherent ability to self-correct. However, they are typically outperformed by autoregressive models and masked diffusion models. In this work, we narrow this performance gap by leveraging a key insight: Uniform-state diffusion processes naturally emerge from an underlying Gaussian diffusion. Our method, Duo, transfers powerful techniques from Gaussian diffusion to improve both training and sampling. First, we introduce a curriculum learning strategy guided by the Gaussian process, doubling training speed by reducing variance. Models trained with curriculum learning surpass autoregressive models in zero-shot perplexity on 3 of 7 benchmarks. Second, we present Discrete Consistency Distillation, which adapts consistency distillation from the continuous to the discrete setting. This algorithm unlocks few-step generation in diffusion language models by accelerating sampling by two orders of magnitude. We provide the code and model checkpoints on the project page: http://s-sahoo.github.io/duo
comment: ICML 2025. We provide the code at: https://github.com/s-sahoo/duo
☆ Lattice Climber Attack: Adversarial attacks for randomized mixtures of classifiers
Finite mixtures of classifiers (a.k.a. randomized ensembles) have been proposed as a way to improve robustness against adversarial attacks. However, existing attacks have been shown to not suit this kind of classifier. In this paper, we discuss the problem of attacking a mixture in a principled way and introduce two desirable properties of attacks based on a geometrical analysis of the problem (effectiveness and maximality). We then show that existing attacks do not meet both of these properties. Finally, we introduce a new attack called {\em lattice climber attack} with theoretical guarantees in the binary linear setting, and demonstrate its performance by conducting experiments on synthetic and real datasets.
comment: 17 pages including bibliography + 13 pages of supplementary material. Extended version of the article accepted at ECML 2025
☆ Generalization or Hallucination? Understanding Out-of-Context Reasoning in Transformers
Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.
☆ A Goemans-Williamson type algorithm for identifying subcohorts in clinical trials
We design an efficient algorithm that outputs a linear classifier for identifying homogeneous subsets (equivalently subcohorts) from large inhomogeneous datasets. Our theoretical contribution is a rounding technique, similar to that of Goemans and Williamson (1994), that approximates the optimal solution of the underlying optimization problem within a factor of $0.82$. As an application, we use our algorithm to design a simple test that can identify homogeneous subcohorts of patients, that are mainly comprised of metastatic cases, from the RNA microarray dataset for breast cancer by Curtis et al. (2012). Furthermore, we also use the test output by the algorithm to systematically identify subcohorts of patients in which statistically significant changes in methylation levels of tumor suppressor genes co-occur with statistically significant changes in nuclear receptor expression. Identifying such homogeneous subcohorts of patients can be useful for the discovery of disease pathways and therapeutics, specific to the subcohort.
☆ Data-Driven Prediction of Dynamic Interactions Between Robot Appendage and Granular Material
An alternative data-driven modeling approach has been proposed and employed to gain fundamental insights into robot motion interaction with granular terrain at certain length scales. The approach is based on an integration of dimension reduction (Sequentially Truncated Higher-Order Singular Value Decomposition), surrogate modeling (Gaussian Process), and data assimilation techniques (Reduced Order Particle Filter). This approach can be used online and is based on offline data, obtained from the offline collection of high-fidelity simulation data and a set of sparse experimental data. The results have shown that orders of magnitude reduction in computational time can be obtained from the proposed data-driven modeling approach compared with physics-based high-fidelity simulations. With only simulation data as input, the data-driven prediction technique can generate predictions that have comparable accuracy as simulations. With both simulation data and sparse physical experimental measurement as input, the data-driven approach with its embedded data assimilation techniques has the potential in outperforming only high-fidelity simulations for the long-horizon predictions. In addition, it is demonstrated that the data-driven modeling approach can also reproduce the scaling relationship recovered by physics-based simulations for maximum resistive forces, which may indicate its general predictability beyond a case-by-case basis. The results are expected to help robot navigation and exploration in unknown and complex terrains during both online and offline phases.
☆ The Gittins Index: A Design Principle for Decision-Making Under Uncertainty
The Gittins index is a tool that optimally solves a variety of decision-making problems involving uncertainty, including multi-armed bandit problems, minimizing mean latency in queues, and search problems like the Pandora's box model. However, despite the above examples and later extensions thereof, the space of problems that the Gittins index can solve perfectly optimally is limited, and its definition is rather subtle compared to those of other multi-armed bandit algorithms. As a result, the Gittins index is often regarded as being primarily a concept of theoretical importance, rather than a practical tool for solving decision-making problems. The aim of this tutorial is to demonstrate that the Gittins index can be fruitfully applied to practical problems. We start by giving an example-driven introduction to the Gittins index, then walk through several examples of problems it solves - some optimally, some suboptimally but still with excellent performance. Two practical highlights in the latter category are applying the Gittins index to Bayesian optimization, and applying the Gittins index to minimizing tail latency in queues.
☆ Viability of Future Actions: Robust Safety in Reinforcement Learning via Entropy Regularization KDD 2025
Despite the many recent advances in reinforcement learning (RL), the question of learning policies that robustly satisfy state constraints under unknown disturbances remains open. In this paper, we offer a new perspective on achieving robust safety by analyzing the interplay between two well-established techniques in model-free RL: entropy regularization, and constraints penalization. We reveal empirically that entropy regularization in constrained RL inherently biases learning toward maximizing the number of future viable actions, thereby promoting constraints satisfaction robust to action noise. Furthermore, we show that by relaxing strict safety constraints through penalties, the constrained RL problem can be approximated arbitrarily closely by an unconstrained one and thus solved using standard model-free RL. This reformulation preserves both safety and optimality while empirically improving resilience to disturbances. Our results indicate that the connection between entropy regularization and robustness is a promising avenue for further empirical and theoretical investigation, as it enables robust safety in RL through simple reward shaping.
comment: 24 pages, 11 figures, 2 tables. Accepted for publication at ECML-PKDD 2025
☆ OmniFluids: Unified Physics Pre-trained Modeling of Fluid Dynamics
High-fidelity and efficient simulation of fluid dynamics drive progress in various scientific and engineering applications. Traditional computational fluid dynamics methods offer strong interpretability and guaranteed convergence, but rely on fine spatial and temporal meshes, incurring prohibitive computational costs. Physics-informed neural networks (PINNs) and neural operators aim to accelerate PDE solvers using deep learning techniques. However, PINNs require extensive retraining and careful tuning, and purely data-driven operators demand large labeled datasets. Hybrid physics-aware methods embed numerical discretizations into network architectures or loss functions, but achieve marginal speed gains and become unstable when balancing coarse priors against high-fidelity measurements. To this end, we introduce OmniFluids, a unified physics pre-trained operator learning framework that integrates physics-only pre-training, coarse-grid operator distillation, and few-shot fine-tuning, which enables fast inference and accurate prediction under limited or zero data supervision. For architectural design, the key components of OmniFluids include a mixture of operators, a multi-frame decoder, and factorized Fourier layers, which enable efficient and scalable modeling of diverse physical tasks while maintaining seamless integration with physics-based supervision. Across a broad range of two- and three-dimensional benchmarks, OmniFluids significantly outperforms state-of-the-art AI-driven methods in flow field reconstruction and turbulence statistics accuracy, delivering 10-100x speedups compared to classical solvers, and accurately recovers unknown physical parameters from sparse, noisy data. This work establishes a new paradigm for efficient and generalizable surrogate modeling in complex fluid systems under limited data availability.
☆ Energy-Efficient Deep Learning for Traffic Classification on Microcontrollers
In this paper, we present a practical deep learning (DL) approach for energy-efficient traffic classification (TC) on resource-limited microcontrollers, which are widely used in IoT-based smart systems and communication networks. Our objective is to balance accuracy, computational efficiency, and real-world deployability. To that end, we develop a lightweight 1D-CNN, optimized via hardware-aware neural architecture search (HW-NAS), which achieves 96.59% accuracy on the ISCX VPN-NonVPN dataset with only 88.26K parameters, a 20.12K maximum tensor size, and 10.08M floating-point operations (FLOPs). Moreover, it generalizes across various TC tasks, with accuracies ranging from 94% to 99%. To enable deployment, the model is quantized to INT8, suffering only a marginal 1-2% accuracy drop relative to its Float32 counterpart. We evaluate real-world inference performance on two microcontrollers: the high-performance STM32F746G-DISCO and the cost-sensitive Nucleo-F401RE. The deployed model achieves inference latencies of 31.43ms and 115.40ms, with energy consumption of 7.86 mJ and 29.10 mJ per inference, respectively. These results demonstrate the feasibility of on-device encrypted traffic analysis, paving the way for scalable, low-power IoT security solutions.
comment: Accepted at IEEE ISCC 2025
☆ Accelerating Diffusion Large Language Models with SlowFast: The Three Golden Principles
Diffusion-based language models (dLLMs) have emerged as a promising alternative to traditional autoregressive LLMs by enabling parallel token generation and significantly reducing inference latency. However, existing sampling strategies for dLLMs, such as confidence-based or semi-autoregressive decoding, often suffer from static behavior, leading to suboptimal efficiency and limited flexibility. In this paper, we propose SlowFast Sampling, a novel dynamic sampling strategy that adaptively alternates between exploratory and accelerated decoding stages. Our method is guided by three golden principles: certainty principle, convergence principle, and positional principle, which govern when and where tokens can be confidently and efficiently decoded. We further integrate our strategy with dLLM-Cache to reduce redundant computation. Extensive experiments across benchmarks and models show that SlowFast Sampling achieves up to 15.63$\times$ speedup on LLaDA with minimal accuracy drop, and up to 34.22$\times$ when combined with caching. Notably, our approach outperforms strong autoregressive baselines like LLaMA3 8B in throughput, demonstrating that well-designed sampling can unlock the full potential of dLLMs for fast and high-quality generation.
comment: 11 pages; 5 figures;
☆ Advanced fraud detection using machine learning models: enhancing financial transaction security
The rise of digital payments has accelerated the need for intelligent and scalable systems to detect fraud. This research presents an end-to-end, feature-rich machine learning framework for detecting credit card transaction anomalies and fraud using real-world data. The study begins by merging transactional, cardholder, merchant, and merchant category datasets from a relational database to create a unified analytical view. Through the feature engineering process, we extract behavioural signals such as average spending, deviation from historical patterns, transaction timing irregularities, and category frequency metrics. These features are enriched with temporal markers such as hour, day of week, and weekend indicators to expose all latent patterns that indicate fraudulent behaviours. Exploratory data analysis reveals contextual transaction trends across all the dataset features. Using the transactional data, we train and evaluate a range of unsupervised models: Isolation Forest, One Class SVM, and a deep autoencoder trained to reconstruct normal behavior. These models flag the top 1% of reconstruction errors as outliers. PCA visualizations illustrate each models ability to separate anomalies into a two-dimensional latent space. We further segment the transaction landscape using K-Means clustering and DBSCAN to identify dense clusters of normal activity and isolate sparse, suspicious regions.
☆ Efficiency Robustness of Dynamic Deep Learning Systems
Deep Learning Systems (DLSs) are increasingly deployed in real-time applications, including those in resourceconstrained environments such as mobile and IoT devices. To address efficiency challenges, Dynamic Deep Learning Systems (DDLSs) adapt inference computation based on input complexity, reducing overhead. While this dynamic behavior improves efficiency, such behavior introduces new attack surfaces. In particular, efficiency adversarial attacks exploit these dynamic mechanisms to degrade system performance. This paper systematically explores efficiency robustness of DDLSs, presenting the first comprehensive taxonomy of efficiency attacks. We categorize these attacks based on three dynamic behaviors: (i) attacks on dynamic computations per inference, (ii) attacks on dynamic inference iterations, and (iii) attacks on dynamic output production for downstream tasks. Through an in-depth evaluation, we analyze adversarial strategies that target DDLSs efficiency and identify key challenges in securing these systems. In addition, we investigate existing defense mechanisms, demonstrating their limitations against increasingly popular efficiency attacks and the necessity for novel mitigation strategies to secure future adaptive DDLSs.
comment: Accepted to USENIX Security '25
☆ Detecting High-Stakes Interactions with Activation Probes
Monitoring is an important aspect of safely deploying Large Language Models (LLMs). This paper examines activation probes for detecting "high-stakes" interactions -- where the text indicates that the interaction might lead to significant harm -- as a critical, yet underexplored, target for such monitoring. We evaluate several probe architectures trained on synthetic data, and find them to exhibit robust generalization to diverse, out-of-distribution, real-world data. Probes' performance is comparable to that of prompted or finetuned medium-sized LLM monitors, while offering computational savings of six orders-of-magnitude. Our experiments also highlight the potential of building resource-aware hierarchical monitoring systems, where probes serve as an efficient initial filter and flag cases for more expensive downstream analysis. We release our novel synthetic dataset and codebase to encourage further study.
comment: 33 pages
☆ Dense Associative Memory with Epanechnikov Energy
We propose a novel energy function for Dense Associative Memory (DenseAM) networks, the log-sum-ReLU (LSR), inspired by optimal kernel density estimation. Unlike the common log-sum-exponential (LSE) function, LSR is based on the Epanechnikov kernel and enables exact memory retrieval with exponential capacity without requiring exponential separation functions. Moreover, it introduces abundant additional \emph{emergent} local minima while preserving perfect pattern recovery -- a characteristic previously unseen in DenseAM literature. Empirical results show that LSR energy has significantly more local minima (memories) that have comparable log-likelihood to LSE-based models. Analysis of LSR's emergent memories on image datasets reveals a degree of creativity and novelty, hinting at this method's potential for both large-scale memory storage and generative tasks.
☆ SlotPi: Physics-informed Object-centric Reasoning Models
Understanding and reasoning about dynamics governed by physical laws through visual observation, akin to human capabilities in the real world, poses significant challenges. Currently, object-centric dynamic simulation methods, which emulate human behavior, have achieved notable progress but overlook two critical aspects: 1) the integration of physical knowledge into models. Humans gain physical insights by observing the world and apply this knowledge to accurately reason about various dynamic scenarios; 2) the validation of model adaptability across diverse scenarios. Real-world dynamics, especially those involving fluids and objects, demand models that not only capture object interactions but also simulate fluid flow characteristics. To address these gaps, we introduce SlotPi, a slot-based physics-informed object-centric reasoning model. SlotPi integrates a physical module based on Hamiltonian principles with a spatio-temporal prediction module for dynamic forecasting. Our experiments highlight the model's strengths in tasks such as prediction and Visual Question Answering (VQA) on benchmark and fluid datasets. Furthermore, we have created a real-world dataset encompassing object interactions, fluid dynamics, and fluid-object interactions, on which we validated our model's capabilities. The model's robust performance across all datasets underscores its strong adaptability, laying a foundation for developing more advanced world models.
☆ Monotone Classification with Relative Approximations
In monotone classification, the input is a multi-set $P$ of points in $\mathbb{R}^d$, each associated with a hidden label from $\{-1, 1\}$. The goal is to identify a monotone function $h$, which acts as a classifier, mapping from $\mathbb{R}^d$ to $\{-1, 1\}$ with a small {\em error}, measured as the number of points $p \in P$ whose labels differ from the function values $h(p)$. The cost of an algorithm is defined as the number of points having their labels revealed. This article presents the first study on the lowest cost required to find a monotone classifier whose error is at most $(1 + \epsilon) \cdot k^*$ where $\epsilon \ge 0$ and $k^*$ is the minimum error achieved by an optimal monotone classifier -- in other words, the error is allowed to exceed the optimal by at most a relative factor. Nearly matching upper and lower bounds are presented for the full range of $\epsilon$. All previous work on the problem can only achieve an error higher than the optimal by an absolute factor.
☆ Skillful joint probabilistic weather forecasting from marginals
Machine learning (ML)-based weather models have rapidly risen to prominence due to their greater accuracy and speed than traditional forecasts based on numerical weather prediction (NWP), recently outperforming traditional ensembles in global probabilistic weather forecasting. This paper presents FGN, a simple, scalable and flexible modeling approach which significantly outperforms the current state-of-the-art models. FGN generates ensembles via learned model-perturbations with an ensemble of appropriately constrained models. It is trained directly to minimize the continuous rank probability score (CRPS) of per-location forecasts. It produces state-of-the-art ensemble forecasts as measured by a range of deterministic and probabilistic metrics, makes skillful ensemble tropical cyclone track predictions, and captures joint spatial structure despite being trained only on marginals.
☆ OPT-BENCH: Evaluating LLM Agent on Large-Scale Search Spaces Optimization Problems
Large Language Models (LLMs) have shown remarkable capabilities in solving diverse tasks. However, their proficiency in iteratively optimizing complex solutions through learning from previous feedback remains insufficiently explored. To bridge this gap, we present OPT-BENCH, a comprehensive benchmark designed to evaluate LLM agents on large-scale search space optimization problems. OPT-BENCH includes 20 real-world machine learning tasks sourced from Kaggle and 10 classical NP problems, offering a diverse and challenging environment for assessing LLM agents on iterative reasoning and solution refinement. To enable rigorous evaluation, we introduce OPT-Agent, an end-to-end optimization framework that emulates human reasoning when tackling complex problems by generating, validating, and iteratively improving solutions through leveraging historical feedback. Through extensive experiments on 9 state-of-the-art LLMs from 6 model families, we analyze the effects of optimization iterations, temperature settings, and model architectures on solution quality and convergence. Our results demonstrate that incorporating historical context significantly enhances optimization performance across both ML and NP tasks. All datasets, code, and evaluation tools are open-sourced to promote further research in advancing LLM-driven optimization and iterative reasoning. Project page: \href{https://github.com/OliverLeeXZ/OPT-BENCH}{https://github.com/OliverLeeXZ/OPT-BENCH}.
☆ Neural at ArchEHR-QA 2025: Agentic Prompt Optimization for Evidence-Grounded Clinical Question Answering
Automated question answering (QA) over electronic health records (EHRs) can bridge critical information gaps for clinicians and patients, yet it demands both precise evidence retrieval and faithful answer generation under limited supervision. In this work, we present Neural, the runner-up in the BioNLP 2025 ArchEHR-QA shared task on evidence-grounded clinical QA. Our proposed method decouples the task into (1) sentence-level evidence identification and (2) answer synthesis with explicit citations. For each stage, we automatically explore the prompt space with DSPy's MIPROv2 optimizer, jointly tuning instructions and few-shot demonstrations on the development set. A self-consistency voting scheme further improves evidence recall without sacrificing precision. On the hidden test set, our method attains an overall score of 51.5, placing second stage while outperforming standard zero-shot and few-shot prompting by over 20 and 10 points, respectively. These results indicate that data-driven prompt optimization is a cost-effective alternative to model fine-tuning for high-stakes clinical QA, advancing the reliability of AI assistants in healthcare.
☆ PREMISE: Scalable and Strategic Prompt Optimization for Efficient Mathematical Reasoning in Large Models
Large reasoning models (LRMs) such as Claude 3.7 Sonnet and OpenAI o1 achieve strong performance on mathematical benchmarks using lengthy chain-of-thought (CoT) reasoning, but the resulting traces are often unnecessarily verbose. This inflates token usage and cost, limiting deployment in latency-sensitive or API-constrained settings. We introduce PREMISE (PRompt-based Efficient Mathematical Inference with Strategic Evaluation), a prompt-only framework that reduces reasoning overhead without modifying model weights. PREMISE combines trace-level diagnostics with gradient-inspired prompt optimization to minimize redundant computation while preserving answer accuracy. The approach jointly optimizes brevity and correctness through a multi-objective textual search that balances token length and answer validity. Unlike prior work, PREMISE runs in a single-pass black-box interface, so it can be applied directly to commercial LLMs. On GSM8K, SVAMP, and Math500 we match or exceed baseline accuracy ($96\%\rightarrow96\%$ with Claude, $91\%\rightarrow92\%$ with Gemini) while reducing reasoning tokens by up to $87.5\%$ and cutting dollar cost by $69$--$82\%$. These results show that prompt-level optimization is a practical and scalable path to efficient LRM inference without compromising reasoning quality.
☆ Continual Hyperbolic Learning of Instances and Classes
Continual learning has traditionally focused on classifying either instances or classes, but real-world applications, such as robotics and self-driving cars, require models to handle both simultaneously. To mirror real-life scenarios, we introduce the task of continual learning of instances and classes, at the same time. This task challenges models to adapt to multiple levels of granularity over time, which requires balancing fine-grained instance recognition with coarse-grained class generalization. In this paper, we identify that classes and instances naturally form a hierarchical structure. To model these hierarchical relationships, we propose HyperCLIC, a continual learning algorithm that leverages hyperbolic space, which is uniquely suited for hierarchical data due to its ability to represent tree-like structures with low distortion and compact embeddings. Our framework incorporates hyperbolic classification and distillation objectives, enabling the continual embedding of hierarchical relations. To evaluate performance across multiple granularities, we introduce continual hierarchical metrics. We validate our approach on EgoObjects, the only dataset that captures the complexity of hierarchical object recognition in dynamic real-world environments. Empirical results show that HyperCLIC operates effectively at multiple granularities with improved hierarchical generalization.
☆ ConTextTab: A Semantics-Aware Tabular In-Context Learner
Tabular in-context learning (ICL) has recently achieved state-of-the-art (SOTA) performance on several tabular prediction tasks. Previously restricted to classification problems on small tables, recent advances such as TabPFN and TabICL have extended its use to larger datasets. While being architecturally efficient and well-adapted to tabular data structures, current table-native ICL architectures, being trained exclusively on synthetic data, do not fully leverage the rich semantics and world knowledge contained in real-world tabular data. On another end of this spectrum, tabular ICL models based on pretrained large language models such as TabuLa-8B integrate deep semantic understanding and world knowledge but are only able to make use of a small amount of context due to inherent architectural limitations. With the aim to combine the best of both these worlds, we introduce ConTextTab, integrating semantic understanding and alignment into a table-native ICL framework. By employing specialized embeddings for different data modalities and by training on large-scale real-world tabular data, our model is competitive with SOTA across a broad set of benchmarks while setting a new standard on the semantically rich CARTE benchmark.
☆ Preserving Task-Relevant Information Under Linear Concept Removal
Modern neural networks often encode unwanted concepts alongside task-relevant information, leading to fairness and interpretability concerns. Existing post-hoc approaches can remove undesired concepts but often degrade useful signals. We introduce SPLICE-Simultaneous Projection for LInear concept removal and Covariance prEservation-which eliminates sensitive concepts from representations while exactly preserving their covariance with a target label. SPLICE achieves this via an oblique projection that "splices out" the unwanted direction yet protects important label correlations. Theoretically, it is the unique solution that removes linear concept predictability and maintains target covariance with minimal embedding distortion. Empirically, SPLICE outperforms baselines on benchmarks such as Bias in Bios and Winobias, removing protected attributes while minimally damaging main-task information.
☆ SNR and Resource Adaptive Deep JSCC for Distributed IoT Image Classification
Sensor-based local inference at IoT devices faces severe computational limitations, often requiring data transmission over noisy wireless channels for server-side processing. To address this, split-network Deep Neural Network (DNN) based Joint Source-Channel Coding (JSCC) schemes are used to extract and transmit relevant features instead of raw data. However, most existing methods rely on fixed network splits and static configurations, lacking adaptability to varying computational budgets and channel conditions. In this paper, we propose a novel SNR- and computation-adaptive distributed CNN framework for wireless image classification across IoT devices and edge servers. We introduce a learning-assisted intelligent Genetic Algorithm (LAIGA) that efficiently explores the CNN hyperparameter space to optimize network configuration under given FLOPs constraints and given SNR. LAIGA intelligently discards the infeasible network configurations that exceed computational budget at IoT device. It also benefits from the Random Forests based learning assistance to avoid a thorough exploration of hyperparameter space and to induce application specific bias in candidate optimal configurations. Experimental results demonstrate that the proposed framework outperforms fixed-split architectures and existing SNR-adaptive methods, especially under low SNR and limited computational resources. We achieve a 10\% increase in classification accuracy as compared to existing JSCC based SNR-adaptive multilayer framework at an SNR as low as -10dB across a range of available computational budget (1M to 70M FLOPs) at IoT device.
comment: 6 pages, 5 figures, PIMRC Conference 2025
Large Language Models for Detection of Life-Threatening Texts
Detecting life-threatening language is essential for safeguarding individuals in distress, promoting mental health and well-being, and preventing potential harm and loss of life. This paper presents an effective approach to identifying life-threatening texts using large language models (LLMs) and compares them with traditional methods such as bag of words, word embedding, topic modeling, and Bidirectional Encoder Representations from Transformers. We fine-tune three open-source LLMs including Gemma, Mistral, and Llama-2 using their 7B parameter variants on different datasets, which are constructed with class balance, imbalance, and extreme imbalance scenarios. Experimental results demonstrate a strong performance of LLMs against traditional methods. More specifically, Mistral and Llama-2 models are top performers in both balanced and imbalanced data scenarios while Gemma is slightly behind. We employ the upsampling technique to deal with the imbalanced data scenarios and demonstrate that while this method benefits traditional approaches, it does not have as much impact on LLMs. This study demonstrates a great potential of LLMs for real-world life-threatening language detection problems.
☆ Saturation Self-Organizing Map
Continual learning poses a fundamental challenge for neural systems, which often suffer from catastrophic forgetting when exposed to sequential tasks. Self-Organizing Maps (SOMs), despite their interpretability and efficiency, are not immune to this issue. In this paper, we introduce Saturation Self-Organizing Maps (SatSOM)-an extension of SOMs designed to improve knowledge retention in continual learning scenarios. SatSOM incorporates a novel saturation mechanism that gradually reduces the learning rate and neighborhood radius of neurons as they accumulate information. This effectively freezes well-trained neurons and redirects learning to underutilized areas of the map.
comment: github repository: https://github.com/Radinyn/satsom
☆ Practical Improvements of A/B Testing with Off-Policy Estimation
We address the problem of A/B testing, a widely used protocol for evaluating the potential improvement achieved by a new decision system compared to a baseline. This protocol segments the population into two subgroups, each exposed to a version of the system and estimates the improvement as the difference between the measured effects. In this work, we demonstrate that the commonly used difference-in-means estimator, while unbiased, can be improved. We introduce a family of unbiased off-policy estimators that achieves lower variance than the standard approach. Among this family, we identify the estimator with the lowest variance. The resulting estimator is simple, and offers substantial variance reduction when the two tested systems exhibit similarities. Our theoretical analysis and experimental results validate the effectiveness and practicality of the proposed method.
☆ Logarithmic Smoothing for Adaptive PAC-Bayesian Off-Policy Learning
Off-policy learning serves as the primary framework for learning optimal policies from logged interactions collected under a static behavior policy. In this work, we investigate the more practical and flexible setting of adaptive off-policy learning, where policies are iteratively refined and re-deployed to collect higher-quality data. Building on the success of PAC-Bayesian learning with Logarithmic Smoothing (LS) in static settings, we extend this framework to the adaptive scenario using tools from online PAC-Bayesian theory. Furthermore, we demonstrate that a principled adjustment to the LS estimator naturally accommodates multiple rounds of deployment and yields faster convergence rates under mild conditions. Our method matches the performance of leading offline approaches in static settings, and significantly outperforms them when intermediate policy deployments are allowed. Empirical evaluations across diverse scenarios highlight both the advantages of adaptive data collection and the strength of the PAC-Bayesian formulation.
☆ Pushing the Limits of Extreme Weather: Constructing Extreme Heatwave Storylines with Differentiable Climate Models
Understanding the plausible upper bounds of extreme weather events is essential for risk assessment in a warming climate. Existing methods, based on large ensembles of physics-based models, are often computationally expensive or lack the fidelity needed to simulate rare, high-impact extremes. Here, we present a novel framework that leverages a differentiable hybrid climate model, NeuralGCM, to optimize initial conditions and generate physically consistent worst-case heatwave trajectories. Applied to the 2021 Pacific Northwest heatwave, our method produces temperature anomalies up to 3.7 $^\circ$C above the most extreme member of a 75-member ensemble. These trajectories feature intensified atmospheric blocking and amplified Rossby wave patterns--hallmarks of severe heat events. Our results demonstrate that differentiable climate models can efficiently explore the upper tails of event likelihoods, providing a powerful new approach for constructing targeted storylines of extreme weather under climate change.
☆ Robust Unsupervised Adaptation of a Speech Recogniser Using Entropy Minimisation and Speaker Codes
Speech recognisers usually perform optimally only in a specific environment and need to be adapted to work well in another. For adaptation to a new speaker, there is often too little data for fine-tuning to be robust, and that data is usually unlabelled. This paper proposes a combination of approaches to make adaptation to a single minute of data robust. First, instead of estimating the adaptation parameters with cross-entropy on a single error-prone hypothesis or "pseudo-label", this paper proposes a novel loss function, the conditional entropy over complete hypotheses. Using multiple hypotheses makes adaptation more robust to errors in the initial recognition. Second, a "speaker code" characterises a speaker in a vector short enough that it requires little data to estimate. On a far-field noise-augmented version of Common Voice, the proposed scheme yields a 20% relative improvement in word error rate on one minute of adaptation data, increasing on 10 minutes to 29%.
☆ Data Shifts Hurt CoT: A Theoretical Study
Chain of Thought (CoT) has been applied to various large language models (LLMs) and proven to be effective in improving the quality of outputs. In recent studies, transformers are proven to have absolute upper bounds in terms of expressive power, and consequently, they cannot solve many computationally difficult problems. However, empowered by CoT, transformers are proven to be able to solve some difficult problems effectively, such as the $k$-parity problem. Nevertheless, those works rely on two imperative assumptions: (1) identical training and testing distribution, and (2) corruption-free training data with correct reasoning steps. However, in the real world, these assumptions do not always hold. Although the risks of data shifts have caught attention, our work is the first to rigorously study the exact harm caused by such shifts to the best of our knowledge. Focusing on the $k$-parity problem, in this work we investigate the joint impact of two types of data shifts: the distribution shifts and data poisoning, on the quality of trained models obtained by a well-established CoT decomposition. In addition to revealing a surprising phenomenon that CoT leads to worse performance on learning parity than directly generating the prediction, our technical results also give a rigorous and comprehensive explanation of the mechanistic reasons of such impact.
☆ Structure and asymptotic preserving deep neural surrogates for uncertainty quantification in multiscale kinetic equations
The high dimensionality of kinetic equations with stochastic parameters poses major computational challenges for uncertainty quantification (UQ). Traditional Monte Carlo (MC) sampling methods, while widely used, suffer from slow convergence and high variance, which become increasingly severe as the dimensionality of the parameter space grows. To accelerate MC sampling, we adopt a multiscale control variates strategy that leverages low-fidelity solutions from simplified kinetic models to reduce variance. To further improve sampling efficiency and preserve the underlying physics, we introduce surrogate models based on structure and asymptotic preserving neural networks (SAPNNs). These deep neural networks are specifically designed to satisfy key physical properties, including positivity, conservation laws, entropy dissipation, and asymptotic limits. By training the SAPNNs on low-fidelity models and enriching them with selected high-fidelity samples from the full Boltzmann equation, our method achieves significant variance reduction while maintaining physical consistency and asymptotic accuracy. The proposed methodology enables efficient large-scale prediction in kinetic UQ and is validated across both homogeneous and nonhomogeneous multiscale regimes. Numerical results demonstrate improved accuracy and computational efficiency compared to standard MC techniques.
☆ Hessian Geometry of Latent Space in Generative Models ICML 2025
This paper presents a novel method for analyzing the latent space geometry of generative models, including statistical physics models and diffusion models, by reconstructing the Fisher information metric. The method approximates the posterior distribution of latent variables given generated samples and uses this to learn the log-partition function, which defines the Fisher metric for exponential families. Theoretical convergence guarantees are provided, and the method is validated on the Ising and TASEP models, outperforming existing baselines in reconstructing thermodynamic quantities. Applied to diffusion models, the method reveals a fractal structure of phase transitions in the latent space, characterized by abrupt changes in the Fisher metric. We demonstrate that while geodesic interpolations are approximately linear within individual phases, this linearity breaks down at phase boundaries, where the diffusion model exhibits a divergent Lipschitz constant with respect to the latent space. These findings provide new insights into the complex structure of diffusion model latent spaces and their connection to phenomena like phase transitions. Our source code is available at https://github.com/alobashev/hessian-geometry-of-diffusion-models.
comment: ICML 2025
☆ Time Series Forecasting as Reasoning: A Slow-Thinking Approach with Reinforced LLMs
To advance time series forecasting (TSF), various methods have been proposed to improve prediction accuracy, evolving from statistical techniques to data-driven deep learning architectures. Despite their effectiveness, most existing methods still adhere to a fast thinking paradigm-relying on extracting historical patterns and mapping them to future values as their core modeling philosophy, lacking an explicit thinking process that incorporates intermediate time series reasoning. Meanwhile, emerging slow-thinking LLMs (e.g., OpenAI-o1) have shown remarkable multi-step reasoning capabilities, offering an alternative way to overcome these issues. However, prompt engineering alone presents several limitations - including high computational cost, privacy risks, and limited capacity for in-depth domain-specific time series reasoning. To address these limitations, a more promising approach is to train LLMs to develop slow thinking capabilities and acquire strong time series reasoning skills. For this purpose, we propose Time-R1, a two-stage reinforcement fine-tuning framework designed to enhance multi-step reasoning ability of LLMs for time series forecasting. Specifically, the first stage conducts supervised fine-tuning for warmup adaptation, while the second stage employs reinforcement learning to improve the model's generalization ability. Particularly, we design a fine-grained multi-objective reward specifically for time series forecasting, and then introduce GRIP (group-based relative importance for policy optimization), which leverages non-uniform sampling to further encourage and optimize the model's exploration of effective reasoning paths. Experiments demonstrate that Time-R1 significantly improves forecast performance across diverse datasets.
☆ Task Adaptation from Skills: Information Geometry, Disentanglement, and New Objectives for Unsupervised Reinforcement Learning ICLR 2024
Unsupervised reinforcement learning (URL) aims to learn general skills for unseen downstream tasks. Mutual Information Skill Learning (MISL) addresses URL by maximizing the mutual information between states and skills but lacks sufficient theoretical analysis, e.g., how well its learned skills can initialize a downstream task's policy. Our new theoretical analysis in this paper shows that the diversity and separability of learned skills are fundamentally critical to downstream task adaptation but MISL does not necessarily guarantee these properties. To complement MISL, we propose a novel disentanglement metric LSEPIN. Moreover, we build an information-geometric connection between LSEPIN and downstream task adaptation cost. For better geometric properties, we investigate a new strategy that replaces the KL divergence in information geometry with Wasserstein distance. We extend the geometric analysis to it, which leads to a novel skill-learning objective WSEP. It is theoretically justified to be helpful to downstream task adaptation and it is capable of discovering more initial policies for downstream tasks than MISL. We finally propose another Wasserstein distance-based algorithm PWSEP that can theoretically discover all optimal initial policies.
comment: Spotlight paper at ICLR 2024. This version includes acknowledgments omitted from the ICLR version and indicates the corresponding authors primarily responsible for the work
☆ Leveraging Low-rank Factorizations of Conditional Correlation Matrices in Graph Learning
This paper addresses the problem of learning an undirected graph from data gathered at each nodes. Within the graph signal processing framework, the topology of such graph can be linked to the support of the conditional correlation matrix of the data. The corresponding graph learning problem then scales to the squares of the number of variables (nodes), which is usually problematic at large dimension. To tackle this issue, we propose a graph learning framework that leverages a low-rank factorization of the conditional correlation matrix. In order to solve for the resulting optimization problems, we derive tools required to apply Riemannian optimization techniques for this particular structure. The proposal is then particularized to a low-rank constrained counterpart of the GLasso algorithm, i.e., the penalized maximum likelihood estimation of a Gaussian graphical model. Experiments on synthetic and real data evidence that a very efficient dimension-versus-performance trade-off can be achieved with this approach.
comment: 11 pages, 5 figures
☆ SDialog: A Python Toolkit for Synthetic Dialogue Generation and Analysis
The advancement of conversational AI systems relies on the availability of high-quality, flexible, and reproducible synthetic dialogues for training, evaluation, and benchmarking. SDialog is a modular, extensible Python toolkit designed to address the challenges of synthetic dialogue generation and analysis. By leveraging instruction-tuned Large Language Models (LLMs), SDialog provides abstractions for personas, orchestration, and scenario management, enabling the creation of realistic, diverse, and controllable conversational data for research and development. SDialog supports workflows such as multi-agent simulation and scenario-driven generation, and represents a step forward in the standardization of tools and frameworks for synthetic data generation, a crucial advancement for ensuring reproducibility in today's fast-evolving research landscape.
comment: https://github.com/idiap/sdialog
☆ Assessing the Resilience of Automotive Intrusion Detection Systems to Adversarial Manipulation
The security of modern vehicles has become increasingly important, with the controller area network (CAN) bus serving as a critical communication backbone for various Electronic Control Units (ECUs). The absence of robust security measures in CAN, coupled with the increasing connectivity of vehicles, makes them susceptible to cyberattacks. While intrusion detection systems (IDSs) have been developed to counter such threats, they are not foolproof. Adversarial attacks, particularly evasion attacks, can manipulate inputs to bypass detection by IDSs. This paper extends our previous work by investigating the feasibility and impact of gradient-based adversarial attacks performed with different degrees of knowledge against automotive IDSs. We consider three scenarios: white-box (attacker with full system knowledge), grey-box (partial system knowledge), and the more realistic black-box (no knowledge of the IDS' internal workings or data). We evaluate the effectiveness of the proposed attacks against state-of-the-art IDSs on two publicly available datasets. Additionally, we study effect of the adversarial perturbation on the attack impact and evaluate real-time feasibility by precomputing evasive payloads for timed injection based on bus traffic. Our results demonstrate that, besides attacks being challenging due to the automotive domain constraints, their effectiveness is strongly dependent on the dataset quality, the target IDS, and the attacker's degree of knowledge.
☆ Deep Learning-Based Digitization of Overlapping ECG Images with Open-Source Python Code
This paper addresses the persistent challenge of accurately digitizing paper-based electrocardiogram (ECG) recordings, with a particular focus on robustly handling single leads compromised by signal overlaps-a common yet under-addressed issue in existing methodologies. We propose a two-stage pipeline designed to overcome this limitation. The first stage employs a U-Net based segmentation network, trained on a dataset enriched with overlapping signals and fortified with custom data augmentations, to accurately isolate the primary ECG trace. The subsequent stage converts this refined binary mask into a time-series signal using established digitization techniques, enhanced by an adaptive grid detection module for improved versatility across different ECG formats and scales. Our experimental results demonstrate the efficacy of our approach. The U-Net architecture achieves an IoU of 0.87 for the fine-grained segmentation task. Crucially, our proposed digitization method yields superior performance compared to a well-established baseline technique across both non-overlapping and challenging overlapping ECG samples. For non-overlapping signals, our method achieved a Mean Squared Error (MSE) of 0.0010 and a Pearson Correlation Coefficient (rho) of 0.9644, compared to 0.0015 and 0.9366, respectively, for the baseline. On samples with signal overlap, our method achieved an MSE of 0.0029 and a rho of 0.9641, significantly improving upon the baseline's 0.0178 and 0.8676. This work demonstrates an effective strategy to significantly enhance digitization accuracy, especially in the presence of signal overlaps, thereby laying a strong foundation for the reliable conversion of analog ECG records into analyzable digital data for contemporary research and clinical applications. The implementation is publicly available at this GitHub repository: https://github.com/masoudrahimi39/ECG-code.
☆ Non-stationary Online Learning for Curved Losses: Improved Dynamic Regret via Mixability ICML 2025
Non-stationary online learning has drawn much attention in recent years. Despite considerable progress, dynamic regret minimization has primarily focused on convex functions, leaving the functions with stronger curvature (e.g., squared or logistic loss) underexplored. In this work, we address this gap by showing that the regret can be substantially improved by leveraging the concept of mixability, a property that generalizes exp-concavity to effectively capture loss curvature. Let $d$ denote the dimensionality and $P_T$ the path length of comparators that reflects the environmental non-stationarity. We demonstrate that an exponential-weight method with fixed-share updates achieves an $\mathcal{O}(d T^{1/3} P_T^{2/3} \log T)$ dynamic regret for mixable losses, improving upon the best-known $\mathcal{O}(d^{10/3} T^{1/3} P_T^{2/3} \log T)$ result (Baby and Wang, 2021) in $d$. More importantly, this improvement arises from a simple yet powerful analytical framework that exploits the mixability, which avoids the Karush-Kuhn-Tucker-based analysis required by existing work.
comment: ICML 2025
☆ Data Driven Diagnosis for Large Cyber-Physical-Systems with Minimal Prior Information
Diagnostic processes for complex cyber-physical systems often require extensive prior knowledge in the form of detailed system models or comprehensive training data. However, obtaining such information poses a significant challenge. To address this issue, we present a new diagnostic approach that operates with minimal prior knowledge, requiring only a basic understanding of subsystem relationships and data from nominal operations. Our method combines a neural network-based symptom generator, which employs subsystem-level anomaly detection, with a new graph diagnosis algorithm that leverages minimal causal relationship information between subsystems-information that is typically available in practice. Our experiments with fully controllable simulated datasets show that our method includes the true causal component in its diagnosis set for 82 p.c. of all cases while effectively reducing the search space in 73 p.c. of the scenarios. Additional tests on the real-world Secure Water Treatment dataset showcase the approach's potential for practical scenarios. Our results thus highlight our approach's potential for practical applications with large and complex cyber-physical systems where limited prior knowledge is available.
☆ Size-adaptive Hypothesis Testing for Fairness
Determining whether an algorithmic decision-making system discriminates against a specific demographic typically involves comparing a single point estimate of a fairness metric against a predefined threshold. This practice is statistically brittle: it ignores sampling error and treats small demographic subgroups the same as large ones. The problem intensifies in intersectional analyses, where multiple sensitive attributes are considered jointly, giving rise to a larger number of smaller groups. As these groups become more granular, the data representing them becomes too sparse for reliable estimation, and fairness metrics yield excessively wide confidence intervals, precluding meaningful conclusions about potential unfair treatments. In this paper, we introduce a unified, size-adaptive, hypothesis-testing framework that turns fairness assessment into an evidence-based statistical decision. Our contribution is twofold. (i) For sufficiently large subgroups, we prove a Central-Limit result for the statistical parity difference, leading to analytic confidence intervals and a Wald test whose type-I (false positive) error is guaranteed at level $\alpha$. (ii) For the long tail of small intersectional groups, we derive a fully Bayesian Dirichlet-multinomial estimator; Monte-Carlo credible intervals are calibrated for any sample size and naturally converge to Wald intervals as more data becomes available. We validate our approach empirically on benchmark datasets, demonstrating how our tests provide interpretable, statistically rigorous decisions under varying degrees of data availability and intersectionality.
Graph Neural Networks for Automatic Addition of Optimizing Components in Printed Circuit Board Schematics
The design and optimization of Printed Circuit Board (PCB) schematics is crucial for the development of high-quality electronic devices. Thereby, an important task is to optimize drafts by adding components that improve the robustness and reliability of the circuit, e.g., pull-up resistors or decoupling capacitors. Since there is a shortage of skilled engineers and manual optimizations are very time-consuming, these best practices are often neglected. However, this typically leads to higher costs for troubleshooting in later development stages as well as shortened product life cycles, resulting in an increased amount of electronic waste that is difficult to recycle. Here, we present an approach for automating the addition of new components into PCB schematics by representing them as bipartite graphs and utilizing a node pair prediction model based on Graph Neural Networks (GNNs). We apply our approach to three highly relevant PCB design optimization tasks and compare the performance of several popular GNN architectures on real-world datasets labeled by human experts. We show that GNNs can solve these problems with high accuracy and demonstrate that our approach offers the potential to automate PCB design optimizations in a time- and cost-efficient manner.
☆ Box-Constrained Softmax Function and Its Application for Post-Hoc Calibration
Controlling the output probabilities of softmax-based models is a common problem in modern machine learning. Although the $\mathrm{Softmax}$ function provides soft control via its temperature parameter, it lacks the ability to enforce hard constraints, such as box constraints, on output probabilities, which can be critical in certain applications requiring reliable and trustworthy models. In this work, we propose the box-constrained softmax ($\mathrm{BCSoftmax}$) function, a novel generalization of the $\mathrm{Softmax}$ function that explicitly enforces lower and upper bounds on output probabilities. While $\mathrm{BCSoftmax}$ is formulated as the solution to a box-constrained optimization problem, we develop an exact and efficient computation algorithm for $\mathrm{BCSoftmax}$. As a key application, we introduce two post-hoc calibration methods based on $\mathrm{BCSoftmax}$. The proposed methods mitigate underconfidence and overconfidence in predictive models by learning the lower and upper bounds of the output probabilities or logits after model training, thereby enhancing reliability in downstream decision-making tasks. We demonstrate the effectiveness of our methods experimentally using the TinyImageNet, CIFAR-100, and 20NewsGroups datasets, achieving improvements in calibration metrics.
☆ On the role of non-linear latent features in bipartite generative neural networks
We investigate the phase diagram and memory retrieval capabilities of bipartite energy-based neural networks, namely Restricted Boltzmann Machines (RBMs), as a function of the prior distribution imposed on their hidden units - including binary, multi-state, and ReLU-like activations. Drawing connections to the Hopfield model and employing analytical tools from statistical physics of disordered systems, we explore how the architectural choices and activation functions shape the thermodynamic properties of these models. Our analysis reveals that standard RBMs with binary hidden nodes and extensive connectivity suffer from reduced critical capacity, limiting their effectiveness as associative memories. To address this, we examine several modifications, such as introducing local biases and adopting richer hidden unit priors. These adjustments restore ordered retrieval phases and markedly improve recall performance, even at finite temperatures. Our theoretical findings, supported by finite-size Monte Carlo simulations, highlight the importance of hidden unit design in enhancing the expressive power of RBMs.
comment: 23 pages, 5 figures
☆ Data-driven Day Ahead Market Prices Forecasting: A Focus on Short Training Set Windows
This study investigates the performance of machine learning models in forecasting electricity Day-Ahead Market (DAM) prices using short historical training windows, with a focus on detecting seasonal trends and price spikes. We evaluate four models, namely LSTM with Feed Forward Error Correction (FFEC), XGBoost, LightGBM, and CatBoost, across three European energy markets (Greece, Belgium, Ireland) using feature sets derived from ENTSO-E forecast data. Training window lengths range from 7 to 90 days, allowing assessment of model adaptability under constrained data availability. Results indicate that LightGBM consistently achieves the highest forecasting accuracy and robustness, particularly with 45 and 60 day training windows, which balance temporal relevance and learning depth. Furthermore, LightGBM demonstrates superior detection of seasonal effects and peak price events compared to LSTM and other boosting models. These findings suggest that short-window training approaches, combined with boosting methods, can effectively support DAM forecasting in volatile, data-scarce environments.
comment: 13 pages, 10 figures
☆ Equivariant Neural Diffusion for Molecule Generation NeurIPS 2024
We introduce Equivariant Neural Diffusion (END), a novel diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Compared to current state-of-the-art equivariant diffusion models, the key innovation in END lies in its learnable forward process for enhanced generative modelling. Rather than pre-specified, the forward process is parameterized through a time- and data-dependent transformation that is equivariant to rigid transformations. Through a series of experiments on standard molecule generation benchmarks, we demonstrate the competitive performance of END compared to several strong baselines for both unconditional and conditional generation.
comment: 38th Conference on Neural Information Processing Systems (NeurIPS 2024)
☆ Macro Graph of Experts for Billion-Scale Multi-Task Recommendation
Graph-based multi-task learning at billion-scale presents a significant challenge, as different tasks correspond to distinct billion-scale graphs. Traditional multi-task learning methods often neglect these graph structures, relying solely on individual user and item embeddings. However, disregarding graph structures overlooks substantial potential for improving performance. In this paper, we introduce the Macro Graph of Expert (MGOE) framework, the first approach capable of leveraging macro graph embeddings to capture task-specific macro features while modeling the correlations between task-specific experts. Specifically, we propose the concept of a Macro Graph Bottom, which, for the first time, enables multi-task learning models to incorporate graph information effectively. We design the Macro Prediction Tower to dynamically integrate macro knowledge across tasks. MGOE has been deployed at scale, powering multi-task learning for the homepage of a leading billion-scale recommender system. Extensive offline experiments conducted on three public benchmark datasets demonstrate its superiority over state-of-the-art multi-task learning methods, establishing MGOE as a breakthrough in multi-task graph-based recommendation. Furthermore, online A/B tests confirm the superiority of MGOE in billion-scale recommender systems.
☆ A Crack in the Bark: Leveraging Public Knowledge to Remove Tree-Ring Watermarks
We present a novel attack specifically designed against Tree-Ring, a watermarking technique for diffusion models known for its high imperceptibility and robustness against removal attacks. Unlike previous removal attacks, which rely on strong assumptions about attacker capabilities, our attack only requires access to the variational autoencoder that was used to train the target diffusion model, a component that is often publicly available. By leveraging this variational autoencoder, the attacker can approximate the model's intermediate latent space, enabling more effective surrogate-based attacks. Our evaluation shows that this approach leads to a dramatic reduction in the AUC of Tree-Ring detector's ROC and PR curves, decreasing from 0.993 to 0.153 and from 0.994 to 0.385, respectively, while maintaining high image quality. Notably, our attacks outperform existing methods that assume full access to the diffusion model. These findings highlight the risk of reusing public autoencoders to train diffusion models -- a threat not considered by current industry practices. Furthermore, the results suggest that the Tree-Ring detector's precision, a metric that has been overlooked by previous evaluations, falls short of the requirements for real-world deployment.
comment: 18 pages, to be published in the 34th USENIX Security Symposium
☆ BugGen: A Self-Correcting Multi-Agent LLM Pipeline for Realistic RTL Bug Synthesis
Hardware complexity continues to strain verification resources, motivating the adoption of machine learning (ML) methods to improve debug efficiency. However, ML-assisted debugging critically depends on diverse and scalable bug datasets, which existing manual or automated bug insertion methods fail to reliably produce. We introduce BugGen, a first of its kind, fully autonomous, multi-agent pipeline leveraging Large Language Models (LLMs) to systematically generate, insert, and validate realistic functional bugs in RTL. BugGen partitions modules, selects mutation targets via a closed-loop agentic architecture, and employs iterative refinement and rollback mechanisms to ensure syntactic correctness and functional detectability. Evaluated across five OpenTitan IP blocks, BugGen produced 500 unique bugs with 94% functional accuracy and achieved a throughput of 17.7 validated bugs per hour-over five times faster than typical manual expert insertion. Additionally, BugGen identified 104 previously undetected bugs in OpenTitan regressions, highlighting its utility in exposing verification coverage gaps. Compared against Certitude, BugGen demonstrated over twice the syntactic accuracy, deeper exposure of testbench blind spots, and more functionally meaningful and complex bug scenarios. Furthermore, when these BugGen-generated datasets were employed to train ML-based failure triage models, we achieved high classification accuracy (88.1%-93.2%) across different IP blocks, confirming the practical utility and realism of generated bugs. BugGen thus provides a scalable solution for generating high-quality bug datasets, significantly enhancing verification efficiency and ML-assisted debugging.
☆ SHORE: A Long-term User Lifetime Value Prediction Model in Digital Games
In digital gaming, long-term user lifetime value (LTV) prediction is essential for monetization strategy, yet presents major challenges due to delayed payment behavior, sparse early user data, and the presence of high-value outliers. While existing models typically rely on either short-cycle observations or strong distributional assumptions, such approaches often underestimate long-term value or suffer from poor robustness. To address these issues, we propose SHort-cycle auxiliary with Order-preserving REgression (SHORE), a novel LTV prediction framework that integrates short-horizon predictions (e.g., LTV-15 and LTV-30) as auxiliary tasks to enhance long-cycle targets (e.g., LTV-60). SHORE also introduces a hybrid loss function combining order-preserving multi-class classification and a dynamic Huber loss to mitigate the influence of zero-inflation and outlier payment behavior. Extensive offline and online experiments on real-world datasets demonstrate that SHORE significantly outperforms existing baselines, achieving a 47.91\% relative reduction in prediction error in online deployment. These results highlight SHORE's practical effectiveness and robustness in industrial-scale LTV prediction for digital games.
comment: 7 pages
☆ Prediction of steady states in a marine ecosystem model by a machine learning technique
We used precomputed steady states obtained by a spin-up for a global marine ecosystem model as training data to build a mapping from the small number of biogeochemical model parameters onto the three-dimensional converged steady annual cycle. The mapping was performed by a conditional variational autoencoder (CVAE) with mass correction. Applied for test data, we show that the prediction obtained by the CVAE already gives a reasonable good approximation of the steady states obtained by a regular spin-up. However, the predictions do not reach the same level of annual periodicity as those obtained in the original spin-up data. Thus, we took the predictions as initial values for a spin-up. We could show that the number of necessary iterations, corresponding to model years, to reach a prescribed stopping criterion in the spin-up could be significantly reduced compared to the use of the originally uniform, constant initial value. The amount of reduction depends on the applied stopping criterion, measuring the periodicity of the solution. The savings in needed iterations and, thus, computing time for the spin-up ranges from 50 to 95\%, depending on the stopping criterion for the spin-up. We compared these results with the use of the mean of the training data as an initial value. We found that this also accelerates the spin-up, but only by a much lower factor.
☆ Towards Robust Multimodal Emotion Recognition under Missing Modalities and Distribution Shifts
Recent advancements in Multimodal Emotion Recognition (MER) face challenges in addressing both modality missing and Out-Of-Distribution (OOD) data simultaneously. Existing methods often rely on specific models or introduce excessive parameters, which limits their practicality. To address these issues, we propose a novel robust MER framework, Causal Inference Distiller (CIDer), and introduce a new task, Random Modality Feature Missing (RMFM), to generalize the definition of modality missing. CIDer integrates two key components: a Model-Specific Self-Distillation (MSSD) module and a Model-Agnostic Causal Inference (MACI) module. MSSD enhances robustness under the RMFM task through a weight-sharing self-distillation approach applied across low-level features, attention maps, and high-level representations. Additionally, a Word-level Self-aligned Attention Module (WSAM) reduces computational complexity, while a Multimodal Composite Transformer (MCT) facilitates efficient multimodal fusion. To tackle OOD challenges, MACI employs a tailored causal graph to mitigate label and language biases using a Multimodal Causal Module (MCM) and fine-grained counterfactual texts. Notably, MACI can independently enhance OOD generalization with minimal additional parameters. Furthermore, we also introduce the new repartitioned MER OOD datasets. Experimental results demonstrate that CIDer achieves robust performance in both RMFM and OOD scenarios, with fewer parameters and faster training compared to state-of-the-art methods. The implementation of this work is publicly accessible at https://github.com/gw-zhong/CIDer.
comment: Submitted to TAC. The code is available at https://github.com/gw-zhong/CIDer
☆ MNN-LLM: A Generic Inference Engine for Fast Large Language Model Deployment on Mobile Devices
Large language models (LLMs) have demonstrated exceptional performance across a variety of tasks. However, their substantial scale leads to significant computational resource consumption during inference, resulting in high costs. Consequently, edge device inference presents a promising solution. The primary challenges of edge inference include memory usage and inference speed. This paper introduces MNN-LLM, a framework specifically designed to accelerate the deployment of large language models on mobile devices. MNN-LLM addresses the runtime characteristics of LLMs through model quantization and DRAM-Flash hybrid storage, effectively reducing memory usage. It rearranges weights and inputs based on mobile CPU instruction sets and GPU characteristics while employing strategies such as multicore load balancing, mixed-precision floating-point operations, and geometric computations to enhance performance. Notably, MNN-LLM achieves up to a 8.6x speed increase compared to current mainstream LLM-specific frameworks.
comment: 7 pages, 5 figures. Published in the Proceedings of the 6th ACM International Conference on Multimedia in Asia Workshops (MMAsia '24 Workshops). The final authenticated version is available at https://dl.acm.org/doi/10.1145/3700410.3702126
☆ System Identification Using Kolmogorov-Arnold Networks: A Case Study on Buck Converters
Kolmogorov-Arnold Networks (KANs) are emerging as a powerful framework for interpretable and efficient system identification in dynamic systems. By leveraging the Kolmogorov-Arnold representation theorem, KANs enable function approximation through learnable activation functions, offering improved scalability, accuracy, and interpretability compared to traditional neural networks. This paper investigates the application of KANs to model and analyze the dynamics of a buck converter system, focusing on state-space parameter estimation along with discovering the system equations. Using simulation data, the methodology involves approximating state derivatives with KANs, constructing interpretable state-space representations, and validating these models through numerical experiments. The results demonstrate the ability of KANs to accurately identify system dynamics, verify model consistency, and detect parameter changes, providing valuable insights into their applicability for system identification in modern industrial systems.
comment: 2025 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works
☆ Measuring Semantic Information Production in Generative Diffusion Models ICLR
It is well known that semantic and structural features of the generated images emerge at different times during the reverse dynamics of diffusion, a phenomenon that has been connected to physical phase transitions in magnets and other materials. In this paper, we introduce a general information-theoretic approach to measure when these class-semantic "decisions" are made during the generative process. By using an online formula for the optimal Bayesian classifier, we estimate the conditional entropy of the class label given the noisy state. We then determine the time intervals corresponding to the highest information transfer between noisy states and class labels using the time derivative of the conditional entropy. We demonstrate our method on one-dimensional Gaussian mixture models and on DDPM models trained on the CIFAR10 dataset. As expected, we find that the semantic information transfer is highest in the intermediate stages of diffusion while vanishing during the final stages. However, we found sizable differences between the entropy rate profiles of different classes, suggesting that different "semantic decisions" are located at different intermediate times.
comment: 4 pages, 3 figures, an appendix with derivations and implementation details, accepted at ICLR DeLTa 2025
☆ Multi-dimensional Autoscaling of Processing Services: A Comparison of Agent-based Methods
Edge computing breaks with traditional autoscaling due to strict resource constraints, thus, motivating more flexible scaling behaviors using multiple elasticity dimensions. This work introduces an agent-based autoscaling framework that dynamically adjusts both hardware resources and internal service configurations to maximize requirements fulfillment in constrained environments. We compare four types of scaling agents: Active Inference, Deep Q Network, Analysis of Structural Knowledge, and Deep Active Inference, using two real-world processing services running in parallel: YOLOv8 for visual recognition and OpenCV for QR code detection. Results show all agents achieve acceptable SLO performance with varying convergence patterns. While the Deep Q Network benefits from pre-training, the structural analysis converges quickly, and the deep active inference agent combines theoretical foundations with practical scalability advantages. Our findings provide evidence for the viability of multi-dimensional agent-based autoscaling for edge environments and encourage future work in this research direction.
☆ Data-Driven Soil Organic Carbon Sampling: Integrating Spectral Clustering with Conditioned Latin Hypercube Optimization
Soil organic carbon (SOC) monitoring often relies on selecting representative field sampling locations based on environmental covariates. We propose a novel hybrid methodology that integrates spectral clustering - an unsupervised machine learning technique with conditioned Latin hypercube sampling (cLHS) to enhance the representativeness of SOC sampling. In our approach, spectral clustering partitions the study area into $K$ homogeneous zones using multivariate covariate data, and cLHS is then applied within each zone to select sampling locations that collectively capture the full diversity of environmental conditions. This hybrid spectral-cLHS method ensures that even minor but important environmental clusters are sampled, addressing a key limitation of vanilla cLHS which can overlook such areas. We demonstrate on a real SOC mapping dataset that spectral-cLHS provides more uniform coverage of covariate feature space and spatial heterogeneity than standard cLHS. This improved sampling design has the potential to yield more accurate SOC predictions by providing better-balanced training data for machine learning models.
☆ Time-IMM: A Dataset and Benchmark for Irregular Multimodal Multivariate Time Series
Time series data in real-world applications such as healthcare, climate modeling, and finance are often irregular, multimodal, and messy, with varying sampling rates, asynchronous modalities, and pervasive missingness. However, existing benchmarks typically assume clean, regularly sampled, unimodal data, creating a significant gap between research and real-world deployment. We introduce Time-IMM, a dataset specifically designed to capture cause-driven irregularity in multimodal multivariate time series. Time-IMM represents nine distinct types of time series irregularity, categorized into trigger-based, constraint-based, and artifact-based mechanisms. Complementing the dataset, we introduce IMM-TSF, a benchmark library for forecasting on irregular multimodal time series, enabling asynchronous integration and realistic evaluation. IMM-TSF includes specialized fusion modules, including a timestamp-to-text fusion module and a multimodality fusion module, which support both recency-aware averaging and attention-based integration strategies. Empirical results demonstrate that explicitly modeling multimodality on irregular time series data leads to substantial gains in forecasting performance. Time-IMM and IMM-TSF provide a foundation for advancing time series analysis under real-world conditions. The dataset is publicly available at https://www.kaggle.com/datasets/blacksnail789521/time-imm/data, and the benchmark library can be accessed at https://anonymous.4open.science/r/IMMTSF_NeurIPS2025.
comment: This paper is currently under review
☆ PAG: Multi-Turn Reinforced LLM Self-Correction with Policy as Generative Verifier
Large Language Models (LLMs) have demonstrated impressive capabilities in complex reasoning tasks, yet they still struggle to reliably verify the correctness of their own outputs. Existing solutions to this verification challenge often depend on separate verifier models or require multi-stage self-correction training pipelines, which limit scalability. In this paper, we propose Policy as Generative Verifier (PAG), a simple and effective framework that empowers LLMs to self-correct by alternating between policy and verifier roles within a unified multi-turn reinforcement learning (RL) paradigm. Distinct from prior approaches that always generate a second attempt regardless of model confidence, PAG introduces a selective revision mechanism: the model revises its answer only when its own generative verification step detects an error. This verify-then-revise workflow not only alleviates model collapse but also jointly enhances both reasoning and verification abilities. Extensive experiments across diverse reasoning benchmarks highlight PAG's dual advancements: as a policy, it enhances direct generation and self-correction accuracy; as a verifier, its self-verification outperforms self-consistency.
☆ Generative Algorithms for Wildfire Progression Reconstruction from Multi-Modal Satellite Active Fire Measurements and Terrain Height
Increasing wildfire occurrence has spurred growing interest in wildfire spread prediction. However, even the most complex wildfire models diverge from observed progression during multi-day simulations, motivating need for data assimilation. A useful approach to assimilating measurement data into complex coupled atmosphere-wildfire models is to estimate wildfire progression from measurements and use this progression to develop a matching atmospheric state. In this study, an approach is developed for estimating fire progression from VIIRS active fire measurements, GOES-derived ignition times, and terrain height data. A conditional Generative Adversarial Network is trained with simulations of historic wildfires from the atmosphere-wildfire model WRF-SFIRE, thus allowing incorporation of WRF-SFIRE physics into estimates. Fire progression is succinctly represented by fire arrival time, and measurements for training are obtained by applying an approximate observation operator to WRF-SFIRE solutions, eliminating need for satellite data during training. The model is trained on tuples of fire arrival times, measurements, and terrain, and once trained leverages measurements of real fires and corresponding terrain data to generate samples of fire arrival times. The approach is validated on five Pacific US wildfires, with results compared against high-resolution perimeters measured via aircraft, finding an average Sorensen-Dice coefficient of 0.81. The influence of terrain height on the arrival time inference is also evaluated and it is observed that terrain has minimal influence when the inference is conditioned on satellite measurements.
☆ Time To Impeach LLM-as-a-Judge: Programs are the Future of Evaluation
Large language models (LLMs) are widely used to evaluate the quality of LLM generations and responses, but this leads to significant challenges: high API costs, uncertain reliability, inflexible pipelines, and inherent biases. To address these, we introduce PAJAMA (Program-As-a-Judge for Automated Model Assessment), a new alternative that uses LLMs to synthesize executable judging programs instead of directly scoring responses. These synthesized programs can be stored and run locally, costing orders of magnitude less while providing interpretable, and auditable judging logic that can be easily adapted. Program-based judges mitigate biases, improving judgment consistency by 15.83% and reducing biased responses by 23.7% on average compared to a Qwen2.5-14B-based LLM-as-a-judge. When program judgments are distilled into a model, PAJAMA outperforms LLM-as-a-judge on the challenging CHAT-HARD subset of RewardBench, outperforming metrics by 2.19% on Prometheus and 8.67% on the JudgeLM dataset, all at three orders of magnitude lower cost.
☆ EQA-RM: A Generative Embodied Reward Model with Test-time Scaling
Reward Models (RMs), vital for large model alignment, are underexplored for complex embodied tasks like Embodied Question Answering (EQA) where nuanced evaluation of agents' spatial, temporal, and logical understanding is critical yet not considered by generic approaches. We introduce EQA-RM, a novel generative multimodal reward model specifically architected for EQA, trained via our innovative Contrastive Group Relative Policy Optimization (C-GRPO) strategy to learn fine-grained behavioral distinctions. The generative nature of EQA-RM provides interpretable, structured reward feedback (beyond simple scalars), uniquely enabling test-time scaling to dynamically adjust evaluation granularity, from concise scores to detailed critiques of reasoning and grounding, at inference without retraining. Concurrently, we introduce EQARewardBench, a new benchmark built on OpenEQA for standardized EQA reward model assessment. Demonstrating high sample efficiency, EQA-RM (fine-tuning Qwen2-VL-2B-Instruct) achieves 61.9\% accuracy on EQA-RM-Bench with only 700 samples, outperforming strong proprietary baselines, including Gemini-2.5-Flash, GPT-4o, Claude-3.5-Haiku, and open-sourced state-of-the-art models such as RoVRM and VisualPRM. The code and dataset can be found here https://github.com/UNITES-Lab/EQA-RM.
comment: preprint
☆ Discovering Hierarchical Latent Capabilities of Language Models via Causal Representation Learning
Faithful evaluation of language model capabilities is crucial for deriving actionable insights that can inform model development. However, rigorous causal evaluations in this domain face significant methodological challenges, including complex confounding effects and prohibitive computational costs associated with extensive retraining. To tackle these challenges, we propose a causal representation learning framework wherein observed benchmark performance is modeled as a linear transformation of a few latent capability factors. Crucially, these latent factors are identified as causally interrelated after appropriately controlling for the base model as a common confounder. Applying this approach to a comprehensive dataset encompassing over 1500 models evaluated across six benchmarks from the Open LLM Leaderboard, we identify a concise three-node linear causal structure that reliably explains the observed performance variations. Further interpretation of this causal structure provides substantial scientific insights beyond simple numerical rankings: specifically, we reveal a clear causal direction starting from general problem-solving capabilities, advancing through instruction-following proficiency, and culminating in mathematical reasoning ability. Our results underscore the essential role of carefully controlling base model variations during evaluation, a step critical to accurately uncovering the underlying causal relationships among latent model capabilities.
☆ Revisiting Transformers with Insights from Image Filtering
The self-attention mechanism, a cornerstone of Transformer-based state-of-the-art deep learning architectures, is largely heuristic-driven and fundamentally challenging to interpret. Establishing a robust theoretical foundation to explain its remarkable success and limitations has therefore become an increasingly prominent focus in recent research. Some notable directions have explored understanding self-attention through the lens of image denoising and nonparametric regression. While promising, existing frameworks still lack a deeper mechanistic interpretation of various architectural components that enhance self-attention, both in its original formulation and subsequent variants. In this work, we aim to advance this understanding by developing a unifying image processing framework, capable of explaining not only the self-attention computation itself but also the role of components such as positional encoding and residual connections, including numerous later variants. We also pinpoint potential distinctions between the two concepts building upon our framework, and make effort to close this gap. We introduce two independent architectural modifications within transformers. While our primary objective is interpretability, we empirically observe that image processing-inspired modifications can also lead to notably improved accuracy and robustness against data contamination and adversaries across language and vision tasks as well as better long sequence understanding.
comment: 12 pages, 6 figures
☆ Can We Infer Confidential Properties of Training Data from LLMs?
Large language models (LLMs) are increasingly fine-tuned on domain-specific datasets to support applications in fields such as healthcare, finance, and law. These fine-tuning datasets often have sensitive and confidential dataset-level properties -- such as patient demographics or disease prevalence -- that are not intended to be revealed. While prior work has studied property inference attacks on discriminative models (e.g., image classification models) and generative models (e.g., GANs for image data), it remains unclear if such attacks transfer to LLMs. In this work, we introduce PropInfer, a benchmark task for evaluating property inference in LLMs under two fine-tuning paradigms: question-answering and chat-completion. Built on the ChatDoctor dataset, our benchmark includes a range of property types and task configurations. We further propose two tailored attacks: a prompt-based generation attack and a shadow-model attack leveraging word frequency signals. Empirical evaluations across multiple pretrained LLMs show the success of our attacks, revealing a previously unrecognized vulnerability in LLMs.
☆ Demonstrating Multi-Suction Item Picking at Scale via Multi-Modal Learning of Pick Success
This work demonstrates how autonomously learning aspects of robotic operation from sparsely-labeled, real-world data of deployed, engineered solutions at industrial scale can provide with solutions that achieve improved performance. Specifically, it focuses on multi-suction robot picking and performs a comprehensive study on the application of multi-modal visual encoders for predicting the success of candidate robotic picks. Picking diverse items from unstructured piles is an important and challenging task for robot manipulation in real-world settings, such as warehouses. Methods for picking from clutter must work for an open set of items while simultaneously meeting latency constraints to achieve high throughput. The demonstrated approach utilizes multiple input modalities, such as RGB, depth and semantic segmentation, to estimate the quality of candidate multi-suction picks. The strategy is trained from real-world item picking data, with a combination of multimodal pretrain and finetune. The manuscript provides comprehensive experimental evaluation performed over a large item-picking dataset, an item-picking dataset targeted to include partial occlusions, and a package-picking dataset, which focuses on containers, such as boxes and envelopes, instead of unpackaged items. The evaluation measures performance for different item configurations, pick scenes, and object types. Ablations help to understand the effects of in-domain pretraining, the impact of different modalities and the importance of finetuning. These ablations reveal both the importance of training over multiple modalities but also the ability of models to learn during pretraining the relationship between modalities so that during finetuning and inference, only a subset of them can be used as input.
comment: Accepted to Robotics: Science and Systems (RSS 2025), 15 pages
☆ TreeLoRA: Efficient Continual Learning via Layer-Wise LoRAs Guided by a Hierarchical Gradient-Similarity Tree ICML 2025
Many real-world applications collect data in a streaming environment, where learning tasks are encountered sequentially. This necessitates continual learning (CL) to update models online, enabling adaptation to new tasks while preserving past knowledge to prevent catastrophic forgetting. Nowadays, with the flourish of large pre-trained models (LPMs), efficiency has become increasingly critical for CL, due to their substantial computational demands and growing parameter sizes. In this paper, we introduce TreeLoRA (K-D Tree of Low-Rank Adapters), a novel approach that constructs layer-wise adapters by leveraging hierarchical gradient similarity to enable efficient CL, particularly for LPMs. To reduce the computational burden of task similarity estimation, we employ bandit techniques to develop an algorithm based on lower confidence bounds to efficiently explore the task structure. Furthermore, we use sparse gradient updates to facilitate parameter optimization, making the approach better suited for LPMs. Theoretical analysis is provided to justify the rationale behind our approach, and experiments on both vision transformers (ViTs) and large language models (LLMs) demonstrate the effectiveness and efficiency of our approach across various domains, including vision and natural language processing tasks.
comment: ICML 2025
☆ History-Aware Neural Operator: Robust Data-Driven Constitutive Modeling of Path-Dependent Materials
This study presents an end-to-end learning framework for data-driven modeling of path-dependent inelastic materials using neural operators. The framework is built on the premise that irreversible evolution of material responses, governed by hidden dynamics, can be inferred from observable data. We develop the History-Aware Neural Operator (HANO), an autoregressive model that predicts path-dependent material responses from short segments of recent strain-stress history without relying on hidden state variables, thereby overcoming self-consistency issues commonly encountered in recurrent neural network (RNN)-based models. Built on a Fourier-based neural operator backbone, HANO enables discretization-invariant learning. To enhance its ability to capture both global loading patterns and critical local path dependencies, we embed a hierarchical self-attention mechanism that facilitates multiscale feature extraction. Beyond ensuring self-consistency, HANO mitigates sensitivity to initial hidden states, a commonly overlooked issue that can lead to instability in recurrent models when applied to generalized loading paths. By modeling stress-strain evolution as a continuous operator rather than relying on fixed input-output mappings, HANO naturally accommodates varying path discretizations and exhibits robust performance under complex conditions, including irregular sampling, multi-cycle loading, noisy data, and pre-stressed states. We evaluate HANO on two benchmark problems: elastoplasticity with hardening and progressive anisotropic damage in brittle solids. Results show that HANO consistently outperforms baseline models in predictive accuracy, generalization, and robustness. With its demonstrated capabilities, HANO provides an effective data-driven surrogate for simulating inelastic materials and is well-suited for integration with classical numerical solvers.
☆ PhysioWave: A Multi-Scale Wavelet-Transformer for Physiological Signal Representation NeurIPS 2025
Physiological signals are often corrupted by motion artifacts, baseline drift, and other low-SNR disturbances, which pose significant challenges for analysis. Additionally, these signals exhibit strong non-stationarity, with sharp peaks and abrupt changes that evolve continuously, making them difficult to represent using traditional time-domain or filtering methods. To address these issues, a novel wavelet-based approach for physiological signal analysis is presented, aiming to capture multi-scale time-frequency features in various physiological signals. Leveraging this technique, two large-scale pretrained models specific to EMG and ECG are introduced for the first time, achieving superior performance and setting new baselines in downstream tasks. Additionally, a unified multi-modal framework is constructed by integrating pretrained EEG model, where each modality is guided through its dedicated branch and fused via learnable weighted fusion. This design effectively addresses challenges such as low signal-to-noise ratio, high inter-subject variability, and device mismatch, outperforming existing methods on multi-modal tasks. The proposed wavelet-based architecture lays a solid foundation for analysis of diverse physiological signals, while the multi-modal design points to next-generation physiological signal processing with potential impact on wearable health monitoring, clinical diagnostics, and broader biomedical applications.
comment: 22 pages, 8 figures, 9 tables. Submitted to NeurIPS 2025
☆ LightKG: Efficient Knowledge-Aware Recommendations with Simplified GNN Architecture KDD
Recently, Graph Neural Networks (GNNs) have become the dominant approach for Knowledge Graph-aware Recommender Systems (KGRSs) due to their proven effectiveness. Building upon GNN-based KGRSs, Self-Supervised Learning (SSL) has been incorporated to address the sparity issue, leading to longer training time. However, through extensive experiments, we reveal that: (1)compared to other KGRSs, the existing GNN-based KGRSs fail to keep their superior performance under sparse interactions even with SSL. (2) More complex models tend to perform worse in sparse interaction scenarios and complex mechanisms, like attention mechanism, can be detrimental as they often increase learning difficulty. Inspired by these findings, we propose LightKG, a simple yet powerful GNN-based KGRS to address sparsity issues. LightKG includes a simplified GNN layer that encodes directed relations as scalar pairs rather than dense embeddings and employs a linear aggregation framework, greatly reducing the complexity of GNNs. Additionally, LightKG incorporates an efficient contrastive layer to implement SSL. It directly minimizes the node similarity in original graph, avoiding the time-consuming subgraph generation and comparison required in previous SSL methods. Experiments on four benchmark datasets show that LightKG outperforms 12 competitive KGRSs in both sparse and dense scenarios while significantly reducing training time. Specifically, it surpasses the best baselines by an average of 5.8\% in recommendation accuracy and saves 84.3\% of training time compared to KGRSs with SSL. Our code is available at https://github.com/1371149/LightKG.
comment: Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining
☆ Technical Report with Proofs for A Full Picture in Conformance Checking: Efficiently Summarizing All Optimal Alignments
This technical report provides proofs for the claims in the paper "A Full Picture in Conformance Checking: Efficiently Summarizing All Optimal Alignments".
☆ Provably Learning from Language Feedback
Interactively learning from observation and language feedback is an increasingly studied area driven by the emergence of large language model (LLM) agents. While impressive empirical demonstrations have been shown, so far a principled framing of these decision problems remains lacking. In this paper, we formalize the Learning from Language Feedback (LLF) problem, assert sufficient assumptions to enable learning despite latent rewards, and introduce $\textit{transfer eluder dimension}$ as a complexity measure to characterize the hardness of LLF problems. We show that transfer eluder dimension captures the intuition that information in the feedback changes the learning complexity of the LLF problem. We demonstrate cases where learning from rich language feedback can be exponentially faster than learning from reward. We develop a no-regret algorithm, called $\texttt{HELiX}$, that provably solves LLF problems through sequential interactions, with performance guarantees that scale with the transfer eluder dimension of the problem. Across several empirical domains, we show that $\texttt{HELiX}$ performs well even when repeatedly prompting LLMs does not work reliably. Our contributions mark a first step towards designing principled interactive learning algorithms from generic language feedback.
☆ Air in Your Neighborhood: Fine-Grained AQI Forecasting Using Mobile Sensor Data
Air pollution has become a significant health risk in developing countries. While governments routinely publish air-quality index (AQI) data to track pollution, these values fail to capture the local reality, as sensors are often very sparse. In this paper, we address this gap by predicting AQI in 1 km^2 neighborhoods, using the example of AirDelhi dataset. Using Spatio-temporal GNNs we surpass existing works by 71.654 MSE a 79% reduction, even on unseen coordinates. New insights about AQI such as the existence of strong repetitive short-term patterns and changing spatial relations are also discovered. The code is available on GitHub.
comment: 10 pages, 7 figures. Code available at https://github.com/ASChampOmega/AQI_Forecasting.git
☆ Towards Scalable SOAP Note Generation: A Weakly Supervised Multimodal Framework CVPR
Skin carcinoma is the most prevalent form of cancer globally, accounting for over $8 billion in annual healthcare expenditures. In clinical settings, physicians document patient visits using detailed SOAP (Subjective, Objective, Assessment, and Plan) notes. However, manually generating these notes is labor-intensive and contributes to clinician burnout. In this work, we propose a weakly supervised multimodal framework to generate clinically structured SOAP notes from limited inputs, including lesion images and sparse clinical text. Our approach reduces reliance on manual annotations, enabling scalable, clinically grounded documentation while alleviating clinician burden and reducing the need for large annotated data. Our method achieves performance comparable to GPT-4o, Claude, and DeepSeek Janus Pro across key clinical relevance metrics. To evaluate clinical quality, we introduce two novel metrics MedConceptEval and Clinical Coherence Score (CCS) which assess semantic alignment with expert medical concepts and input features, respectively.
comment: Accepted at IEEE/CVF Computer Society Conference on Computer Vision and Pattern Recognition Workshops (CVPRW)
☆ A Benchmark for Generalizing Across Diverse Team Strategies in Competitive Pokémon NeurIPS 2025
Developing AI agents that can robustly adapt to dramatically different strategic landscapes without retraining is a central challenge for multi-agent learning. Pok\'emon Video Game Championships (VGC) is a domain with an extraordinarily large space of possible team configurations of approximately $10^{139}$ - far larger than those of Dota or Starcraft. The highly discrete, combinatorial nature of team building in Pok\'emon VGC causes optimal strategies to shift dramatically depending on both the team being piloted and the opponent's team, making generalization uniquely challenging. To advance research on this problem, we introduce VGC-Bench: a benchmark that provides critical infrastructure, standardizes evaluation protocols, and supplies human-play datasets and a range of baselines - from large-language-model agents and behavior cloning to reinforcement learning and empirical game-theoretic methods such as self-play, fictitious play, and double oracle. In the restricted setting where an agent is trained and evaluated on a single-team configuration, our methods are able to win against a professional VGC competitor. We extensively evaluated all baseline methods over progressively larger team sets and find that even the best-performing algorithm in the single-team setting struggles at scaling up as team size grows. Thus, policy generalization across diverse team strategies remains an open challenge for the community. Our code is open sourced at https://github.com/cameronangliss/VGC-Bench.
comment: 15 pages, 3 figures, 10 tables, submitted to NeurIPS 2025 Datasets & Benchmarks Track
☆ SWDL: Stratum-Wise Difference Learning with Deep Laplacian Pyramid for Semi-Supervised 3D Intracranial Hemorrhage Segmentation
Recent advances in medical imaging have established deep learning-based segmentation as the predominant approach, though it typically requires large amounts of manually annotated data. However, obtaining annotations for intracranial hemorrhage (ICH) remains particularly challenging due to the tedious and costly labeling process. Semi-supervised learning (SSL) has emerged as a promising solution to address the scarcity of labeled data, especially in volumetric medical image segmentation. Unlike conventional SSL methods that primarily focus on high-confidence pseudo-labels or consistency regularization, we propose SWDL-Net, a novel SSL framework that exploits the complementary advantages of Laplacian pyramid and deep convolutional upsampling. The Laplacian pyramid excels at edge sharpening, while deep convolutions enhance detail precision through flexible feature mapping. Our framework achieves superior segmentation of lesion details and boundaries through a difference learning mechanism that effectively integrates these complementary approaches. Extensive experiments on a 271-case ICH dataset and public benchmarks demonstrate that SWDL-Net outperforms current state-of-the-art methods in scenarios with only 2% labeled data. Additional evaluations on the publicly available Brain Hemorrhage Segmentation Dataset (BHSD) with 5% labeled data further confirm the superiority of our approach. Code and data have been released at https://github.com/SIAT-CT-LAB/SWDL.
comment: 11 pages, 4 figures, 6 Tables
☆ PyLO: Towards Accessible Learned Optimizers in PyTorch ICML
Learned optimizers have been an active research topic over the past decade, with increasing progress toward practical, general-purpose optimizers that can serve as drop-in replacements for widely used methods like Adam. However, recent advances -- such as VeLO, which was meta-trained for 4000 TPU-months -- remain largely inaccessible to the broader community, in part due to their reliance on JAX and the absence of user-friendly packages for applying the optimizers after meta-training. To address this gap, we introduce PyLO, a PyTorch-based library that brings learned optimizers to the broader machine learning community through familiar, widely adopted workflows. Unlike prior work focused on synthetic or convex tasks, our emphasis is on applying learned optimization to real-world large-scale pre-training tasks. Our release includes a CUDA-accelerated version of the small_fc_lopt learned optimizer architecture from (Metz et al., 2022a), delivering substantial speedups -- from 39.36 to 205.59 samples/sec throughput for training ViT B/16 with batch size 32. PyLO also allows us to easily combine learned optimizers with existing optimization tools such as learning rate schedules and weight decay. When doing so, we find that learned optimizers can substantially benefit. Our code is available at https://github.com/Belilovsky-Lab/pylo
comment: Accepted at ICML CODEML Workshop 2025
☆ Detecting Sockpuppetry on Wikipedia Using Meta-Learning ACL 2025
Malicious sockpuppet detection on Wikipedia is critical to preserving access to reliable information on the internet and preventing the spread of disinformation. Prior machine learning approaches rely on stylistic and meta-data features, but do not prioritise adaptability to author-specific behaviours. As a result, they struggle to effectively model the behaviour of specific sockpuppet-groups, especially when text data is limited. To address this, we propose the application of meta-learning, a machine learning technique designed to improve performance in data-scarce settings by training models across multiple tasks. Meta-learning optimises a model for rapid adaptation to the writing style of a new sockpuppet-group. Our results show that meta-learning significantly enhances the precision of predictions compared to pre-trained models, marking an advancement in combating sockpuppetry on open editing platforms. We release a new dataset of sockpuppet investigations to foster future research in both sockpuppetry and meta-learning fields.
comment: Accepted to ACL 2025
☆ Collaborative Min-Max Regret in Grouped Multi-Armed Bandits
We study the impact of sharing exploration in multi-armed bandits in a grouped setting where a set of groups have overlapping feasible action sets [Baek and Farias '24]. In this grouped bandit setting, groups share reward observations, and the objective is to minimize the collaborative regret, defined as the maximum regret across groups. This naturally captures applications in which one aims to balance the exploration burden between groups or populations -- it is known that standard algorithms can lead to significantly imbalanced exploration cost between groups. We address this problem by introducing an algorithm Col-UCB that dynamically coordinates exploration across groups. We show that Col-UCB achieves both optimal minimax and instance-dependent collaborative regret up to logarithmic factors. These bounds are adaptive to the structure of shared action sets between groups, providing insights into when collaboration yields significant benefits over each group learning their best action independently.
☆ Self-learning signal classifier for decameter coherent scatter radars
The paper presents a method for automatic constructing a classifier for processed data obtained by decameter coherent scatter radars. Method is based only on the radar data obtained, the results of automatic modeling of radio wave propagation in the ionosphere, and mathematical criteria for estimating the quality of the models. The final classifier is the model trained at data obtained by 12 radars of the SuperDARN and SECIRA networks over two years for each radar. The number of the model coefficients is 2669. For the classification, the model uses both the calculated parameters of radio wave propagation in the model ionosphere and the parameters directly measured by the radar. Calibration of radiowave elevation measurements at each radar was made using meteor trail scattered signals. The analysis showed that the optimal number of classes in the data is 37, of which 25 are frequently observed. The analysis made it possible to choose 14 classes from them, which are confidently separated in other variants of model training. A preliminary interpretation of 10 of them was carried out. The dynamics of observation of various classes and their dependence on the geographical latitude of radars at different levels of solar and geomagnetic activity were presented, it was shown that it does not contradict with known physical mechanisms. The analysis showed that the most important parameters to identify the classes are the shape of the signal ray-tracing trajectory in its second half, the ray-traced scattering height and the Doppler velocity measured by the radar.
comment: 30 pages, 10 figures, 4 tables. To be submitted to Advances in Space Research
☆ The Alignment Trap: Complexity Barriers
We establish fundamental computational complexity barriers to verifying AI safety as system capabilities scale. Our main results show that for AI systems with expressiveness EXP$(m)$ above a critical threshold $\tau$, safety verification requires exponential time and is coNP-complete. We formalize the Capability-Risk Scaling (CRS) dynamic, which demonstrates how increasing AI capability drives societal safety requirements toward perfection, creating an inescapable tension with verification complexity. Through four core theorems, we prove that (1) verification complexity grows exponentially with system expressiveness, (2) safe policies comprise at most a $2^{-2^m}$ fraction of the policy space, (3) no finite set of alignment techniques can provide universal coverage, and (4) robust safety properties form measure-zero sets for neural networks. These results characterize an "intractability gap" where practical safety requirements fall within the region of computational intractability. We conclude by presenting a strategic trilemma: AI development must either constrain system complexity to maintain verifiable safety, accept unverifiable risks while scaling capabilities, or develop fundamentally new safety paradigms beyond verification. Our work provides the first systematic complexity-theoretic analysis of AI alignment and establishes rigorous bounds that any safety approach must confront. A formal verification of the core theorems in Lean4 is currently in progress.
comment: 29 Pages, 4 Figures
☆ Distributionally-Constrained Adversaries in Online Learning
There has been much recent interest in understanding the continuum from adversarial to stochastic settings in online learning, with various frameworks including smoothed settings proposed to bridge this gap. We consider the more general and flexible framework of distributionally constrained adversaries in which instances are drawn from distributions chosen by an adversary within some constrained distribution class [RST11]. Compared to smoothed analysis, we consider general distributional classes which allows for a fine-grained understanding of learning settings between fully stochastic and fully adversarial for which a learner can achieve non-trivial regret. We give a characterization for which distribution classes are learnable in this context against both oblivious and adaptive adversaries, providing insights into the types of interplay between the function class and distributional constraints on adversaries that enable learnability. In particular, our results recover and generalize learnability for known smoothed settings. Further, we show that for several natural function classes including linear classifiers, learning can be achieved without any prior knowledge of the distribution class -- in other words, a learner can simultaneously compete against any constrained adversary within learnable distribution classes.
☆ ClusterUCB: Efficient Gradient-Based Data Selection for Targeted Fine-Tuning of LLMs
Gradient-based data influence approximation has been leveraged to select useful data samples in the supervised fine-tuning of large language models. However, the computation of gradients throughout the fine-tuning process requires too many resources to be feasible in practice. In this paper, we propose an efficient gradient-based data selection framework with clustering and a modified Upper Confidence Bound (UCB) algorithm. Based on the intuition that data samples with similar gradient features will have similar influences, we first perform clustering on the training data pool. Then, we frame the inter-cluster data selection as a constrained computing budget allocation problem and consider it a multi-armed bandit problem. A modified UCB algorithm is leveraged to solve this problem. Specifically, during the iterative sampling process, historical data influence information is recorded to directly estimate the distributions of each cluster, and a cold start is adopted to balance exploration and exploitation. Experimental results on various benchmarks show that our proposed framework, ClusterUCB, can achieve comparable results to the original gradient-based data selection methods while greatly reducing computing consumption.
☆ Graph-MLLM: Harnessing Multimodal Large Language Models for Multimodal Graph Learning
Multimodal Large Language Models (MLLMs) have demonstrated remarkable capabilities in representing and understanding diverse modalities. However, they typically focus on modality alignment in a pairwise manner while overlooking structural relationships across data points. Integrating multimodality with structured graph information (i.e., multimodal graphs, MMGs) is essential for real-world applications such as social networks, healthcare, and recommendation systems. Existing MMG learning methods fall into three paradigms based on how they leverage MLLMs: Encoder, Aligner, and Predictor. MLLM-as-Encoder focuses on enhancing graph neural networks (GNNs) via multimodal feature fusion; MLLM-as-Aligner aligns multimodal attributes in language or hidden space to enable LLM-based graph reasoning; MLLM-as-Predictor treats MLLMs as standalone reasoners with in-context learning or fine-tuning. Despite their advances, the MMG field lacks a unified benchmark to fairly evaluate across these approaches, making it unclear what progress has been made. To bridge this gap, we present Graph-MLLM, a comprehensive benchmark for multimodal graph learning by systematically evaluating these three paradigms across six datasets with different domains. Through extensive experiments, we observe that jointly considering the visual and textual attributes of the nodes benefits graph learning, even when using pre-trained text-to-image alignment models (e.g., CLIP) as encoders. We also find that converting visual attributes into textual descriptions further improves performance compared to directly using visual inputs. Moreover, we observe that fine-tuning MLLMs on specific MMGs can achieve state-of-the-art results in most scenarios, even without explicit graph structure information. We hope that our open-sourced library will facilitate rapid, equitable evaluation and inspire further innovative research in this field.
comment: 16 pages, 4 figures
☆ VQC-MLPNet: An Unconventional Hybrid Quantum-Classical Architecture for Scalable and Robust Quantum Machine Learning
Variational Quantum Circuits (VQCs) offer a novel pathway for quantum machine learning, yet their practical application is hindered by inherent limitations such as constrained linear expressivity, optimization challenges, and acute sensitivity to quantum hardware noise. This work introduces VQC-MLPNet, a scalable and robust hybrid quantum-classical architecture designed to overcome these obstacles. By innovatively employing quantum circuits to dynamically generate parameters for classical Multi-Layer Perceptrons (MLPs) via amplitude encoding and parameterized quantum operations, VQC-MLPNet substantially expands representation capabilities and augments training stability. We provide rigorous theoretical guarantees via statistical learning techniques and Neural Tangent Kernel analysis, explicitly deriving upper bounds on approximation, uniform deviation, and optimization errors. These theoretical insights demonstrate exponential improvements in representation capacity relative to quantum circuit depth and the number of qubits, providing clear computational advantages over standalone quantum circuits and existing hybrid quantum architectures. Our theoretical claims are empirically corroborated through extensive experiments, including classifying semiconductor quantum-dot charge states and predicting genomic transcription factor binding sites, demonstrating resilient performance even under realistic IBM quantum noise simulations. This research establishes a theoretically sound and practically robust framework, advancing the frontiers of quantum-enhanced learning for unconventional computing paradigms in the Noisy Intermediate-Scale Quantum era and beyond.
comment: 31 pages, 11 figures, under review
☆ Predicting function of evolutionarily implausible DNA sequences ICML 2025
Genomic language models (gLMs) show potential for generating novel, functional DNA sequences for synthetic biology, but doing so requires them to learn not just evolutionary plausibility, but also sequence-to-function relationships. We introduce a set of prediction tasks called Nullsettes, which assesses a model's ability to predict loss-of-function mutations created by translocating key control elements in synthetic expression cassettes. Across 12 state-of-the-art models, we find that mutation effect prediction performance strongly correlates with the predicted likelihood of the nonmutant. Furthermore, the range of likelihood values predictive of strong model performance is highly dependent on sequence length. Our work highlights the importance of considering both sequence likelihood and sequence length when using gLMs for mutation effect prediction.
comment: 13 pages, 6 figures, accepted to ICML 2025 Generative AI and Biology Workshop
☆ Interior-Point Vanishing Problem in Semidefinite Relaxations for Neural Network Verification ICML 2025
Semidefinite programming (SDP) relaxation has emerged as a promising approach for neural network verification, offering tighter bounds than other convex relaxation methods for deep neural networks (DNNs) with ReLU activations. However, we identify a critical limitation in the SDP relaxation when applied to deep networks: interior-point vanishing, which leads to the loss of strict feasibility -- a crucial condition for the numerical stability and optimality of SDP. Through rigorous theoretical and empirical analysis, we demonstrate that as the depth of DNNs increases, the strict feasibility is likely to be lost, creating a fundamental barrier to scaling SDP-based verification. To address the interior-point vanishing, we design and investigate five solutions to enhance the feasibility conditions of the verification problem. Our methods can successfully solve 88% of the problems that could not be solved by existing methods, accounting for 41% of the total. Our analysis also reveals that the valid constraints for the lower and upper bounds for each ReLU unit are traditionally inherited from prior work without solid reasons, but are actually not only unbeneficial but also even harmful to the problem's feasibility. This work provides valuable insights into the fundamental challenges of SDP-based DNN verification and offers practical solutions to improve its applicability to deeper neural networks, contributing to the development of more reliable and secure systems with DNNs.
comment: 17 pages, 2 figures. Version revised after ICML 2025 reviews
☆ Do Language Models Have Bayesian Brains? Distinguishing Stochastic and Deterministic Decision Patterns within Large Language Models
Language models are essentially probability distributions over token sequences. Auto-regressive models generate sentences by iteratively computing and sampling from the distribution of the next token. This iterative sampling introduces stochasticity, leading to the assumption that language models make probabilistic decisions, similar to sampling from unknown distributions. Building on this assumption, prior research has used simulated Gibbs sampling, inspired by experiments designed to elicit human priors, to infer the priors of language models. In this paper, we revisit a critical question: Do language models possess Bayesian brains? Our findings show that under certain conditions, language models can exhibit near-deterministic decision-making, such as producing maximum likelihood estimations, even with a non-zero sampling temperature. This challenges the sampling assumption and undermines previous methods for eliciting human-like priors. Furthermore, we demonstrate that without proper scrutiny, a system with deterministic behavior undergoing simulated Gibbs sampling can converge to a "false prior." To address this, we propose a straightforward approach to distinguish between stochastic and deterministic decision patterns in Gibbs sampling, helping to prevent the inference of misleading language model priors. We experiment on a variety of large language models to identify their decision patterns under various circumstances. Our results provide key insights in understanding decision making of large language models.
☆ Meta-learning Representations for Learning from Multiple Annotators
We propose a meta-learning method for learning from multiple noisy annotators. In many applications such as crowdsourcing services, labels for supervised learning are given by multiple annotators. Since the annotators have different skills or biases, given labels can be noisy. To learn accurate classifiers, existing methods require many noisy annotated data. However, sufficient data might be unavailable in practice. To overcome the lack of data, the proposed method uses labeled data obtained in different but related tasks. The proposed method embeds each example in tasks to a latent space by using a neural network and constructs a probabilistic model for learning a task-specific classifier while estimating annotators' abilities on the latent space. This neural network is meta-learned to improve the expected test classification performance when the classifier is adapted to a given small amount of annotated data. This classifier adaptation is performed by maximizing the posterior probability via the expectation-maximization (EM) algorithm. Since each step in the EM algorithm is easily computed as a closed-form and is differentiable, the proposed method can efficiently backpropagate the loss through the EM algorithm to meta-learn the neural network. We show the effectiveness of our method with real-world datasets with synthetic noise and real-world crowdsourcing datasets.
comment: 24 pages
☆ Generalization Bound of Gradient Flow through Training Trajectory and Data-dependent Kernel
Gradient-based optimization methods have shown remarkable empirical success, yet their theoretical generalization properties remain only partially understood. In this paper, we establish a generalization bound for gradient flow that aligns with the classical Rademacher complexity bounds for kernel methods-specifically those based on the RKHS norm and kernel trace-through a data-dependent kernel called the loss path kernel (LPK). Unlike static kernels such as NTK, the LPK captures the entire training trajectory, adapting to both data and optimization dynamics, leading to tighter and more informative generalization guarantees. Moreover, the bound highlights how the norm of the training loss gradients along the optimization trajectory influences the final generalization performance. The key technical ingredients in our proof combine stability analysis of gradient flow with uniform convergence via Rademacher complexity. Our bound recovers existing kernel regression bounds for overparameterized neural networks and shows the feature learning capability of neural networks compared to kernel methods. Numerical experiments on real-world datasets validate that our bounds correlate well with the true generalization gap.
☆ Improving Group Robustness on Spurious Correlation via Evidential Alignment KDD2025
Deep neural networks often learn and rely on spurious correlations, i.e., superficial associations between non-causal features and the targets. For instance, an image classifier may identify camels based on the desert backgrounds. While it can yield high overall accuracy during training, it degrades generalization on more diverse scenarios where such correlations do not hold. This problem poses significant challenges for out-of-distribution robustness and trustworthiness. Existing methods typically mitigate this issue by using external group annotations or auxiliary deterministic models to learn unbiased representations. However, such information is costly to obtain, and deterministic models may fail to capture the full spectrum of biases learned by the models. To address these limitations, we propose Evidential Alignment, a novel framework that leverages uncertainty quantification to understand the behavior of the biased models without requiring group annotations. By quantifying the evidence of model prediction with second-order risk minimization and calibrating the biased models with the proposed evidential calibration technique, Evidential Alignment identifies and suppresses spurious correlations while preserving core features. We theoretically justify the effectiveness of our method as capable of learning the patterns of biased models and debiasing the model without requiring any spurious correlation annotations. Empirical results demonstrate that our method significantly improves group robustness across diverse architectures and data modalities, providing a scalable and principled solution to spurious correlations.
comment: Accepted at KDD2025
☆ The Sample Complexity of Parameter-Free Stochastic Convex Optimization
We study the sample complexity of stochastic convex optimization when problem parameters, e.g., the distance to optimality, are unknown. We pursue two strategies. First, we develop a reliable model selection method that avoids overfitting the validation set. This method allows us to generically tune the learning rate of stochastic optimization methods to match the optimal known-parameter sample complexity up to $\log\log$ factors. Second, we develop a regularization-based method that is specialized to the case that only the distance to optimality is unknown. This method provides perfect adaptability to unknown distance to optimality, demonstrating a separation between the sample and computational complexity of parameter-free stochastic convex optimization. Combining these two methods allows us to simultaneously adapt to multiple problem structures. Experiments performing few-shot learning on CIFAR-10 by fine-tuning CLIP models and prompt engineering Gemini to count shapes indicate that our reliable model selection method can help mitigate overfitting to small validation sets.
☆ Polymorphism Crystal Structure Prediction with Adaptive Space Group Diversity Control
Crystalline materials can form different structural arrangements (i.e. polymorphs) with the same chemical composition, exhibiting distinct physical properties depending on how they were synthesized or the conditions under which they operate. For example, carbon can exist as graphite (soft, conductive) or diamond (hard, insulating). Computational methods that can predict these polymorphs are vital in materials science, which help understand stability relationships, guide synthesis efforts, and discover new materials with desired properties without extensive trial-and-error experimentation. However, effective crystal structure prediction (CSP) algorithms for inorganic polymorph structures remain limited. We propose ParetoCSP2, a multi-objective genetic algorithm for polymorphism CSP that incorporates an adaptive space group diversity control technique, preventing over-representation of any single space group in the population guided by a neural network interatomic potential. Using an improved population initialization method and performing iterative structure relaxation, ParetoCSP2 not only alleviates premature convergence but also achieves improved convergence speed. Our results show that ParetoCSP2 achieves excellent performance in polymorphism prediction, including a nearly perfect space group and structural similarity accuracy for formulas with two polymorphs but with the same number of unit cell atoms. Evaluated on a benchmark dataset, it outperforms baseline algorithms by factors of 2.46-8.62 for these accuracies and improves by 44.8\%-87.04\% across key performance metrics for regular CSP. Our source code is freely available at https://github.com/usccolumbia/ParetoCSP2.
☆ An Attention-based Spatio-Temporal Neural Operator for Evolving Physics
In scientific machine learning (SciML), a key challenge is learning unknown, evolving physical processes and making predictions across spatio-temporal scales. For example, in real-world manufacturing problems like additive manufacturing, users adjust known machine settings while unknown environmental parameters simultaneously fluctuate. To make reliable predictions, it is desired for a model to not only capture long-range spatio-temporal interactions from data but also adapt to new and unknown environments; traditional machine learning models excel at the first task but often lack physical interpretability and struggle to generalize under varying environmental conditions. To tackle these challenges, we propose the Attention-based Spatio-Temporal Neural Operator (ASNO), a novel architecture that combines separable attention mechanisms for spatial and temporal interactions and adapts to unseen physical parameters. Inspired by the backward differentiation formula (BDF), ASNO learns a transformer for temporal prediction and extrapolation and an attention-based neural operator for handling varying external loads, enhancing interpretability by isolating historical state contributions and external forces, enabling the discovery of underlying physical laws and generalizability to unseen physical environments. Empirical results on SciML benchmarks demonstrate that ASNO outperforms over existing models, establishing its potential for engineering applications, physics discovery, and interpretable machine learning.
☆ Efficient Traffic Classification using HW-NAS: Advanced Analysis and Optimization for Cybersecurity on Resource-Constrained Devices
This paper presents a hardware-efficient deep neural network (DNN), optimized through hardware-aware neural architecture search (HW-NAS); the DNN supports the classification of session-level encrypted traffic on resource-constrained Internet of Things (IoT) and edge devices. Thanks to HW-NAS, a 1D convolutional neural network (CNN) is tailored on the ISCX VPN-nonVPN dataset to meet strict memory and computational limits while achieving robust performance. The optimized model attains an accuracy of 96.59% with just 88.26K parameters, 10.08M FLOPs, and a maximum tensor size of 20.12K. Compared to state-of-the-art models, it achieves reductions of up to 444-fold, 312-fold, and 15.6-fold in these metrics, respectively, significantly minimizing memory footprint and runtime requirements. The model also demonstrates versatility in classification tasks, achieving accuracies of up to 99.64% in VPN differentiation, VPN-type classification, broader traffic categories, and application identification. In addition, an in-depth approach to header-level preprocessing strategies confirms that the optimized model can provide notable performances across a wide range of configurations, even in scenarios with stricter privacy considerations. Likewise, a reduction in the length of sessions of up to 75% yields significant improvements in efficiency, while maintaining high accuracy with only a negligible drop of 1-2%. However, the importance of careful preprocessing and session length selection in the classification of raw traffic data is still present, as improper settings or aggressive reductions can bring about a 7% reduction in overall accuracy. Those results highlight the method's effectiveness in enforcing cybersecurity for IoT networks, by providing scalable, efficient solutions for the real-time analysis of encrypted traffic within strict hardware limitations.
☆ Sampling Imbalanced Data with Multi-objective Bilevel Optimization
Two-class classification problems are often characterized by an imbalance between the number of majority and minority datapoints resulting in poor classification of the minority class in particular. Traditional approaches, such as reweighting the loss function or na\"ive resampling, risk overfitting and subsequently fail to improve classification because they do not consider the diversity between majority and minority datasets. Such consideration is infeasible because there is no metric that can measure the impact of imbalance on the model. To obviate these challenges, we make two key contributions. First, we introduce MOODS~(Multi-Objective Optimization for Data Sampling), a novel multi-objective bilevel optimization framework that guides both synthetic oversampling and majority undersampling. Second, we introduce a validation metric -- `$\epsilon/ \delta$ non-overlapping diversification metric' -- that quantifies the goodness of a sampling method towards model performance. With this metric we experimentally demonstrate state-of-the-art performance with improvement in diversity driving a $1-15 \%$ increase in $F1$ scores.
☆ SwiftSpec: Ultra-Low Latency LLM Decoding by Scaling Asynchronous Speculative Decoding
Low-latency decoding for large language models (LLMs) is crucial for applications like chatbots and code assistants, yet generating long outputs remains slow in single-query settings. Prior work on speculative decoding (which combines a small draft model with a larger target model) and tensor parallelism has each accelerated decoding. However, conventional approaches fail to apply both simultaneously due to imbalanced compute requirements (between draft and target models), KV-cache inconsistencies, and communication overheads under small-batch tensor-parallelism. This paper introduces SwiftSpec, a system that targets ultra-low latency for LLM decoding. SwiftSpec redesigns the speculative decoding pipeline in an asynchronous and disaggregated manner, so that each component can be scaled flexibly and remove draft overhead from the critical path. To realize this design, SwiftSpec proposes parallel tree generation, tree-aware KV cache management, and fused, latency-optimized kernels to overcome the challenges listed above. Across 5 model families and 6 datasets, SwiftSpec achieves an average of 1.75x speedup over state-of-the-art speculative decoding systems and, as a highlight, serves Llama3-70B at 348 tokens/s on 8 Nvidia Hopper GPUs, making it the fastest known system for low-latency LLM serving at this scale.
☆ Score-based Generative Diffusion Models to Synthesize Full-dose FDG Brain PET from MRI in Epilepsy Patients
Fluorodeoxyglucose (FDG) PET to evaluate patients with epilepsy is one of the most common applications for simultaneous PET/MRI, given the need to image both brain structure and metabolism, but is suboptimal due to the radiation dose in this young population. Little work has been done synthesizing diagnostic quality PET images from MRI data or MRI data with ultralow-dose PET using advanced generative AI methods, such as diffusion models, with attention to clinical evaluations tailored for the epilepsy population. Here we compared the performance of diffusion- and non-diffusion-based deep learning models for the MRI-to-PET image translation task for epilepsy imaging using simultaneous PET/MRI in 52 subjects (40 train/2 validate/10 hold-out test). We tested three different models: 2 score-based generative diffusion models (SGM-Karras Diffusion [SGM-KD] and SGM-variance preserving [SGM-VP]) and a Transformer-Unet. We report results on standard image processing metrics as well as clinically relevant metrics, including congruency measures (Congruence Index and Congruency Mean Absolute Error) that assess hemispheric metabolic asymmetry, which is a key part of the clinical analysis of these images. The SGM-KD produced the best qualitative and quantitative results when synthesizing PET purely from T1w and T2 FLAIR images with the least mean absolute error in whole-brain specific uptake value ratio (SUVR) and highest intraclass correlation coefficient. When 1% low-dose PET images are included in the inputs, all models improve significantly and are interchangeable for quantitative performance and visual quality. In summary, SGMs hold great potential for pure MRI-to-PET translation, while all 3 model types can synthesize full-dose FDG-PET accurately using MRI and ultralow-dose PET.
☆ A Tale of Two Systems: Characterizing Architectural Complexity on Machine Learning-Enabled Systems
How can the complexity of ML-enabled systems be managed effectively? The goal of this research is to investigate how complexity affects ML-Enabled Systems (MLES). To address this question, this research aims to introduce a metrics-based architectural model to characterize the complexity of MLES. The goal is to support architectural decisions, providing a guideline for the inception and growth of these systems. This paper brings, side-by-side, the architecture representation of two systems that can be used as case studies for creating the metrics-based architectural model: the SPIRA and the Ocean Guard MLES.
comment: 8 pages, 3 figures (3 diagrams), submitted to the ECSA2025. arXiv admin note: substantial text overlap with arXiv:2506.08153
☆ Shapley Machine: A Game-Theoretic Framework for N-Agent Ad Hoc Teamwork
Open multi-agent systems are increasingly important in modeling real-world applications, such as smart grids, swarm robotics, etc. In this paper, we aim to investigate a recently proposed problem for open multi-agent systems, referred to as n-agent ad hoc teamwork (NAHT), where only a number of agents are controlled. Existing methods tend to be based on heuristic design and consequently lack theoretical rigor and ambiguous credit assignment among agents. To address these limitations, we model and solve NAHT through the lens of cooperative game theory. More specifically, we first model an open multi-agent system, characterized by its value, as an instance situated in a space of cooperative games, generated by a set of basis games. We then extend this space, along with the state space, to accommodate dynamic scenarios, thereby characterizing NAHT. Exploiting the justifiable assumption that basis game values correspond to a sequence of n-step returns with different horizons, we represent the state values for NAHT in a form similar to $\lambda$-returns. Furthermore, we derive Shapley values to allocate state values to the controlled agents, as credits for their contributions to the ad hoc team. Different from the conventional approach to shaping Shapley values in an explicit form, we shape Shapley values by fulfilling the three axioms uniquely describing them, well defined on the extended game space describing NAHT. To estimate Shapley values in dynamic scenarios, we propose a TD($\lambda$)-like algorithm. The resulting reinforcement learning (RL) algorithm is referred to as Shapley Machine. To our best knowledge, this is the first time that the concepts from cooperative game theory are directly related to RL concepts. In experiments, we demonstrate the effectiveness of Shapley Machine and verify reasonableness of our theory.
comment: 25 pages
☆ Joint Denoising of Cryo-EM Projection Images using Polar Transformers
Deep neural networks~(DNNs) have proven powerful for denoising, but they are ultimately of limited use in high-noise settings, such as for cryogenic electron microscopy~(cryo-EM) projection images. In this setting, however, datasets contain a large number of projections of the same molecule, each taken from a different viewing direction. This redundancy of information is useful in traditional denoising techniques known as class averaging methods, where images are clustered, aligned, and then averaged to reduce the noise level. We present a neural network architecture based on transformers that extends these class averaging methods by simultaneously clustering, aligning, and denoising cryo-EM images. Results on synthetic data show accurate denoising performance using this architecture, reducing the relative mean squared error (MSE) single-image DNNs by $45\%$ at a signal-to-noise (SNR) of $0.03$.
☆ Domain-Constrained Diffusion Models to Synthesize Tabular Data: A Case Study in Power Systems
Growing concerns over privacy, security, and legal barriers are driving the rising demand for synthetic data across domains such as healthcare, finance, and energy. While generative models offer a promising solution to overcome these barriers, their utility depends on the incorporation of domain-specific knowledge. We propose to synthesize data using a guided diffusion model that integrates domain constraints directly into the generative process. We develop the model in the context of power systems, with potential applicability to other domains that involve tabular data. Specifically, we synthesize statistically representative and high-fidelity power flow datasets. To satisfy domain constraints, e.g., Kirchhoff laws, we introduce a gradient-based guidance to steer the sampling trajectory in a feasible direction. Numerical results demonstrate the effectiveness of our approach.
comment: 9 pages, 6 figures, conference
☆ Learning a Continue-Thinking Token for Enhanced Test-Time Scaling
Test-time scaling has emerged as an effective approach for improving language model performance by utilizing additional compute at inference time. Recent studies have shown that overriding end-of-thinking tokens (e.g., replacing "" with "Wait") can extend reasoning steps and improve accuracy. In this work, we explore whether a dedicated continue-thinking token can be learned to trigger extended reasoning. We augment a distilled version of DeepSeek-R1 with a single learned "<|continue-thinking|>" token, training only its embedding via reinforcement learning while keeping the model weights frozen. Our experiments show that this learned token achieves improved accuracy on standard math benchmarks compared to both the baseline model and a test-time scaling approach that uses a fixed token (e.g., "Wait") for budget forcing. In particular, we observe that in cases where the fixed-token approach enhances the base model's accuracy, our method achieves a markedly greater improvement. For example, on the GSM8K benchmark, the fixed-token approach yields a 1.3% absolute improvement in accuracy, whereas our learned-token method achieves a 4.2% improvement over the base model that does not use budget forcing.
☆ Collaborative Prediction: To Join or To Disjoin Datasets
With the recent rise of generative Artificial Intelligence (AI), the need of selecting high-quality dataset to improve machine learning models has garnered increasing attention. However, some part of this topic remains underexplored, even for simple prediction models. In this work, we study the problem of developing practical algorithms that select appropriate dataset to minimize population loss of our prediction model with high probability. Broadly speaking, we investigate when datasets from different sources can be effectively merged to enhance the predictive model's performance, and propose a practical algorithm with theoretical guarantees. By leveraging an oracle inequality and data-driven estimators, the algorithm reduces population loss with high probability. Numerical experiments demonstrate its effectiveness in both standard linear regression and broader machine learning applications. Code is available at https://github.com/kkrokii/collaborative_prediction.
comment: To be published in the 41st Conference on Uncertainty in Artificial Intelligence (UAI 2025)
☆ Demonstration Sidetracks: Categorizing Systematic Non-Optimality in Human Demonstrations
Learning from Demonstration (LfD) is a popular approach for robots to acquire new skills, but most LfD methods suffer from imperfections in human demonstrations. Prior work typically treats these suboptimalities as random noise. In this paper we study non-optimal behaviors in non-expert demonstrations and show that they are systematic, forming what we call demonstration sidetracks. Using a public space study with 40 participants performing a long-horizon robot task, we recreated the setup in simulation and annotated all demonstrations. We identify four types of sidetracks (Exploration, Mistake, Alignment, Pause) and one control pattern (one-dimension control). Sidetracks appear frequently across participants, and their temporal and spatial distribution is tied to task context. We also find that users' control patterns depend on the control interface. These insights point to the need for better models of suboptimal demonstrations to improve LfD algorithms and bridge the gap between lab training and real-world deployment. All demonstrations, infrastructure, and annotations are available at https://github.com/AABL-Lab/Human-Demonstration-Sidetracks.
☆ Lifting Data-Tracing Machine Unlearning to Knowledge-Tracing for Foundation Models
Machine unlearning removes certain training data points and their influence on AI models (e.g., when a data owner revokes their decision to allow models to learn from the data). In this position paper, we propose to lift data-tracing machine unlearning to knowledge-tracing for foundation models (FMs). We support this position based on practical needs and insights from cognitive studies. Practically, tracing data cannot meet the diverse unlearning requests for FMs, which may be from regulators, enterprise users, product teams, etc., having no access to FMs' massive training data. Instead, it is convenient for these parties to issue an unlearning request about the knowledge or capability FMs (should not) possess. Cognitively, knowledge-tracing unlearning aligns with how the human brain forgets more closely than tracing individual training data points. Finally, we provide a concrete case study about a vision-language FM to illustrate how an unlearner might instantiate the knowledge-tracing machine unlearning paradigm.
comment: 21 pages, 3 figures
☆ Measuring multi-calibration
A suitable scalar metric can help measure multi-calibration, defined as follows. When the expected values of observed responses are equal to corresponding predicted probabilities, the probabilistic predictions are known as "perfectly calibrated." When the predicted probabilities are perfectly calibrated simultaneously across several subpopulations, the probabilistic predictions are known as "perfectly multi-calibrated." In practice, predicted probabilities are seldom perfectly multi-calibrated, so a statistic measuring the distance from perfect multi-calibration is informative. A recently proposed metric for calibration, based on the classical Kuiper statistic, is a natural basis for a new metric of multi-calibration and avoids well-known problems of metrics based on binning or kernel density estimation. The newly proposed metric weights the contributions of different subpopulations in proportion to their signal-to-noise ratios; data analyses' ablations demonstrate that the metric becomes noisy when omitting the signal-to-noise ratios from the metric. Numerical examples on benchmark data sets illustrate the new metric.
comment: 25 pages, 12 tables
☆ Can Time-Series Foundation Models Perform Building Energy Management Tasks?
Building energy management (BEM) tasks require processing and learning from a variety of time-series data. Existing solutions rely on bespoke task- and data-specific models to perform these tasks, limiting their broader applicability. Inspired by the transformative success of Large Language Models (LLMs), Time-Series Foundation Models (TSFMs), trained on diverse datasets, have the potential to change this. Were TSFMs to achieve a level of generalizability across tasks and contexts akin to LLMs, they could fundamentally address the scalability challenges pervasive in BEM. To understand where they stand today, we evaluate TSFMs across four dimensions: (1) generalizability in zero-shot univariate forecasting, (2) forecasting with covariates for thermal behavior modeling, (3) zero-shot representation learning for classification tasks, and (4) robustness to performance metrics and varying operational conditions. Our results reveal that TSFMs exhibit \emph{limited} generalizability, performing only marginally better than statistical models on unseen datasets and modalities for univariate forecasting. Similarly, inclusion of covariates in TSFMs does not yield performance improvements, and their performance remains inferior to conventional models that utilize covariates. While TSFMs generate effective zero-shot representations for downstream classification tasks, they may remain inferior to statistical models in forecasting when statistical models perform test-time fitting. Moreover, TSFMs forecasting performance is sensitive to evaluation metrics, and they struggle in more complex building environments compared to statistical models. These findings underscore the need for targeted advancements in TSFM design, particularly their handling of covariates and incorporating context and temporal dynamics into prediction mechanisms, to develop more adaptable and scalable solutions for BEM.
comment: 30 pages, 5 tables, 8 figures. Under review for Data-Centric Engineering journal
☆ A Causal Lens for Learning Long-term Fair Policies
Fairness-aware learning studies the development of algorithms that avoid discriminatory decision outcomes despite biased training data. While most studies have concentrated on immediate bias in static contexts, this paper highlights the importance of investigating long-term fairness in dynamic decision-making systems while simultaneously considering instantaneous fairness requirements. In the context of reinforcement learning, we propose a general framework where long-term fairness is measured by the difference in the average expected qualification gain that individuals from different groups could obtain.Then, through a causal lens, we decompose this metric into three components that represent the direct impact, the delayed impact, as well as the spurious effect the policy has on the qualification gain. We analyze the intrinsic connection between these components and an emerging fairness notion called benefit fairness that aims to control the equity of outcomes in decision-making. Finally, we develop a simple yet effective approach for balancing various fairness notions.
comment: This is an extension to the paper which was accepted to the 13th International Conference on Learning Representations
☆ Enhanced Vehicle Speed Detection Considering Lane Recognition Using Drone Videos in California
The increase in vehicle numbers in California, driven by inadequate transportation systems and sparse speed cameras, necessitates effective vehicle speed detection. Detecting vehicle speeds per lane is critical for monitoring High-Occupancy Vehicle (HOV) lane speeds, distinguishing between cars and heavy vehicles with differing speed limits, and enforcing lane restrictions for heavy vehicles. While prior works utilized YOLO (You Only Look Once) for vehicle speed detection, they often lacked accuracy, failed to identify vehicle lanes, and offered limited or less practical classification categories. This study introduces a fine-tuned YOLOv11 model, trained on almost 800 bird's-eye view images, to enhance vehicle speed detection accuracy which is much higher compare to the previous works. The proposed system identifies the lane for each vehicle and classifies vehicles into two categories: cars and heavy vehicles. Designed to meet the specific requirements of traffic monitoring and regulation, the model also evaluates the effects of factors such as drone height, distance of Region of Interest (ROI), and vehicle speed on detection accuracy and speed measurement. Drone footage collected from Northern California was used to assess the proposed system. The fine-tuned YOLOv11 achieved its best performance with a mean absolute error (MAE) of 0.97 mph and mean squared error (MSE) of 0.94 $\text{mph}^2$, demonstrating its efficacy in addressing challenges in vehicle speed detection and classification.
comment: 7 pages
☆ uPVC-Net: A Universal Premature Ventricular Contraction Detection Deep Learning Algorithm
Introduction: Premature Ventricular Contractions (PVCs) are common cardiac arrhythmias originating from the ventricles. Accurate detection remains challenging due to variability in electrocardiogram (ECG) waveforms caused by differences in lead placement, recording conditions, and population demographics. Methods: We developed uPVC-Net, a universal deep learning model to detect PVCs from any single-lead ECG recordings. The model is developed on four independent ECG datasets comprising a total of 8.3 million beats collected from Holter monitors and a modern wearable ECG patch. uPVC-Net employs a custom architecture and a multi-source, multi-lead training strategy. For each experiment, one dataset is held out to evaluate out-of-distribution (OOD) generalization. Results: uPVC-Net achieved an AUC between 97.8% and 99.1% on the held-out datasets. Notably, performance on wearable single-lead ECG data reached an AUC of 99.1%. Conclusion: uPVC-Net exhibits strong generalization across diverse lead configurations and populations, highlighting its potential for robust, real-world clinical deployment.
comment: 8 pages
☆ Detection of obstructions in oil and gas pipelines: machine learning techniques for hydrate classification
Oil and gas reserves are vital resources for the global economy, serving as key components in transportation, energy production, and industrial processes. However, oil and gas extraction and production operations may encounter several challenges, such as pipeline and production line blockages, caused by factors including sediment accumulation, wax deposition, mineral scaling, and corrosion. This study addresses these challenges by employing supervised machine learning techniques, specifically decision trees, the k-Nearest Neighbors (k-NN) algorithm (k-NN), and the Naive Bayes classifier method, to detect and mitigate flow assurance challenges, ensuring efficient fluid transport. The primary focus is on preventing gas hydrate formation in oil production systems. To achieve this, data preprocessing and cleaning were conducted to ensure the quality and consistency of the dataset, which was sourced from Petrobras publicly available 3W project repository on GitHub. The scikit-learn Python library, a widely recognized open-source tool for supervised machine learning techniques, was utilized for classification tasks due to its robustness and versatility. The results demonstrate that the proposed methodology effectively classifies hydrate formation under operational conditions, with the decision tree algorithm exhibiting the highest predictive accuracy (99.99 percent). Consequently, this approach provides a reliable solution for optimizing production efficiency.
☆ Complexity of normalized stochastic first-order methods with momentum under heavy-tailed noise
In this paper, we propose practical normalized stochastic first-order methods with Polyak momentum, multi-extrapolated momentum, and recursive momentum for solving unconstrained optimization problems. These methods employ dynamically updated algorithmic parameters and do not require explicit knowledge of problem-dependent quantities such as the Lipschitz constant or noise bound. We establish first-order oracle complexity results for finding approximate stochastic stationary points under heavy-tailed noise and weakly average smoothness conditions -- both of which are weaker than the commonly used bounded variance and mean-squared smoothness assumptions. Our complexity bounds either improve upon or match the best-known results in the literature. Numerical experiments are presented to demonstrate the practical effectiveness of the proposed methods.
♻ ☆ SoK: Watermarking for AI-Generated Content
As the outputs of generative AI (GenAI) techniques improve in quality, it becomes increasingly challenging to distinguish them from human-created content. Watermarking schemes are a promising approach to address the problem of distinguishing between AI and human-generated content. These schemes embed hidden signals within AI-generated content to enable reliable detection. While watermarking is not a silver bullet for addressing all risks associated with GenAI, it can play a crucial role in enhancing AI safety and trustworthiness by combating misinformation and deception. This paper presents a comprehensive overview of watermarking techniques for GenAI, beginning with the need for watermarking from historical and regulatory perspectives. We formalize the definitions and desired properties of watermarking schemes and examine the key objectives and threat models for existing approaches. Practical evaluation strategies are also explored, providing insights into the development of robust watermarking techniques capable of resisting various attacks. Additionally, we review recent representative works, highlight open challenges, and discuss potential directions for this emerging field. By offering a thorough understanding of watermarking in GenAI, this work aims to guide researchers in advancing watermarking methods and applications, and support policymakers in addressing the broader implications of GenAI.
comment: IEEE S&P 2025
♻ ☆ AssistanceZero: Scalably Solving Assistance Games ICML 2025
Assistance games are a promising alternative to reinforcement learning from human feedback (RLHF) for training AI assistants. Assistance games resolve key drawbacks of RLHF, such as incentives for deceptive behavior, by explicitly modeling the interaction between assistant and user as a two-player game where the assistant cannot observe their shared goal. Despite their potential, assistance games have only been explored in simple settings. Scaling them to more complex environments is difficult because it requires both solving intractable decision-making problems under uncertainty and accurately modeling human users' behavior. We present the first scalable approach to solving assistance games and apply it to a new, challenging Minecraft-based assistance game with over $10^{400}$ possible goals. Our approach, AssistanceZero, extends AlphaZero with a neural network that predicts human actions and rewards, enabling it to plan under uncertainty. We show that AssistanceZero outperforms model-free RL algorithms and imitation learning in the Minecraft-based assistance game. In a human study, our AssistanceZero-trained assistant significantly reduces the number of actions participants take to complete building tasks in Minecraft. Our results suggest that assistance games are a tractable framework for training effective AI assistants in complex environments. Our code and models are available at https://github.com/cassidylaidlaw/minecraft-building-assistance-game.
comment: Presented at ICML 2025
♻ ☆ TimberStrike: Dataset Reconstruction Attack Revealing Privacy Leakage in Federated Tree-Based Systems
Federated Learning has emerged as a privacy-oriented alternative to centralized Machine Learning, enabling collaborative model training without direct data sharing. While extensively studied for neural networks, the security and privacy implications of tree-based models remain underexplored. This work introduces TimberStrike, an optimization-based dataset reconstruction attack targeting horizontally federated tree-based models. Our attack, carried out by a single client, exploits the discrete nature of decision trees by using split values and decision paths to infer sensitive training data from other clients. We evaluate TimberStrike on State-of-the-Art federated gradient boosting implementations across multiple frameworks, including Flower, NVFlare, and FedTree, demonstrating their vulnerability to privacy breaches. On a publicly available stroke prediction dataset, TimberStrike consistently reconstructs between 73.05% and 95.63% of the target dataset across all implementations. We further analyze Differential Privacy, showing that while it partially mitigates the attack, it also significantly degrades model performance. Our findings highlight the need for privacy-preserving mechanisms specifically designed for tree-based Federated Learning systems, and we provide preliminary insights into their design.
comment: Proceedings on Privacy Enhancing Technologies (To appear) 2025(4)
♻ ☆ Improving LLM Safety Alignment with Dual-Objective Optimization ICML 2025
Existing training-time safety alignment techniques for large language models (LLMs) remain vulnerable to jailbreak attacks. Direct preference optimization (DPO), a widely deployed alignment method, exhibits limitations in both experimental and theoretical contexts as its loss function proves suboptimal for refusal learning. Through gradient-based analysis, we identify these shortcomings and propose an improved safety alignment that disentangles DPO objectives into two components: (1) robust refusal training, which encourages refusal even when partial unsafe generations are produced, and (2) targeted unlearning of harmful knowledge. This approach significantly increases LLM robustness against a wide range of jailbreak attacks, including prefilling, suffix, and multi-turn attacks across both in-distribution and out-of-distribution scenarios. Furthermore, we introduce a method to emphasize critical refusal tokens by incorporating a reward-based token-level weighting mechanism for refusal learning, which further improves the robustness against adversarial exploits. Our research also suggests that robustness to jailbreak attacks is correlated with token distribution shifts in the training process and internal representations of refusal and harmful tokens, offering valuable directions for future research in LLM safety alignment. The code is available at https://github.com/wicai24/DOOR-Alignment
comment: ICML 2025
♻ ☆ Investigating the Relationship Between Physical Activity and Tailored Behavior Change Messaging: Connecting Contextual Bandit with Large Language Models
Machine learning approaches, such as contextual multi-armed bandit (cMAB) algorithms, offer a promising strategy to reduce sedentary behavior by delivering personalized interventions to encourage physical activity. However, cMAB algorithms typically require large participant samples to learn effectively and may overlook key psychological factors that are not explicitly encoded in the model. In this study, we propose a hybrid approach that combines cMAB for selecting intervention types with large language models (LLMs) to personalize message content. We evaluate four intervention types: behavioral self-monitoring, gain-framed, loss-framed, and social comparison, each delivered as a motivational message aimed at increasing motivation for physical activity and daily step count. Message content is further personalized using dynamic contextual factors including daily fluctuations in self-efficacy, social influence, and regulatory focus. Over a seven-day trial, participants receive daily messages assigned by one of four models: cMAB alone, LLM alone, combined cMAB with LLM personalization (cMABxLLM), or equal randomization (RCT). Outcomes include daily step count and message acceptance, assessed via ecological momentary assessments (EMAs). We apply a causal inference framework to evaluate the effects of each model. Our findings offer new insights into the complementary roles of LLM-based personalization and cMAB adaptation in promoting physical activity through personalized behavioral messaging.
♻ ☆ PLAY2PROMPT: Zero-shot Tool Instruction Optimization for LLM Agents via Tool Play ACL 2025
Large language models (LLMs) are increasingly integrated with specialized external tools, yet many tasks demand zero-shot tool usage with minimal or noisy documentation. Existing solutions rely on manual rewriting or labeled data for validation, making them inapplicable in true zero-shot settings. To address these challenges, we propose PLAY2PROMPT, an automated framework that systematically "plays" with each tool to explore its input-output behaviors. Through this iterative trial-and-error process, PLAY2PROMPT refines tool documentation and generates usage examples without any labeled data. These examples not only guide LLM inference but also serve as validation to further enhance tool utilization. Extensive experiments on real-world tasks demonstrate that PLAY2PROMPT significantly improves zero-shot tool performance across both open and closed models, offering a scalable and effective solution for domain-specific tool integration.
comment: ACL 2025 Long Paper (Findings)
♻ ☆ Three iterations of $(d-1)$-WL test distinguish non isometric clouds of $d$-dimensional points
The Weisfeiler--Lehman (WL) test is a fundamental iterative algorithm for checking isomorphism of graphs. It has also been observed that it underlies the design of several graph neural network architectures, whose capabilities and performance can be understood in terms of the expressive power of this test. Motivated by recent developments in machine learning applications to datasets involving three-dimensional objects, we study when the WL test is {\em complete} for clouds of euclidean points represented by complete distance graphs, i.e., when it can distinguish, up to isometry, any arbitrary such cloud. %arbitrary clouds of euclidean points represented by complete distance graphs. % How many dimensions of the Weisfeiler--Lehman test is enough to distinguish any two non-isometric point clouds in $d$-dimensional Euclidean space, assuming that these point clouds are given as complete graphs labeled by distances between the points? This question is important for understanding, which architectures of graph neural networks are capable of fully exploiting the spacial structure of a point cloud. Our main result states that the $(d-1)$-dimensional WL test is complete for point clouds in $d$-dimensional Euclidean space, for any $d\ge 2$, and that only three iterations of the test suffice. We also observe that the $d$-dimensional WL test only requires one iteration to achieve completeness. Our paper thus provides complete understanding of the 3-dimensional case: it was shown in previous works that 1-WL is not complete in $\mathbb{R}^3$, and we show that 2-WL is complete there. We also strengthen the lower bound for 1-WL by showing that it is unable to recognize planar point clouds in $\mathbb{R}^3$. Finally, we show that 2-WL is not complete in $\mathbb{R}^6$, leaving as an open question, whether it is complete in $\mathbb{R}^{d}$ for $d = 4,5$.
comment: Changes to previous version: new results, inability of 1-WL to recognize planar point clouds in R^3, and incompleteness of 2-WL in R^6
♻ ☆ Unveiling the Role of Randomization in Multiclass Adversarial Classification: Insights from Graph Theory AISTATS 2025
Randomization as a mean to improve the adversarial robustness of machine learning models has recently attracted significant attention. Unfortunately, much of the theoretical analysis so far has focused on binary classification, providing only limited insights into the more complex multiclass setting. In this paper, we take a step toward closing this gap by drawing inspiration from the field of graph theory. Our analysis focuses on discrete data distributions, allowing us to cast the adversarial risk minimization problems within the well-established framework of set packing problems. By doing so, we are able to identify three structural conditions on the support of the data distribution that are necessary for randomization to improve robustness. Furthermore, we are able to construct several data distributions where (contrarily to binary classification) switching from a deterministic to a randomized solution significantly reduces the optimal adversarial risk. These findings highlight the crucial role randomization can play in enhancing robustness to adversarial attacks in multiclass classification.
comment: 9 pages (main), 30 in total. Camera-ready version, accepted at AISTATS 2025. Erratum: Figure 3 was wrong, the three balls had a common intersection when they were not supposed to. Fixed the value of radius in tikz code
♻ ☆ mLaSDI: Multi-stage latent space dynamics identification
Determining accurate numerical solutions of partial differential equations (PDEs) is an important task in many scientific disciplines. However, solvers can be computationally expensive, leading to the development of reduced-order models (ROMs). Recently, Latent Space Dynamics Identification (LaSDI) was proposed as a data-driven, non-intrusive ROM framework. LaSDI compresses the training data using an autoencoder and learns a system of user-chosen ordinary differential equations (ODEs), which govern the latent space dynamics. This allows for rapid predictions by interpolating and evolving the low-dimensional ODEs in the latent space. While LaSDI has produced effective ROMs for numerous problems, the autoencoder can have difficulty accurately reconstructing training data while also satisfying the imposed dynamics in the latent space, particularly in complex or high-frequency regimes. To address this, we propose multi-stage Latent Space Dynamics Identification (mLaSDI). With mLaSDI, several autoencoders are trained sequentially in stages, where each autoencoder learns to correct the error of the previous stages. We find that applying mLaSDI with small autoencoders results in lower prediction and reconstruction errors, while also reducing training time compared to LaSDI.
♻ ☆ Latent Action Learning Requires Supervision in the Presence of Distractors ICML 2025
Recently, latent action learning, pioneered by Latent Action Policies (LAPO), have shown remarkable pre-training efficiency on observation-only data, offering potential for leveraging vast amounts of video available on the web for embodied AI. However, prior work has focused on distractor-free data, where changes between observations are primarily explained by ground-truth actions. Unfortunately, real-world videos contain action-correlated distractors that may hinder latent action learning. Using Distracting Control Suite (DCS) we empirically investigate the effect of distractors on latent action learning and demonstrate that LAPO struggle in such scenario. We propose LAOM, a simple LAPO modification that improves the quality of latent actions by 8x, as measured by linear probing. Importantly, we show that providing supervision with ground-truth actions, as few as 2.5% of the full dataset, during latent action learning improves downstream performance by 4.2x on average. Our findings suggest that integrating supervision during Latent Action Models (LAM) training is critical in the presence of distractors, challenging the conventional pipeline of first learning LAM and only then decoding from latent to ground-truth actions.
comment: ICML 2025, Poster, Project Page: https://laom.dunnolab.ai/, Source code: https://github.com/dunnolab/laom
♻ ☆ Multi-group Uncertainty Quantification for Long-form Text Generation
While past works have shown how uncertainty quantification can be applied to large language model (LLM) outputs, the question of whether resulting uncertainty guarantees still hold within sub-groupings of data remains open. In our work, given some long-form text generated by an LLM, we study uncertainty at both the level of individual claims contained within the output (via calibration) and across the entire output itself (via conformal prediction). Using biography generation as a testbed for this study, we derive a set of (demographic) attributes (e.g., whether some text describes a man or woman) for each generation to form such "subgroups" of data. We find that although canonical methods for both types of uncertainty quantification perform well when measuring across the entire dataset, such guarantees break down when examining particular subgroups. Having established this issue, we invoke group-conditional methods for uncertainty quantification -- multicalibration and multivalid conformal prediction -- and find that across a variety of approaches, additional subgroup information consistently improves calibration and conformal prediction within subgroups (while crucially retaining guarantees across the entire dataset). As the problems of calibration, conformal prediction, and their multi-group counterparts have not been extensively explored in the context of long-form text generation, we consider these results to form a benchmark for this setting.
comment: Updated to UAI 2025 camera ready version
♻ ☆ Breaking Distortion-free Watermarks in Large Language Models AAAI'25
In recent years, LLM watermarking has emerged as an attractive safeguard against AI-generated content, with promising applications in many real-world domains. However, there are growing concerns that the current LLM watermarking schemes are vulnerable to expert adversaries wishing to reverse-engineer the watermarking mechanisms. Prior work in breaking or stealing LLM watermarks mainly focuses on the distribution-modifying algorithm of Kirchenbauer et al. (2023), which perturbs the logit vector before sampling. In this work, we focus on reverse-engineering the other prominent LLM watermarking scheme, distortion-free watermarking (Kuditipudi et al. 2024), which preserves the underlying token distribution by using a hidden watermarking key sequence. We demonstrate that, even under a more sophisticated watermarking scheme, it is possible to compromise the LLM and carry out a spoofing attack, i.e. generate a large number of (potentially harmful) texts that can be attributed to the original watermarked LLM. Specifically, we propose using adaptive prompting and a sorting-based algorithm to accurately recover the underlying secret key for watermarking the LLM. Our empirical findings on LLAMA-3.1-8B-Instruct, Mistral-7B-Instruct, Gemma-7b, and OPT-125M challenge the current theoretical claims on the robustness and usability of the distortion-free watermarking techniques.
comment: 22 pages, 5 figures, 4 tables, earlier version presented at AAAI'25 Workshop on Preventing and Detecting LLM Generated Misinformation
♻ ☆ Debiasing Watermarks for Large Language Models via Maximal Coupling
Watermarking language models is essential for distinguishing between human and machine-generated text and thus maintaining the integrity and trustworthiness of digital communication. We present a novel green/red list watermarking approach that partitions the token set into ``green'' and ``red'' lists, subtly increasing the generation probability for green tokens. To correct token distribution bias, our method employs maximal coupling, using a uniform coin flip to decide whether to apply bias correction, with the result embedded as a pseudorandom watermark signal. Theoretical analysis confirms this approach's unbiased nature and robust detection capabilities. Experimental results show that it outperforms prior techniques by preserving text quality while maintaining high detectability, and it demonstrates resilience to targeted modifications aimed at improving text quality. This research provides a promising watermarking solution for language models, balancing effective detection with minimal impact on text quality.
comment: To appear in Journal of the American Statistical Association (JASA)
♻ ☆ Sample Complexity and Representation Ability of Test-time Scaling Paradigms
Test-time scaling paradigms have significantly advanced the capabilities of large language models (LLMs) on complex tasks. Despite their empirical success, theoretical understanding of the sample efficiency of various test-time strategies -- such as self-consistency, best-of-$n$, and self-correction -- remains limited. In this work, we first establish a separation result between two repeated sampling strategies: self-consistency requires $\Theta(1/\Delta^2)$ samples to produce the correct answer, while best-of-$n$ only needs $\Theta(1/\Delta)$, where $\Delta < 1$ denotes the probability gap between the correct and second most likely answers. Next, we present an expressiveness result for the self-correction approach with verifier feedback: it enables Transformers to simulate online learning over a pool of experts at test time. Therefore, a single Transformer architecture can provably solve multiple tasks without prior knowledge of the specific task associated with a user query, extending the representation theory of Transformers from single-task to multi-task settings. Finally, we empirically validate our theoretical results, demonstrating the practical effectiveness of self-correction methods.
♻ ☆ GraphThought: Graph Combinatorial Optimization with Thought Generation
Graph combinatorial optimization (GCO) problems are central to domains like logistics and bioinformatics. While traditional solvers dominate, large language models (LLMs) offer new possibilities for structured reasoning, yet struggle with complex GCO tasks requiring rigorous combinatorial analysis and multi-step deduction, often producing hallucinated steps. We first formalize the Optimal Thoughts Design (OTD) problem, which provides a structured guidance for producing high-quality intermediate reasoning steps. Building on this formulation, we introduce GraphThought, a novel framework that generates effective reasoning sequences through either heuristic-guided forward search or solver-aligned backward reasoning. By fine-tuning LLMs on these structured thought sequences, we develop Llama-GT, an 8B-parameter model that achieves state-of-the-art performance on the GraphArena benchmark, outperforming significantly larger models like DeepSeek-V3. Our results demonstrate that when scaffolded with structured reasoning priors, principled thought generation can significantly enhance LLM performance on GCO tasks without requiring increased model scale.
comment: 41 pages, 5 figures, 13 tables
♻ ☆ Simplicity bias and optimization threshold in two-layer ReLU networks ICML
Understanding generalization of overparametrized neural networks remains a fundamental challenge in machine learning. Most of the literature mostly studies generalization from an interpolation point of view, taking convergence of parameters towards a global minimum of the training loss for granted. While overparametrized architectures indeed interpolated the data for typical classification tasks, this interpolation paradigm does not seem valid anymore for more complex tasks such as in-context learning or diffusion. Instead for such tasks, it has been empirically observed that the trained models goes from global minima to spurious local minima of the training loss as the number of training samples becomes larger than some level we call optimization threshold. While the former yields a poor generalization to the true population loss, the latter was observed to actually correspond to the minimiser of this true loss. This paper explores theoretically this phenomenon in the context of two-layer ReLU networks. We demonstrate that, despite overparametrization, networks often converge toward simpler solutions rather than interpolating the training data, which can lead to a drastic improvement on the test loss with respect to interpolating solutions. Our analysis relies on the so called early alignment phase, during which neurons align towards specific directions. This directional alignment, which occurs in the early stage of training, leads to a simplicity bias, wherein the network approximates the ground truth model without converging to the global minimum of the training loss. Our results suggest that this bias, resulting in an optimization threshold from which interpolation is not reached anymore, is beneficial and enhances the generalization of trained models.
comment: ICML camera ready version
♻ ☆ On the Geometry of Receiver Operating Characteristic and Precision-Recall Curves
We study the geometry of Receiver Operating Characteristic (ROC) and Precision-Recall (PR) curves in binary classification problems. The key finding is that many of the most commonly used binary classification metrics are merely functions of the composition function $G := F_p \circ F_n^{-1}$, where $F_p(\cdot)$ and $F_n(\cdot)$ are the class-conditional cumulative distribution functions of the classifier scores in the positive and negative classes, respectively. This geometric perspective facilitates the selection of operating points, understanding the effect of decision thresholds, and comparison between classifiers. It also helps explain how the shapes and geometry of ROC/PR curves reflect classifier behavior, providing objective tools for building classifiers optimized for specific applications with context-specific constraints. We further explore the conditions for classifier dominance, present analytical and numerical examples demonstrating the effects of class separability and variance on ROC and PR geometries, and derive a link between the positive-to-negative class leakage function $G(\cdot)$ and the Kullback--Leibler divergence. The framework highlights practical considerations, such as model calibration, cost-sensitive optimization, and operating point selection under real-world capacity constraints, enabling more informed approaches to classifier deployment and decision-making.
♻ ☆ Learning richness modulates equality reasoning in neural networks
Equality reasoning is ubiquitous and purely abstract: sameness or difference may be evaluated no matter the nature of the underlying objects. As a result, same-different (SD) tasks have been extensively studied as a starting point for understanding abstract reasoning in humans and across animal species. With the rise of neural networks that exhibit striking apparent proficiency for abstractions, equality reasoning in these models has also gained interest. Yet despite extensive study, conclusions about equality reasoning vary widely and with little consensus. To clarify the underlying principles in learning SD tasks, we develop a theory of equality reasoning in multi-layer perceptrons (MLP). Following observations in comparative psychology, we propose a spectrum of behavior that ranges from conceptual to perceptual outcomes. Conceptual behavior is characterized by task-specific representations, efficient learning, and insensitivity to spurious perceptual details. Perceptual behavior is characterized by strong sensitivity to spurious perceptual details, accompanied by the need for exhaustive training to learn the task. We develop a mathematical theory to show that an MLP's behavior is driven by learning richness. Rich-regime MLPs exhibit conceptual behavior, whereas lazy-regime MLPs exhibit perceptual behavior. We validate our theoretical findings in vision SD experiments, showing that rich feature learning promotes success by encouraging hallmarks of conceptual behavior. Overall, our work identifies feature learning richness as a key parameter modulating equality reasoning, and suggests that equality reasoning in humans and animals may similarly depend on learning richness in neural circuits.
comment: 29 pages, 10 figures, code available at https://github.com/wtong98/equality-reasoning
♻ ☆ Empirical and computer-aided robustness analysis of long-step and accelerated methods in smooth convex optimization
This work assesses both empirically and theoretically, using the performance estimation methodology, how robust different first-order optimization methods are when subject to relative inexactness in their gradient computations. Relative inexactness occurs, for example, when compressing the gradient using fewer bits of information, which happens when dealing with large-scale problems on GPUs. Three major families of methods are analyzed: constant step gradient descent, long-step methods, and accelerated methods. The latter two are first shown to be theoretically not robust to inexactness. Then, a semi-heuristic shortening factor is introduced to improve their theoretical guarantees. All methods are subsequently tested on a concrete inexact problem, with two different types of relative inexactness, and it is observed that both accelerated methods are much more robust than expected, and that the shortening factor significantly helps the long-step methods. In the end, all shortened methods appear to be promising, even in this inexact setting.
♻ ☆ General targeted machine learning for modern causal mediation analysis
Causal mediation analyses investigate the mechanisms through which causes exert their effects, and are therefore central to scientific progress. The literature on the non-parametric definition and identification of mediational effects in rigourous causal models has grown significantly in recent years, and there has been important progress to address challenges in the interpretation and identification of such effects. Despite great progress in the causal inference front, statistical methodology for non-parametric estimation has lagged behind, with few or no methods available for tackling non-parametric estimation in the presence of multiple, continuous, or high-dimensional mediators. In this paper we show that the identification formulas for six popular non-parametric approaches to mediation analysis proposed in recent years can be recovered from just two statistical estimands. We leverage this finding to propose an all-purpose one-step estimation algorithm that can be coupled with machine learning in any mediation study that uses any of these six definitions of mediation. The estimators have desirable properties, such as $\sqrt{n}$-convergence and asymptotic normality. Estimating the first-order correction for the one-step estimator requires estimation of complex density ratios on the potentially high-dimensional mediators, a challenge that is solved using recent advancements in so-called Riesz learning. We illustrate the properties of our methods in a simulation study and illustrate its use on real data to estimate the extent to which pain management practices mediate the total effect of having a chronic pain disorder on opioid use disorder.
♻ ☆ Near-Optimal Algorithms for Constrained k-Center Clustering with Instance-level Background Knowledge
Center-based clustering has attracted significant research interest from both theory and practice. In many practical applications, input data often contain background knowledge that can be used to improve clustering results. In this work, we build on widely adopted $k$-center clustering and model its input background knowledge as must-link (ML) and cannot-link (CL) constraint sets. However, most clustering problems including $k$-center are inherently $\mathcal{NP}$-hard, while the more complex constrained variants are known to suffer severer approximation and computation barriers that significantly limit their applicability. By employing a suite of techniques including reverse dominating sets, linear programming (LP) integral polyhedron, and LP duality, we arrive at the first efficient approximation algorithm for constrained $k$-center with the best possible ratio of 2. We also construct competitive baseline algorithms and empirically evaluate our approximation algorithm against them on a variety of real datasets. The results validate our theoretical findings and demonstrate the great advantages of our algorithm in terms of clustering cost, clustering quality, and running time.
♻ ☆ Divide-Fuse-Conquer: Eliciting "Aha Moments" in Multi-Scenario Games
Large language models (LLMs) have been observed to suddenly exhibit advanced reasoning abilities during reinforcement learning (RL), resembling an ``aha moment'' triggered by simple outcome-based rewards. While RL has proven effective in eliciting such breakthroughs in tasks involving mathematics, coding, and vision, it faces significant challenges in multi-scenario games. The diversity of game rules, interaction modes, and environmental complexities often leads to policies that perform well in one scenario but fail to generalize to others. Simply combining multiple scenarios during training introduces additional challenges, such as training instability and poor performance. To overcome these challenges, we propose Divide-Fuse-Conquer, a framework designed to enhance generalization in multi-scenario RL. This approach starts by heuristically grouping games based on characteristics such as rules and difficulties. Specialized models are then trained for each group to excel at games in the group is what we refer to as the divide step. Next, we fuse model parameters from different groups as a new model, and continue training it for multiple groups, until the scenarios in all groups are conquered. Experiments across 18 TextArena games show that Qwen2.5-32B-Align trained with the Divide-Fuse-Conquer strategy reaches a performance level comparable to Claude3.5, achieving 7 wins and 4 draws. We hope our approach can inspire future research on using reinforcement learning to improve the generalization of LLMs.
comment: 25 pages, 13 figures, and 8 tables
♻ ☆ Adaptive Federated LoRA in Heterogeneous Wireless Networks with Independent Sampling
Federated LoRA has emerged as a promising technique for efficiently fine-tuning large language models (LLMs) on distributed devices by reducing the number of trainable parameters. However, existing approaches often inadequately overlook the theoretical and practical implications of system and data heterogeneity, thereby failing to optimize the overall training efficiency, particularly in terms of wall-clock time. In this paper, we propose an adaptive federated LoRA strategy with independent client sampling to minimize the convergence wall-clock time of federated fine-tuning under both computation and communication heterogeneity. We first derive a new convergence bound for federated LoRA with arbitrary and independent client sampling, notably without requiring the stringent bounded gradient assumption. Then, we introduce an adaptive bandwidth allocation scheme that accounts for heterogeneous client resources and system bandwidth constraints. Based on the derived theory, we formulate and solve a non-convex optimization problem to jointly determine the LoRA sketching ratios and sampling probabilities, aiming to minimize wall-clock convergence time. An efficient and low-complexity algorithm is developed to approximate the solution. Finally, extensive experiments demonstrate that our approach significantly reduces wall-clock training time compared to state-of-the-art methods across various models and datasets.
comment: 13 pages, Submitted to IEEE Journal on Selected Areas in Communications (JSAC). arXiv admin note: text overlap with arXiv:2402.10097
♻ ☆ Mimicking Human Intuition: Cognitive Belief-Driven Reinforcement Learning ICML 2025
Traditional reinforcement learning (RL) methods mainly rely on trial-and-error exploration, often lacking mechanisms to guide agents toward more informative decision-making and struggling to leverage past experiences, resulting in low sample efficiency. To overcome this issue, we propose an innovative framework inspired by cognitive principles: Cognitive Belief-Driven Reinforcement Learning (CBD-RL). By incorporating cognitive heuristics, CBD-RL transforms conventional trial-and-error learning into a more structured and guided learning paradigm, simulating the human reasoning process. This framework's core is a belief system that optimizes action probabilities by integrating feedback with prior experience, thus enhancing decision making under uncertainty. It also organizes state-action pairs into meaningful categories, promoting generalization and improving sample efficiency. The concrete implementations of this framework, CBDQ, CBDPPO, and CBDSAC, demonstrate superior performance in discrete and continuous action spaces in diverse environments such as Atari and MuJoCo. By bridging cognitive science and reinforcement learning, this research opens a new avenue for developing RL systems that are more interpretable, efficient, and cognitively inspired.
comment: Accepted by ICML 2025 Workshop on Models of Human Feedback for AI Alignment
♻ ☆ Incentivizing Quality Text Generation via Statistical Contracts NeurIPS 2024
While the success of large language models (LLMs) increases demand for machine-generated text, current pay-per-token pricing schemes create a misalignment of incentives known in economics as moral hazard: Text-generating agents have strong incentive to cut costs by preferring a cheaper model over the cutting-edge one, and this can be done "behind the scenes" since the agent performs inference internally. In this work, we approach this issue from an economic perspective, by proposing a pay-for-performance, contract-based framework for incentivizing quality. We study a principal-agent game where the agent generates text using costly inference, and the contract determines the principal's payment for the text according to an automated quality evaluation. Since standard contract theory is inapplicable when internal inference costs are unknown, we introduce cost-robust contracts. As our main theoretical contribution, we characterize optimal cost-robust contracts through a direct correspondence to optimal composite hypothesis tests from statistics, generalizing a result of Saig et al. (NeurIPS'23). We evaluate our framework empirically by deriving contracts for a range of objectives and LLM evaluation benchmarks, and find that cost-robust contracts sacrifice only a marginal increase in objective value compared to their cost-aware counterparts.
comment: NeurIPS 2024
♻ ☆ Great Models Think Alike and this Undermines AI Oversight
As Language Model (LM) capabilities advance, evaluating and supervising them at scale is getting harder for humans. There is hope that other language models can automate both these tasks, which we refer to as ''AI Oversight''. We study how model similarity affects both aspects of AI oversight by proposing Chance Adjusted Probabilistic Agreement (CAPA): a metric for LM similarity based on overlap in model mistakes. Using CAPA, we first show that LLM-as-a-judge scores favor models similar to the judge, generalizing recent self-preference results. Then, we study training on LM annotations, and find complementary knowledge between the weak supervisor and strong student model plays a crucial role in gains from ''weak-to-strong generalization''. As model capabilities increase, it becomes harder to find their mistakes, and we might defer more to AI oversight. However, we observe a concerning trend -- model mistakes are becoming more similar with increasing capabilities, pointing to risks from correlated failures. Our work underscores the importance of reporting and correcting for model similarity, especially in the emerging paradigm of AI oversight.
comment: 60 pages, 20 figures
♻ ☆ Persistent Topological Features in Large Language Models ICML 2025
Understanding the decision-making processes of large language models is critical given their widespread applications. To achieve this, we aim to connect a formal mathematical framework -- zigzag persistence from topological data analysis -- with practical and easily applicable algorithms. Zigzag persistence is particularly effective for characterizing data as it dynamically transforms across model layers. Within this framework, we introduce topological descriptors that measure how topological features, $p$-dimensional holes, persist and evolve throughout the layers. Unlike methods that assess each layer individually and then aggregate the results, our approach directly tracks the full evolutionary path of these features. This offers a statistical perspective on how prompts are rearranged and their relative positions changed in the representation space, providing insights into the system's operation as an integrated whole. To demonstrate the expressivity and applicability of our framework, we highlight how sensitive these descriptors are to different models and a variety of datasets. As a showcase application to a downstream task, we use zigzag persistence to establish a criterion for layer pruning, achieving results comparable to state-of-the-art methods while preserving the system-level perspective.
comment: 10+6 pages, 7 figures, 1 table. Accepted as poster at ICML 2025
♻ ☆ Graphical Transformation Models
Graphical Transformation Models (GTMs) are introduced as a novel approach to effectively model multivariate data with intricate marginals and complex dependency structures non-parametrically, while maintaining interpretability through the identification of varying conditional independencies. GTMs extend multivariate transformation models by replacing the Gaussian copula with a custom-designed multivariate transformation, offering two major advantages. Firstly, GTMs can capture more complex interdependencies using penalized splines, which also provide an efficient regularization scheme. Secondly, we demonstrate how to approximately regularize GTMs using a lasso penalty towards pairwise conditional independencies, akin to Gaussian graphical models. The model's robustness and effectiveness are validated through simulations, showcasing its ability to accurately learn parametric vine copulas and identify conditional independencies. Additionally, the model is applied to a benchmark astrophysics dataset, where the GTM demonstrates favorable performance compared to non-parametric vine copulas in learning complex multivariate distributions.
comment: 36 pages, 10 Figures, presented at the DAGStat 2025 in Berlin
♻ ☆ A User's Guide to Sampling Strategies for Sliced Optimal Transport
This paper serves as a user's guide to sampling strategies for sliced optimal transport. We provide reminders and additional regularity results on the Sliced Wasserstein distance. We detail the construction methods, generation time complexity, theoretical guarantees, and conditions for each strategy. Additionally, we provide insights into their suitability for sliced optimal transport in theory. Extensive experiments on both simulated and real-world data offer a representative comparison of the strategies, culminating in practical recommendations for their best usage.
♻ ☆ Hybrid Bernstein Normalizing Flows for Flexible Multivariate Density Regression with Interpretable Marginals
Density regression models allow a comprehensive understanding of data by modeling the complete conditional probability distribution. While flexible estimation approaches such as normalizing flows (NF) work particularly well in multiple dimensions, interpreting the input-output relationship of such models is often difficult, due to the black-box character of deep learning models. In contrast, existing statistical methods for multivariate outcomes such as multivariate conditional transformation models (MCTM) are restricted in flexibility and are often not expressive enough to represent complex multivariate probability distributions. In this paper, we combine MCTM with state-of-the-art and autoregressive NF to leverage the transparency of MCTM for modeling interpretable feature effects on the marginal distributions in the first step and the flexibility of neural-network-based NF techniques to account for complex and non-linear relationships in the joint data distribution. We demonstrate our method's versatility in various numerical experiments and compare it with MCTM and other NF models on both simulated and real-world data.
♻ ☆ BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language models (pLM) training on hundreds of graphical processing units (GPUs). We introduce the BioNeMo Framework to facilitate the training of computational biology and chemistry AI models across hundreds of GPUs. Its modular design allows the integration of individual components, such as data loaders, into existing workflows and is open to community contributions. We detail technical features of the BioNeMo Framework through use cases such as pLM pre-training and fine-tuning. On 256 NVIDIA A100s, BioNeMo Framework trains a three billion parameter BERT-based pLM on over one trillion tokens in 4.2 days. The BioNeMo Framework is open-source and free for everyone to use.
♻ ☆ Testing Generalizability in Causal Inference
Ensuring robust model performance in diverse real-world scenarios requires addressing generalizability across domains with covariate shifts. However, no formal procedure exists for statistically evaluating generalizability in machine learning algorithms. Existing predictive metrics like mean squared error (MSE) help to quantify the relative performance between models, but do not directly answer whether a model can or cannot generalize. To address this gap in the domain of causal inference, we propose a systematic framework for statistically evaluating the generalizability of high-dimensional causal inference models. Our approach uses the frugal parameterization to flexibly simulate from fully and semi-synthetic causal benchmarks, offering a comprehensive evaluation for both mean and distributional regression methods. Grounded in real-world data, our method ensures more realistic evaluations, which is often missing in current work relying on simplified datasets. Furthermore, using simulations and statistical testing, our framework is robust and avoids over-reliance on conventional metrics, providing statistical safeguards for decision making.
comment: 17 pages, 10 figures, In Proceedings for UAI 2025
♻ ☆ Incentivizing Reasoning for Advanced Instruction-Following of Large Language Models
Existing large language models (LLMs) face challenges of following complex instructions, especially when multiple constraints are present and organized in paralleling, chaining, and branching structures. One intuitive solution, namely chain-of-thought (CoT), is expected to universally improve capabilities of LLMs. However, we find that the vanilla CoT exerts a negative impact on performance due to its superficial reasoning pattern of simply paraphrasing the instructions. It fails to peel back the compositions of constraints for identifying their relationship across hierarchies of types and dimensions. To this end, we propose a systematic method to boost LLMs in dealing with complex instructions via incentivizing reasoning for test-time compute scaling. First, we stem from the decomposition of complex instructions under existing taxonomies and propose a reproducible data acquisition method. Second, we exploit reinforcement learning (RL) with verifiable rule-centric reward signals to cultivate reasoning specifically for instruction following. We address the shallow, non-essential nature of reasoning under complex instructions via sample-wise contrast for superior CoT enforcement. We also exploit behavior cloning of experts to facilitate steady distribution shift from fast-thinking LLMs to skillful reasoners. Extensive evaluations on seven comprehensive benchmarks confirm the validity of the proposed method, where a 1.5B LLM achieves 11.74% gains with performance comparable to a 8B LLM. Codes and data are available at https://github.com/yuleiqin/RAIF.
comment: 13 pages of main body, 3 tables, 5 figures, 45 pages of appendix
♻ ☆ A hierarchical approach for assessing the vulnerability of tree-based classification models to membership inference attack
Machine learning models can inadvertently expose confidential properties of their training data, making them vulnerable to membership inference attacks (MIA). While numerous evaluation methods exist, many require computationally expensive processes, such as training multiple shadow models. This article presents two new complementary approaches for efficiently identifying vulnerable tree-based models: an ante-hoc analysis of hyperparameter choices and a post-hoc examination of trained model structure. While these new methods cannot certify whether a model is safe from MIA, they provide practitioners with a means to significantly reduce the number of models that need to undergo expensive MIA assessment through a hierarchical filtering approach. More specifically, it is shown that the rank order of disclosure risk for different hyperparameter combinations remains consistent across datasets, enabling the development of simple, human-interpretable rules for identifying relatively high-risk models before training. While this ante-hoc analysis cannot determine absolute safety since this also depends on the specific dataset, it allows the elimination of unnecessarily risky configurations during hyperparameter tuning. Additionally, computationally inexpensive structural metrics serve as indicators of MIA vulnerability, providing a second filtering stage to identify risky models after training but before conducting expensive attacks. Empirical results show that hyperparameter-based risk prediction rules can achieve high accuracy in predicting the most at risk combinations of hyperparameters across different tree-based model types, while requiring no model training. Moreover, target model accuracy is not seen to correlate with privacy risk, suggesting opportunities to optimise model configurations for both performance and privacy.
♻ ☆ FedRAG: A Framework for Fine-Tuning Retrieval-Augmented Generation Systems ICML 2025
Retrieval-augmented generation (RAG) systems have been shown to be effective in addressing many of the drawbacks of relying solely on the parametric memory of large language models. Recent work has demonstrated that RAG systems can be improved via fine-tuning of their retriever and generator models. In this work, we introduce FedRAG, a framework for fine-tuning RAG systems across centralized and federated architectures. FedRAG supports state-of-the-art fine-tuning methods, offering a simple and intuitive interface and a seamless conversion from centralized to federated training tasks. FedRAG is also deeply integrated with the modern RAG ecosystem, filling a critical gap in available tools.
comment: 9 pages, 4 figures, 2 tables. Accepted for the CODEML Workshop at ICML 2025. Framework code available at https://github.com/VectorInstitute/fed-rag
♻ ☆ Scalable unsupervised feature selection via weight stability
Unsupervised feature selection is critical for improving clustering performance in high-dimensional data, where irrelevant features can obscure meaningful structure. In this work, we introduce the Minkowski weighted $k$-means++, a novel initialisation strategy for the Minkowski Weighted $k$-means. Our initialisation selects centroids probabilistically using feature relevance estimates derived from the data itself. Building on this, we propose two new feature selection algorithms, FS-MWK++, which aggregates feature weights across a range of Minkowski exponents to identify stable and informative features, and SFS-MWK++, a scalable variant based on subsampling. We support our approach with a theoretical guarantee under mild assumptions and extensive experiments showing that our methods consistently outperform existing alternatives. Our software can be found at https://github.com/xzhang4-ops1/FSMWK.
♻ ☆ STOAT: Spatial-Temporal Probabilistic Causal Inference Network
Spatial-temporal causal time series (STC-TS) involve region-specific temporal observations driven by causally relevant covariates and interconnected across geographic or network-based spaces. Existing methods often model spatial and temporal dynamics independently and overlook causality-driven probabilistic forecasting, limiting their predictive power. To address this, we propose STOAT (Spatial-Temporal Probabilistic Causal Inference Network), a novel framework for probabilistic forecasting in STC-TS. The proposed method extends a causal inference approach by incorporating a spatial relation matrix that encodes interregional dependencies (e.g. proximity or connectivity), enabling spatially informed causal effect estimation. The resulting latent series are processed by deep probabilistic models to estimate the parameters of the distributions, enabling calibrated uncertainty modeling. We further explore multiple output distributions (e.g., Gaussian, Student's-$t$, Laplace) to capture region-specific variability. Experiments on COVID-19 data across six countries demonstrate that STOAT outperforms state-of-the-art probabilistic forecasting models (DeepAR, DeepVAR, Deep State Space Model, etc.) in key metrics, particularly in regions with strong spatial dependencies. By bridging causal inference and geospatial probabilistic forecasting, STOAT offers a generalizable framework for complex spatial-temporal tasks, such as epidemic management.
♻ ☆ Learning hidden cascades via classification
The spreading dynamics in social networks are often studied under the assumption that individuals' statuses, whether informed or infected, are fully observable. However, in many real-world situations, such statuses remain unobservable, which is crucial for determining an individual's potential to further spread the infection. While this final status is hidden, intermediate indicators such as symptoms of infection are observable and provide important insights into the spread process. We propose a partial observability-aware Machine Learning framework to learn the characteristics of the spreading model. We term the method Distribution Classification, which utilizes the power of classifiers to infer the underlying transmission dynamics. We evaluate our method on two types of synthetic networks and extend the study to a real-world insider trading network. Results show that the method performs well, especially on complex networks with high cyclic connectivity, supporting its utility in analyzing real-world spreading phenomena where direct observation of individual statuses is not possible.
♻ ☆ Croppable Knowledge Graph Embedding ACL 2025
Knowledge Graph Embedding (KGE) is a common approach for Knowledge Graphs (KGs) in AI tasks. Embedding dimensions depend on application scenarios. Requiring a new dimension means training a new KGE model from scratch, increasing cost and limiting efficiency and flexibility. In this work, we propose a novel KGE training framework MED. It allows one training to obtain a croppable KGE model for multiple scenarios with different dimensional needs. Sub-models of required dimensions can be directly cropped and used without extra training. In MED, we propose a mutual learning mechanism to improve the low-dimensional sub-models and make high-dimensional sub-models retain the low-dimensional sub-models' capacity, an evolutionary improvement mechanism to promote the high-dimensional sub-models to master the triple that the low-dimensional sub-models can not, and a dynamic loss weight to adaptively balance the multiple losses. Experiments on 4 KGE models across 4 standard KG completion datasets, 3 real-world scenarios using a large-scale KG, and extending MED to the BERT language model demonstrate its effectiveness, high efficiency, and flexible extensibility.
comment: Accepted to ACL 2025 Main Conference
♻ ☆ Implicit Language Models are RNNs: Balancing Parallelization and Expressivity
State-space models (SSMs) and transformers dominate the language modeling landscape. However, they are constrained to a lower computational complexity than classical recurrent neural networks (RNNs), limiting their expressivity. In contrast, RNNs lack parallelization during training, raising fundamental questions about the trade off between parallelization and expressivity. We propose implicit SSMs, which iterate a transformation until convergence to a fixed point. Theoretically, we show that implicit SSMs implement the non-linear state-transitions of RNNs. Empirically, we find that only approximate fixed-point convergence suffices, enabling the design of a scalable training curriculum that largely retains parallelization, with full convergence required only for a small subset of tokens. Our approach demonstrates superior state-tracking capabilities on regular languages, surpassing transformers and SSMs. We further scale implicit SSMs to natural language reasoning tasks and pretraining of large-scale language models up to 1.3B parameters on 207B tokens representing, to our knowledge, the largest implicit model trained to date. Notably, our implicit models outperform their explicit counterparts on standard benchmarks. Our code is publicly available at http://github.com/microsoft/implicit_languagemodels .
comment: 25 pages, 12 figures, 7 tables
♻ ☆ SR-Reward: Taking The Path More Traveled
In this paper, we propose a novel method for learning reward functions directly from offline demonstrations. Unlike traditional inverse reinforcement learning (IRL), our approach decouples the reward function from the learner's policy, eliminating the adversarial interaction typically required between the two. This results in a more stable and efficient training process. Our reward function, called \textit{SR-Reward}, leverages successor representation (SR) to encode a state based on expected future states' visitation under the demonstration policy and transition dynamics. By utilizing the Bellman equation, SR-Reward can be learned concurrently with most reinforcement learning (RL) algorithms without altering the existing training pipeline. We also introduce a negative sampling strategy to mitigate overestimation errors by reducing rewards for out-of-distribution data, thereby enhancing robustness. This strategy inherently introduces a conservative bias into RL algorithms that employ the learned reward. We evaluate our method on the D4RL benchmark, achieving competitive results compared to offline RL algorithms with access to true rewards and imitation learning (IL) techniques like behavioral cloning. Moreover, our ablation studies on data size and quality reveal the advantages and limitations of SR-Reward as a proxy for true rewards.
♻ ☆ VeriContaminated: Assessing LLM-Driven Verilog Coding for Data Contamination
Large Language Models (LLMs) have revolutionized code generation, achieving exceptional results on various established benchmarking frameworks. However, concerns about data contamination - where benchmark data inadvertently leaks into pre-training or fine-tuning datasets - raise questions about the validity of these evaluations. While this issue is known, limiting the industrial adoption of LLM-driven software engineering, hardware coding has received little to no attention regarding these risks. For the first time, we analyze state-of-the-art (SOTA) evaluation frameworks for Verilog code generation (VerilogEval and RTLLM), using established methods for contamination detection (CCD and Min-K% Prob). We cover SOTA commercial and open-source LLMs (CodeGen2.5, Minitron 4b, Mistral 7b, phi-4 mini, LLaMA-{1,2,3.1}, GPT-{2,3.5,4o}, Deepseek-Coder, and CodeQwen 1.5), in baseline and fine-tuned models (RTLCoder and Verigen). Our study confirms that data contamination is a critical concern. We explore mitigations and the resulting trade-offs for code quality vs fairness (i.e., reducing contamination toward unbiased benchmarking).
♻ ☆ RmGPT: A Foundation Model with Generative Pre-trained Transformer for Fault Diagnosis and Prognosis in Rotating Machinery
In industry, the reliability of rotating machinery is critical for production efficiency and safety. Current methods of Prognostics and Health Management (PHM) often rely on task-specific models, which face significant challenges in handling diverse datasets with varying signal characteristics, fault modes and operating conditions. Inspired by advancements in generative pretrained models, we propose RmGPT, a unified model for diagnosis and prognosis tasks. RmGPT introduces a novel generative token-based framework, incorporating Signal Tokens, Prompt Tokens, Time-Frequency Task Tokens and Fault Tokens to handle heterogeneous data within a unified model architecture. We leverage self-supervised learning for robust feature extraction and introduce a next signal token prediction pretraining strategy, alongside efficient prompt learning for task-specific adaptation. Extensive experiments demonstrate that RmGPT significantly outperforms state-of-the-art algorithms, achieving near-perfect accuracy in diagnosis tasks and exceptionally low errors in prognosis tasks. Notably, RmGPT excels in few-shot learning scenarios, achieving 82\% accuracy in 16-class one-shot experiments, highlighting its adaptability and robustness. This work establishes RmGPT as a powerful PHM foundation model for rotating machinery, advancing the scalability and generalizability of PHM solutions. \textbf{Code is available at: https://github.com/Pandalin98/RmGPT.
comment: This paper has been accepted for publication in the IEEE Internet of Things Journal (IoT-J). The final version may differ slightly due to editorial revisions. Please cite the journal version when available
♻ ☆ Automated Generation of Precedence Graphs in Digital Value Chains for Automotive Production
This study examines the digital value chain in automotive manufacturing, focusing on the identification, software flashing, customization, and commissioning of electronic control units in vehicle networks. A novel precedence graph design is proposed to optimize this process chain using an automated scheduling algorithm, which combines structured data extraction from heterogeneous sources via natural language processing and classification techniques with mixed integer linear programming for efficient graph generation. The results show significant improvements in key metrics. The algorithm reduces the number of production stations equipped with expensive hardware and software to execute digital value chain processes, while also increasing capacity utilization through efficient scheduling and reduced idle time. Task parallelization is optimized, resulting in streamlined workflows and increased throughput. Compared to the traditional scheduling method, the automated approach has reduced preparation time by 50% and reduced scheduling activities, as it now takes two minutes to create the precedence graph. The flexibility of the algorithm's constraints allows for vehicle-specific configurations while maintaining high responsiveness, eliminating backup stations and facilitating the integration of new topologies. Automated scheduling significantly outperforms manual methods in efficiency, functionality, and adaptability.
comment: \c{opyright}2025 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works
Diffusion-Free Graph Generation with Next-Scale Prediction
Autoregressive models excel in efficiency and plug directly into the transformer ecosystem, delivering robust generalization, predictable scalability, and seamless workflows such as fine-tuning and parallelized training. However, they require an explicit sequence order, which contradicts the unordered nature of graphs. In contrast, diffusion models maintain permutation invariance and enable one-shot generation but require up to thousands of denoising steps and additional features for expressivity, leading to high computational costs. Inspired by recent breakthroughs in image generation, especially the success of visual autoregressive methods, we propose MAG, a novel diffusion-free graph generation framework based on next-scale prediction. By leveraging a hierarchy of latent representations, the model progressively generates scales of the entire graph without the need for explicit node ordering. Experiments on both generic and molecular graph datasets demonstrated the potential of this method, achieving inference speedups of up to three orders of magnitude over state-of-the-art methods, while preserving high-quality generation.
comment: Camera-ready version
♻ ☆ CoRT: Code-integrated Reasoning within Thinking
Large Reasoning Models (LRMs) like o1 and DeepSeek-R1 have shown remarkable progress in natural language reasoning with long chain-of-thought (CoT), yet they remain inefficient or inaccurate when handling complex mathematical operations. Addressing these limitations through computational tools (e.g., computation libraries and symbolic solvers) is promising, but it introduces a technical challenge: Code Interpreter (CI) brings external knowledge beyond the model's internal text representations, thus the direct combination is not efficient. This paper introduces CoRT, a post-training framework for teaching LRMs to leverage CI effectively and efficiently. As a first step, we address the data scarcity issue by synthesizing code-integrated reasoning data through Hint-Engineering, which strategically inserts different hints at appropriate positions to optimize LRM-CI interaction. We manually create 30 high-quality samples, upon which we post-train models ranging from 1.5B to 32B parameters, with supervised fine-tuning, rejection fine-tuning and reinforcement learning. Our experimental results demonstrate that Hint-Engineering models achieve 4\% and 8\% absolute improvements on DeepSeek-R1-Distill-Qwen-32B and DeepSeek-R1-Distill-Qwen-1.5B respectively, across five challenging mathematical reasoning datasets. Furthermore, Hint-Engineering models use about 30\% fewer tokens for the 32B model and 50\% fewer tokens for the 1.5B model compared with the natural language models. The models and code are available at https://github.com/ChengpengLi1003/CoRT.
comment: work in progress
♻ ☆ TSFM-Bench: A Comprehensive and Unified Benchmark of Foundation Models for Time Series Forecasting
Time Series Forecasting (TSF) is key functionality in numerous fields, such as financial investment, weather services, and energy management. Although increasingly capable TSF methods occur, many of them require domain-specific data collection and model training and do not generalize well when applied in other domains. Time Series Foundation Models (TSFMs) that are pre-trained on massive heterogeneous time series data aim to overcome these limitations. The prospects for generalizability have spurred the development of a new generation of TSFMs. This study proposes a benchmark, TSFM-Bench, to facilitate comprehensive and unified evaluation of TSFMs. TSFM-Bench covers a wide range of TSFMs, including those based on large language models and those pre-trained on time series data. TSFM-Bench supports multiple forecasting scenarios, including zero-shot, few-shot, and full-shot, enabling assessment across the full range of adaptation strategies. TSFM-Bench also provides a standardized experimental protocols for critical evaluation processes such as dataset splitting, loading, normalization, and few-shot sampling, facilitating consistency and fairness. We report on an extensive evaluation of TSFMs across a diverse range of datasets spanning multiple domains and exhibiting varied statistical characteristics. Specifically, we identify pros and cons and inherent limitations of existing TSFMs, and we propose potential directions for new model designs.
♻ ☆ Graph-Dependent Regret Bounds in Multi-Armed Bandits with Interference
We study multi-armed bandits under network interference, where each unit's reward depends on its own treatment and those of its neighbors in a given graph. This induces an exponentially large action space, making standard approaches computationally impractical. We propose a novel algorithm that uses the local graph structure to minimize regret. We derive a graph-dependent upper bound on cumulative regret that improves over prior work. Additionally, we provide the first lower bounds for bandits with arbitrary network interference, where each bound involves a distinct structural property of the graph. These bounds show that for both dense and sparse graphs, our algorithm is nearly optimal, with matching upper and lower bounds up to logarithmic factors. When the interference graph is unknown, a variant of our algorithm is Pareto optimal: no algorithm can uniformly outperform it across all instances. We complement our theoretical results with numerical experiments, showing that our approach outperforms the baseline methods.
♻ ☆ Flexible Tails for Normalizing Flows ICML 2025
Normalizing flows are a flexible class of probability distributions, expressed as transformations of a simple base distribution. A limitation of standard normalizing flows is representing distributions with heavy tails, which arise in applications to both density estimation and variational inference. A popular current solution to this problem is to use a heavy tailed base distribution. We argue this can lead to poor performance due to the difficulty of optimising neural networks, such as normalizing flows, under heavy tailed input. We propose an alternative, "tail transform flow" (TTF), which uses a Gaussian base distribution and a final transformation layer which can produce heavy tails. Experimental results show this approach outperforms current methods, especially when the target distribution has large dimension or tail weight.
comment: Accepted at ICML 2025
♻ ☆ Deploying Open-Source Large Language Models: A performance Analysis
Since the release of ChatGPT in November 2022, large language models (LLMs) have seen considerable success, including in the open-source community, with many open-weight models available. However, the requirements to deploy such a service are often unknown and difficult to evaluate in advance. To facilitate this process, we conducted numerous tests at the Centre Inria de l'Universit\'e de Bordeaux. In this article, we propose a comparison of the performance of several models of different sizes (mainly Mistral and LLaMa) depending on the available GPUs, using vLLM, a Python library designed to optimize the inference of these models. Our results provide valuable information for private and public groups wishing to deploy LLMs, allowing them to evaluate the performance of different models based on their available hardware. This study thus contributes to facilitating the adoption and use of these large language models in various application domains.
♻ ☆ Pretraining Generative Flow Networks with Inexpensive Rewards for Molecular Graph Generation
Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework often restrict exploration by using predefined molecular fragments as building blocks, limiting the chemical space that can be accessed. In this work, we introduce Atomic GFlowNets (A-GFNs), a foundational generative model leveraging individual atoms as building blocks to explore drug-like chemical space more comprehensively. We propose an unsupervised pre-training approach using drug-like molecule datasets, which teaches A-GFNs about inexpensive yet informative molecular descriptors such as drug-likeliness, topological polar surface area, and synthetic accessibility scores. These properties serve as proxy rewards, guiding A-GFNs towards regions of chemical space that exhibit desirable pharmacological properties. We further implement a goal-conditioned finetuning process, which adapts A-GFNs to optimize for specific target properties. In this work, we pretrain A-GFN on a subset of ZINC dataset, and by employing robust evaluation metrics we show the effectiveness of our approach when compared to other relevant baseline methods for a wide range of drug design tasks. The code is accessible at https://github.com/diamondspark/AGFN.
comment: arXiv admin note: text overlap with arXiv:2409.09702
♻ ☆ Universal Neural Optimal Transport ICML 2025
Optimal Transport (OT) problems are a cornerstone of many applications, but solving them is computationally expensive. To address this problem, we propose UNOT (Universal Neural Optimal Transport), a novel framework capable of accurately predicting (entropic) OT distances and plans between discrete measures for a given cost function. UNOT builds on Fourier Neural Operators, a universal class of neural networks that map between function spaces and that are discretization-invariant, which enables our network to process measures of variable resolutions. The network is trained adversarially using a second, generating network and a self-supervised bootstrapping loss. We ground UNOT in an extensive theoretical framework. Through experiments on Euclidean and non-Euclidean domains, we show that our network not only accurately predicts OT distances and plans across a wide range of datasets, but also captures the geometry of the Wasserstein space correctly. Furthermore, we show that our network can be used as a state-of-the-art initialization for the Sinkhorn algorithm with speedups of up to $7.4\times$, significantly outperforming existing approaches.
comment: 37 pages, 19 figures, accepted to ICML 2025
♻ ☆ Density Ratio Estimation with Conditional Probability Paths ICML 2025
Density ratio estimation in high dimensions can be reframed as integrating a certain quantity, the time score, over probability paths which interpolate between the two densities. In practice, the time score has to be estimated based on samples from the two densities. However, existing methods for this problem remain computationally expensive and can yield inaccurate estimates. Inspired by recent advances in generative modeling, we introduce a novel framework for time score estimation, based on a conditioning variable. Choosing the conditioning variable judiciously enables a closed-form objective function. We demonstrate that, compared to previous approaches, our approach results in faster learning of the time score and competitive or better estimation accuracies of the density ratio on challenging tasks. Furthermore, we establish theoretical guarantees on the error of the estimated density ratio.
comment: To appear in ICML 2025
♻ ☆ Inference-Time Decomposition of Activations (ITDA): A Scalable Approach to Interpreting Large Language Models ICML 2025
Sparse autoencoders (SAEs) are a popular method for decomposing Large Langage Models (LLM) activations into interpretable latents. However, due to their substantial training cost, most academic research uses open-source SAEs which are only available for a restricted set of models of up to 27B parameters. SAE latents are also learned from a dataset of activations, which means they do not transfer between models. Motivated by relative representation similarity measures, we introduce Inference-Time Decomposition of Activations (ITDA) models, an alternative method for decomposing language model activations. To train an ITDA, we greedily construct a dictionary of language model activations on a dataset of prompts, selecting those activations which were worst approximated by matching pursuit on the existing dictionary. ITDAs can be trained in just 1% of the time required for SAEs, using 1% of the data. This allowed us to train ITDAs on Llama-3.1 70B and 405B on a single consumer GPU. ITDAs can achieve similar reconstruction performance to SAEs on some target LLMs, but generally incur a performance penalty. However, ITDA dictionaries enable cross-model comparisons, and a simple Jaccard similarity index on ITDA dictionaries outperforms existing methods like CKA, SVCCA, and relative representation similarity metrics. ITDAs provide a cheap alternative to SAEs where computational resources are limited, or when cross model comparisons are necessary. Code available at https://github.com/pleask/itda.
comment: ICML 2025
♻ ☆ Distortion-Aware Brushing for Reliable Cluster Analysis in Multidimensional Projections
Brushing is a common interaction technique in 2D scatterplots, allowing users to select clustered points within a continuous, enclosed region for further analysis or filtering. However, applying conventional brushing to 2D representations of multidimensional (MD) data, i.e., Multidimensional Projections (MDPs), can lead to unreliable cluster analysis due to MDP-induced distortions that inaccurately represent the cluster structure of the original MD data. To alleviate this problem, we introduce a novel brushing technique for MDPs called Distortion-aware brushing. As users perform brushing, Distortion-aware brushing corrects distortions around the currently brushed points by dynamically relocating points in the projection, pulling data points close to the brushed points in MD space while pushing distant ones apart. This dynamic adjustment helps users brush MD clusters more accurately, leading to more reliable cluster analysis. Our user studies with 24 participants show that Distortion-aware brushing significantly outperforms previous brushing techniques for MDPs in accurately separating clusters in the MD space and remains robust against distortions. We further demonstrate the effectiveness of our technique through two use cases: (1) conducting cluster analysis of geospatial data and (2) interactively labeling MD clusters.
comment: Under review
♻ ☆ TransMLA: Multi-Head Latent Attention Is All You Need
In this paper, we present TransMLA, a framework that seamlessly converts any GQA-based pre-trained model into an MLA-based model. Our approach enables direct compatibility with DeepSeek's codebase, allowing these models to fully leverage DeepSeek-specific optimizations such as vLLM and SGlang. By compressing 93% of the KV cache in LLaMA-2-7B, TransMLA achieves a 10.6x inference speedup at an 8K context length while preserving meaningful output quality. Additionally, the model requires only 6 billion tokens for fine-tuning to regain performance on par with the original across multiple benchmarks. TransMLA offers a practical solution for migrating GQA-based models to the MLA structure. When combined with DeepSeek's advanced features, such as FP8 quantization and Multi-Token Prediction, even greater inference acceleration can be realized.
comment: https://github.com/fxmeng/TransMLA
♻ ☆ ConfPO: Exploiting Policy Model Confidence for Critical Token Selection in Preference Optimization ICML 2025
We introduce ConfPO, a method for preference learning in Large Language Models (LLMs) that identifies and optimizes preference-critical tokens based solely on the training policy's confidence, without requiring any auxiliary models or compute. Unlike prior Direct Alignment Algorithms (DAAs) such as Direct Preference Optimization (DPO), which uniformly adjust all token probabilities regardless of their relevance to preference, ConfPO focuses optimization on the most impactful tokens. This targeted approach improves alignment quality while mitigating overoptimization (i.e., reward hacking) by using the KL divergence budget more efficiently. In contrast to recent token-level methods that rely on credit-assignment models or AI annotators, raising concerns about scalability and reliability, ConfPO is simple, lightweight, and model-free. Experimental results on challenging alignment benchmarks, including AlpacaEval 2 and Arena-Hard, demonstrate that ConfPO consistently outperforms uniform DAAs across various LLMs, delivering better alignment with zero additional computational overhead.
comment: ICML 2025
♻ ☆ Generative Uncertainty in Diffusion Models
Diffusion models have recently driven significant breakthroughs in generative modeling. While state-of-the-art models produce high-quality samples on average, individual samples can still be low quality. Detecting such samples without human inspection remains a challenging task. To address this, we propose a Bayesian framework for estimating generative uncertainty of synthetic samples. We outline how to make Bayesian inference practical for large, modern generative models and introduce a new semantic likelihood (evaluated in the latent space of a feature extractor) to address the challenges posed by high-dimensional sample spaces. Through our experiments, we demonstrate that the proposed generative uncertainty effectively identifies poor-quality samples and significantly outperforms existing uncertainty-based methods. Notably, our Bayesian framework can be applied post-hoc to any pretrained diffusion or flow matching model (via the Laplace approximation), and we propose simple yet effective techniques to minimize its computational overhead during sampling.
♻ ☆ MAYA: Addressing Inconsistencies in Generative Password Guessing through a Unified Benchmark
Recent advances in generative models have led to their application in password guessing, with the aim of replicating the complexity, structure, and patterns of human-created passwords. Despite their potential, inconsistencies and inadequate evaluation methodologies in prior research have hindered meaningful comparisons and a comprehensive, unbiased understanding of their capabilities. This paper introduces MAYA, a unified, customizable, plug-and-play benchmarking framework designed to facilitate the systematic characterization and benchmarking of generative password-guessing models in the context of trawling attacks. Using MAYA, we conduct a comprehensive assessment of six state-of-the-art approaches, which we re-implemented and adapted to ensure standardization. Our evaluation spans eight real-world password datasets and covers an exhaustive set of advanced testing scenarios, totaling over 15,000 compute hours. Our findings indicate that these models effectively capture different aspects of human password distribution and exhibit strong generalization capabilities. However, their effectiveness varies significantly with long and complex passwords. Through our evaluation, sequential models consistently outperform other generative architectures and traditional password-guessing tools, demonstrating unique capabilities in generating accurate and complex guesses. Moreover, the diverse password distributions learned by the models enable a multi-model attack that outperforms the best individual model. By releasing MAYA, we aim to foster further research, providing the community with a new tool to consistently and reliably benchmark generative password-guessing models. Our framework is publicly available at https://github.com/williamcorrias/MAYA-Password-Benchmarking.
♻ ☆ Bandit Convex Optimisation
Bandit convex optimisation is a fundamental framework for studying zeroth-order convex optimisation. This book covers the many tools used for this problem, including cutting plane methods, interior point methods, continuous exponential weights, gradient descent and online Newton step. The nuances between the many assumptions and setups are explained. Although there is not much truly new here, some existing tools are applied in novel ways to obtain new algorithms. A few bounds are improved in minor ways.
comment: 275 pages. More polished and some new results
♻ ☆ Evolutionary Prediction Games
When a prediction algorithm serves a collection of users, disparities in prediction quality are likely to emerge. If users respond to accurate predictions by increasing engagement, inviting friends, or adopting trends, repeated learning creates a feedback loop that shapes both the model and the population of its users. In this work, we introduce evolutionary prediction games, a framework grounded in evolutionary game theory which models such feedback loops as natural-selection processes among groups of users. Our theoretical analysis reveals a gap between idealized and real-world learning settings: In idealized settings with unlimited data and computational power, repeated learning creates competition and promotes competitive exclusion across a broad class of behavioral dynamics. However, under realistic constraints such as finite data, limited compute, or risk of overfitting, we show that stable coexistence and mutualistic symbiosis between groups becomes possible. We analyze these possibilities in terms of their stability and feasibility, present mechanisms that can sustain their existence, and empirically demonstrate our findings.
comment: Comments are welcome
♻ ☆ Identifiability Challenges in Sparse Linear Ordinary Differential Equations
Dynamical systems modeling is a core pillar of scientific inquiry across natural and life sciences. Increasingly, dynamical system models are learned from data, rendering identifiability a paramount concept. For systems that are not identifiable from data, no guarantees can be given about their behavior under new conditions and inputs, or about possible control mechanisms to steer the system. It is known in the community that "linear ordinary differential equations (ODE) are almost surely identifiable from a single trajectory." However, this only holds for dense matrices. The sparse regime remains underexplored, despite its practical relevance with sparsity arising naturally in many biological, social, and physical systems. In this work, we address this gap by characterizing the identifiability of sparse linear ODEs. Contrary to the dense case, we show that sparse systems are unidentifiable with a positive probability in practically relevant sparsity regimes and provide lower bounds for this probability. We further study empirically how this theoretical unidentifiability manifests in state-of-the-art methods to estimate linear ODEs from data. Our results corroborate that sparse systems are also practically unidentifiable. Theoretical limitations are not resolved through inductive biases or optimization dynamics. Our findings call for rethinking what can be expected from data-driven dynamical system modeling and allows for quantitative assessments of how much to trust a learned linear ODE.
comment: 9 pages, 4 figures
♻ ☆ Free Record-Level Privacy Risk Evaluation Through Artifact-Based Methods
Membership inference attacks (MIAs) are widely used to empirically assess privacy risks in machine learning models, both providing model-level vulnerability metrics and identifying the most vulnerable training samples. State-of-the-art methods, however, require training hundreds of shadow models with the same architecture as the target model. This makes the computational cost of assessing the privacy of models prohibitive for many practical applications, particularly when used iteratively as part of the model development process and for large models. We propose a novel approach for identifying the training samples most vulnerable to membership inference attacks by analyzing artifacts naturally available during the training process. Our method, Loss Trace Interquartile Range (LT-IQR), analyzes per-sample loss trajectories collected during model training to identify high-risk samples without requiring any additional model training. Through experiments on standard benchmarks, we demonstrate that LT-IQR achieves 92% precision@k=1% in identifying the samples most vulnerable to state-of-the-art MIAs. This result holds across datasets and model architectures with LT-IQR outperforming both traditional vulnerability metrics, such as loss, and lightweight MIAs using few shadow models. We also show LT-IQR to accurately identify points vulnerable to multiple MIA methods and perform ablation studies. We believe LT-IQR enables model developers to identify vulnerable training samples, for free, as part of the model development process. Our results emphasize the potential of artifact-based methods to efficiently evaluate privacy risks.
♻ ☆ Obliviate: Efficient Unmemorization for Protecting Intellectual Property in Large Language Models
Recent copyright agreements between AI companies and content creators underscore the need for fine-grained control over language models' ability to reproduce copyrighted text. Existing defenses-ranging from aggressive unlearning to simplistic output filters-either sacrifice model utility or inadequately address verbatim leakage. We introduce Obliviate, a lightweight post-training method that surgically suppresses exact reproduction of specified sequences while preserving semantic understanding. Obliviate first identifies memorized passages and then, for each target token, minimally adjusts the model's output distribution via a Kullback-Leibler divergence penalty to drive down the probability of exact reproduction. Simultaneously, we enforce a consistency loss on non-target tokens to retain the model's fluency and task performance. We evaluate Obliviate on four popular 6-8B-parameter models (LLaMA-3.1, LLaMA-3.1-Instruct, Qwen-2.5, and Yi-1.5) using synthetic memorization benchmarks and organic copyrighted excerpts (e.g., Moby Dick, Frankenstein, Alice in Wonderland and Les Miserables). Across all settings, Obliviate reduces verbatim recall by two orders of magnitude (e.g., from hundreds of words to fewer than 12) while degrading downstream accuracy by at most 1% on HellaSwag, MMLU, TruthfulQA, and Winogrande. Furthermore, we benchmark Obliviate aganist different unlearning and copyright techniques using the MUSE and CoTaEval benchmarks. These results position Obliviate as a practical, high-fidelity solution for copyright compliance in deployed LLMs.
♻ ☆ Exploring Performance-Complexity Trade-Offs in Sound Event Detection Models
We target the problem of developing new low-complexity networks for the sound event detection task. Our goal is to meticulously analyze the performance-complexity trade-off, aiming to be competitive with the large state-of-the-art models, at a fraction of the computational requirements. We find that low-complexity convolutional models previously proposed for audio tagging can be effectively adapted for event detection (which requires frame-wise prediction) by adjusting convolutional strides, removing the global pooling, and, importantly, adding a sequence model before the (now frame-wise) classification heads. Systematic experiments reveal that the best choice for the sequence model type depends on which complexity metric is most important for the given application. We also investigate the impact of enhanced training strategies such as knowledge distillation. In the end, we show that combined with an optimized training strategy, we can reach event detection performance comparable to state-of-the-art transformers while requiring only around 5% of the parameters. We release all our pre-trained models and the code for reproducing this work to support future research in low-complexity sound event detection at https://github.com/theMoro/EfficientSED.
comment: In Proceedings of the 33rd European Signal Processing Conference (EUSIPCO 2025), Palermo, Italy
♻ ☆ Decision Making under the Exponential Family: Distributionally Robust Optimisation with Bayesian Ambiguity Sets ICML 2025
Decision making under uncertainty is challenging as the data-generating process (DGP) is often unknown. Bayesian inference proceeds by estimating the DGP through posterior beliefs on the model's parameters. However, minimising the expected risk under these beliefs can lead to suboptimal decisions due to model uncertainty or limited, noisy observations. To address this, we introduce Distributionally Robust Optimisation with Bayesian Ambiguity Sets (DRO-BAS) which hedges against model uncertainty by optimising the worst-case risk over a posterior-informed ambiguity set. We provide two such sets, based on posterior expectations (DRO-BAS(PE)) or posterior predictives (DRO-BAS(PP)) and prove that both admit, under conditions, strong dual formulations leading to efficient single-stage stochastic programs which are solved with a sample average approximation. For DRO-BAS(PE) this covers all conjugate exponential family members while for DRO-BAS(PP) this is shown under conditions on the predictive's moment generating function. Our DRO-BAS formulations outperform existing Bayesian DRO on the Newsvendor problem and achieve faster solve times with comparable robustness on the Portfolio problem.
comment: Accepted for publication (spotlight) at ICML 2025
♻ ☆ Learning in Budgeted Auctions with Spacing Objectives
In many repeated auction settings, participants care not only about how frequently they win but also how their winnings are distributed over time. This problem arises in various practical domains where avoiding congested demand is crucial, such as online retail sales and compute services, as well as in advertising campaigns that require sustained visibility over time. We introduce a simple model of this phenomenon, modeling it as a budgeted auction where the value of a win is a concave function of the time since the last win. This implies that for a given number of wins, even spacing over time is optimal. We also extend our model and results to the case when not all wins result in "conversions" (realization of actual gains), and the probability of conversion depends on a context. The goal is to maximize and evenly space conversions rather than just wins. We study the optimal policies for this setting in second-price auctions and offer learning algorithms for the bidders that achieve low regret against the optimal bidding policy in a Bayesian online setting. Our main result is a computationally efficient online learning algorithm that achieves $\tilde O(\sqrt T)$ regret. We achieve this by showing that an infinite-horizon Markov decision process (MDP) with the budget constraint in expectation is essentially equivalent to our problem, even when limiting that MDP to a very small number of states. The algorithm achieves low regret by learning a bidding policy that chooses bids as a function of the context and the system's state, which will be the time elapsed since the last win (or conversion). We show that state-independent strategies incur linear regret even without uncertainty of conversions. We complement this by showing that there are state-independent strategies that, while still having linear regret, achieve a $(1-\frac 1 e)$ approximation to the optimal reward.
comment: Accepted in EC'25
♻ ☆ QuXAI: Explainers for Hybrid Quantum Machine Learning Models
The emergence of hybrid quantum-classical machine learning (HQML) models opens new horizons of computational intelligence but their fundamental complexity frequently leads to black box behavior that undermines transparency and reliability in their application. Although XAI for quantum systems still in its infancy, a major research gap is evident in robust global and local explainability approaches that are designed for HQML architectures that employ quantized feature encoding followed by classical learning. The gap is the focus of this work, which introduces QuXAI, an framework based upon Q-MEDLEY, an explainer for explaining feature importance in these hybrid systems. Our model entails the creation of HQML models incorporating quantum feature maps, the use of Q-MEDLEY, which combines feature based inferences, preserving the quantum transformation stage and visualizing the resulting attributions. Our result shows that Q-MEDLEY delineates influential classical aspects in HQML models, as well as separates their noise, and competes well against established XAI techniques in classical validation settings. Ablation studies more significantly expose the virtues of the composite structure used in Q-MEDLEY. The implications of this work are critically important, as it provides a route to improve the interpretability and reliability of HQML models, thus promoting greater confidence and being able to engage in safer and more responsible use of quantum-enhanced AI technology. Our code and experiments are open-sourced at: https://github.com/GitsSaikat/QuXAI
comment: 16 pages, 6 figures, 7 equations
♻ ☆ A Weighted Loss Approach to Robust Federated Learning under Data Heterogeneity
Federated learning (FL) is a machine learning paradigm that enables multiple data holders to collaboratively train a machine learning model without sharing their training data with external parties. In this paradigm, workers locally update a model and share with a central server their updated gradients (or model parameters). While FL seems appealing from a privacy perspective, it opens a number of threats from a security perspective as (Byzantine) participants can contribute poisonous gradients (or model parameters) harming model convergence. Byzantine-resilient FL addresses this issue by ensuring that the training proceeds as if Byzantine participants were absent. Towards this purpose, common strategies ignore outlier gradients during model aggregation, assuming that Byzantine gradients deviate more from honest gradients than honest gradients do from each other. However, in heterogeneous settings, honest gradients may differ significantly, making it difficult to distinguish honest outliers from Byzantine ones. In this paper, we introduce the Worker Label Alignement Loss (WoLA), a weighted loss that aligns honest worker gradients despite data heterogeneity, which facilitates the identification of Byzantines' gradients. This approach significantly outperforms state-of-the-art methods in heterogeneous settings. In this paper, we provide both theoretical insights and empirical evidence of its effectiveness.
♻ ☆ Subgraph Gaussian Embedding Contrast for Self-Supervised Graph Representation Learning
Graph Representation Learning (GRL) is a fundamental task in machine learning, aiming to encode high-dimensional graph-structured data into low-dimensional vectors. Self-Supervised Learning (SSL) methods are widely used in GRL because they can avoid expensive human annotation. In this work, we propose a novel Subgraph Gaussian Embedding Contrast (SubGEC) method. Our approach introduces a subgraph Gaussian embedding module, which adaptively maps subgraphs to a structured Gaussian space, ensuring the preservation of input subgraph characteristics while generating subgraphs with a controlled distribution. We then employ optimal transport distances, more precisely the Wasserstein and Gromov-Wasserstein distances, to effectively measure the similarity between subgraphs, enhancing the robustness of the contrastive learning process. Extensive experiments across multiple benchmarks demonstrate that \method~outperforms or presents competitive performance against state-of-the-art approaches. Our findings provide insights into the design of SSL methods for GRL, emphasizing the importance of the distribution of the generated contrastive pairs.
♻ ☆ Differentially private and decentralized randomized power method
The randomized power method has gained significant interest due to its simplicity and efficient handling of large-scale spectral analysis and recommendation tasks. However, its application to large datasets containing personal information (e.g., web interactions, search history, personal tastes) raises critical privacy problems. This paper addresses these issues by proposing enhanced privacy-preserving variants of the method. First, we propose a variant that reduces the amount of the noise required in current techniques to achieve Differential Privacy (DP). More precisely, we refine the privacy analysis so that the Gaussian noise variance no longer grows linearly with the target rank, achieving the same DP guarantees with strictly less noise. Second, we adapt our method to a decentralized framework in which data is distributed among multiple users. The decentralized protocol strengthens privacy guarantees with no accuracy penalty and a low computational and communication overhead. Our results include the provision of tighter convergence bounds for both the centralized and decentralized versions, and an empirical comparison with previous work using real recommendation datasets.
♻ ☆ Large Scale Multi-Task Bayesian Optimization with Large Language Models
In multi-task Bayesian optimization, the goal is to leverage experience from optimizing existing tasks to improve the efficiency of optimizing new ones. While approaches using multi-task Gaussian processes or deep kernel transfer exist, the performance improvement is marginal when scaling beyond a moderate number of tasks. We introduce a novel approach leveraging large language models (LLMs) to learn from, and improve upon, previous optimization trajectories, scaling to approximately 1500 distinct tasks. Specifically, we propose a feedback loop in which an LLM is fine-tuned on the high quality solutions to specific tasks found by Bayesian optimization (BO). This LLM is then used to generate initialization points for future BO searches for new tasks. The trajectories of these new searches provide additional training data for fine-tuning the LLM, completing the loop. We evaluate our method on two distinct domains: database query optimization and antimicrobial peptide design. Results demonstrate that our approach creates a positive feedback loop, where the LLM's generated initializations gradually improve, leading to better optimization performance. As this feedback loop continues, we find that the LLM is eventually able to generate solutions to new tasks in just a few shots that are better than the solutions produced by "from scratch" by Bayesian optimization while simultaneously requiring significantly fewer oracle calls.
♻ ☆ Quality over Quantity: Boosting Data Efficiency Through Ensembled Multimodal Data Curation
In an era overwhelmed by vast amounts of data, the effective curation of web-crawl datasets is essential for optimizing model performance. This paper tackles the challenges associated with the unstructured and heterogeneous nature of such datasets. Traditional heuristic curation methods often inadequately capture complex features, resulting in biases and the exclusion of relevant data. We introduce an advanced, learning-driven approach, Ensemble Curation Of DAta ThroUgh Multimodal Operators (EcoDatum), incorporating a novel quality-guided deduplication method to ensure balanced feature distributions. EcoDatum strategically integrates various unimodal and multimodal data curation operators within a weak supervision ensemble framework, utilizing automated optimization to score each data point effectively. EcoDatum, which significantly improves the data curation quality and efficiency, outperforms existing state-of-the-art (SOTA) techniques, ranked 1st on the DataComp leaderboard, with an average performance score of 0.182 across 38 diverse evaluation datasets. This represents a 28% improvement over the DataComp baseline method, demonstrating its effectiveness in improving dataset curation and model training efficiency.
♻ ☆ Don't Lag, RAG: Training-Free Adversarial Detection Using RAG ICML 2025
Adversarial patch attacks pose a major threat to vision systems by embedding localized perturbations that mislead deep models. Traditional defense methods often require retraining or fine-tuning, making them impractical for real-world deployment. We propose a training-free Visual Retrieval-Augmented Generation (VRAG) framework that integrates Vision-Language Models (VLMs) for adversarial patch detection. By retrieving visually similar patches and images that resemble stored attacks in a continuously expanding database, VRAG performs generative reasoning to identify diverse attack types, all without additional training or fine-tuning. We extensively evaluate open-source large-scale VLMs, including Qwen-VL-Plus, Qwen2.5-VL-72B, and UI-TARS-72B-DPO, alongside Gemini-2.0, a closed-source model. Notably, the open-source UI-TARS-72B-DPO model achieves up to 95 percent classification accuracy, setting a new state-of-the-art for open-source adversarial patch detection. Gemini-2.0 attains the highest overall accuracy, 98 percent, but remains closed-source. Experimental results demonstrate VRAG's effectiveness in identifying a variety of adversarial patches with minimal human annotation, paving the way for robust, practical defenses against evolving adversarial patch attacks.
comment: Accepted at VecDB @ ICML 2025
♻ ☆ A Conjoint Graph Representation Learning Framework for Hypertension Comorbidity Risk Prediction
The comorbidities of hypertension impose a heavy burden on patients and society. Early identification is necessary to prompt intervention, but it remains a challenging task. This study aims to address this challenge by combining joint graph learning with network analysis. Motivated by this discovery, we develop a Conjoint Graph Representation Learning (CGRL) framework that: a) constructs two networks based on disease coding, including the patient network and the disease difference network. Three comorbidity network features were generated based on the basic difference network to capture the potential relationship between comorbidities and risk diseases; b) incorporates computational structure intervention and learning feature representation, CGRL was developed to predict the risks of diabetes and coronary heart disease in patients; and c) analysis the comorbidity patterns and exploring the pathways of disease progression, the pathological pathogenesis of diabetes and coronary heart disease may be revealed. The results show that the network features extracted based on the difference network are important, and the framework we proposed provides more accurate predictions than other strong models in terms of accuracy.
♻ ☆ Zero-Shot Offline Imitation Learning via Optimal Transport
Zero-shot imitation learning algorithms hold the promise of reproducing unseen behavior from as little as a single demonstration at test time. Existing practical approaches view the expert demonstration as a sequence of goals, enabling imitation with a high-level goal selector, and a low-level goal-conditioned policy. However, this framework can suffer from myopic behavior: the agent's immediate actions towards achieving individual goals may undermine long-term objectives. We introduce a novel method that mitigates this issue by directly optimizing the occupancy matching objective that is intrinsic to imitation learning. We propose to lift a goal-conditioned value function to a distance between occupancies, which are in turn approximated via a learned world model. The resulting method can learn from offline, suboptimal data, and is capable of non-myopic, zero-shot imitation, as we demonstrate in complex, continuous benchmarks. The code is available at https://github.com/martius-lab/zilot.
♻ ☆ Engagement-Driven Content Generation with Large Language Models
Large Language Models (LLMs) demonstrate significant persuasive capabilities in one-on-one interactions, but their influence within social networks, where interconnected users and complex opinion dynamics pose unique challenges, remains underexplored. This paper addresses the research question: \emph{Can LLMs generate meaningful content that maximizes user engagement on social networks?} To answer this, we propose a pipeline using reinforcement learning with simulated feedback, where the network's response to LLM-generated content (i.e., the reward) is simulated through a formal engagement model. This approach bypasses the temporal cost and complexity of live experiments, enabling an efficient feedback loop between the LLM and the network under study. It also allows to control over endogenous factors such as the LLM's position within the social network and the distribution of opinions on a given topic. Our approach is adaptive to the opinion distribution of the underlying network and agnostic to the specifics of the engagement model, which is embedded as a plug-and-play component. Such flexibility makes it suitable for more complex engagement tasks and interventions in computational social science. Using our framework, we analyze the performance of LLMs in generating social engagement under different conditions, showcasing their full potential in this task. The experimental code is publicly available at https://github.com/mminici/Engagement-Driven-Content-Generation.
♻ ☆ PASCO (PArallel Structured COarsening): an overlay to speed up graph clustering algorithms
Clustering the nodes of a graph is a cornerstone of graph analysis and has been extensively studied. However, some popular methods are not suitable for very large graphs: e.g., spectral clustering requires the computation of the spectral decomposition of the Laplacian matrix, which is not applicable for large graphs with a large number of communities. This work introduces PASCO, an overlay that accelerates clustering algorithms. Our method consists of three steps: 1-We compute several independent small graphs representing the input graph by applying an efficient and structure-preserving coarsening algorithm. 2-A clustering algorithm is run in parallel onto each small graph and provides several partitions of the initial graph. 3-These partitions are aligned and combined with an optimal transport method to output the final partition. The PASCO framework is based on two key contributions: a novel global algorithm structure designed to enable parallelization and a fast, empirically validated graph coarsening algorithm that preserves structural properties. We demonstrate the strong performance of 1 PASCO in terms of computational efficiency, structural preservation, and output partition quality, evaluated on both synthetic and real-world graph datasets.
♻ ☆ Glimpse: Generalized Locality for Scalable and Robust CT
Deep learning has become the state-of-the-art approach to medical tomographic imaging. A common approach is to feed the result of a simple inversion, for example the backprojection, to a multiscale convolutional neural network (CNN) which computes the final reconstruction. Despite good results on in-distribution test data, this often results in overfitting certain large-scale structures and poor generalization on out-of-distribution (OOD) samples. Moreover, the memory and computational complexity of multiscale CNNs scale unfavorably with image resolution, making them impractical for application at realistic clinical resolutions. In this paper, we introduce Glimpse, a local coordinate-based neural network for computed tomography which reconstructs a pixel value by processing only the measurements associated with the neighborhood of the pixel. Glimpse significantly outperforms successful CNNs on OOD samples, while achieving comparable or better performance on in-distribution test data and maintaining a memory footprint almost independent of image resolution; 5GB memory suffices to train on 1024x1024 images which is orders of magnitude less than CNNs. Glimpse is fully differentiable and can be used plug-and-play in arbitrary deep learning architectures, enabling feats such as correcting miscalibrated projection orientations. Our implementation and Google Colab demo can be accessed at https://github.com/swing-research/Glimpse.
comment: 21 pages, 14 figures
♻ ☆ Extending AALpy with Passive Learning: A Generalized State-Merging Approach
AALpy is a well-established open-source automata learning library written in Python with a focus on active learning of systems with IO behavior. It provides a wide range of state-of-the-art algorithms for different automaton types ranging from fully deterministic to probabilistic automata. In this work, we present the recent addition of a generalized implementation of an important method from the domain of passive automata learning: state-merging in the red-blue framework. Using a common internal representation for different automaton types allows for a general and highly configurable implementation of the red-blue framework. We describe how to define and execute state-merging algorithms using AALpy, which reduces the implementation effort for state-merging algorithms mainly to the definition of compatibility criteria and scoring. This aids the implementation of both existing and novel algorithms. In particular, defining some existing state-merging algorithms from the literature with AALpy only takes a few lines of code.
comment: Accepted for publication at CAV 2025, the 37th International Conference on Computer Aided Verification
♻ ☆ Expert Race: A Flexible Routing Strategy for Scaling Diffusion Transformer with Mixture of Experts
Diffusion models have emerged as mainstream framework in visual generation. Building upon this success, the integration of Mixture of Experts (MoE) methods has shown promise in enhancing model scalability and performance. In this paper, we introduce Race-DiT, a novel MoE model for diffusion transformers with a flexible routing strategy, Expert Race. By allowing tokens and experts to compete together and select the top candidates, the model learns to dynamically assign experts to critical tokens. Additionally, we propose per-layer regularization to address challenges in shallow layer learning, and router similarity loss to prevent mode collapse, ensuring better expert utilization. Extensive experiments on ImageNet validate the effectiveness of our approach, showcasing significant performance gains while promising scaling properties.
♻ ☆ MasHost Builds It All: Autonomous Multi-Agent System Directed by Reinforcement Learning
Large Language Model (LLM)-driven Multi-agent systems (Mas) have recently emerged as a powerful paradigm for tackling complex real-world tasks. However, existing Mas construction methods typically rely on manually crafted interaction mechanisms or heuristic rules, introducing human biases and constraining the autonomous ability. Even with recent advances in adaptive Mas construction, existing systems largely remain within the paradigm of semi-autonomous patterns. In this work, we propose MasHost, a Reinforcement Learning (RL)-based framework for autonomous and query-adaptive Mas design. By formulating Mas construction as a graph search problem, our proposed MasHost jointly samples agent roles and their interactions through a unified probabilistic sampling mechanism. Beyond the accuracy and efficiency objectives pursued in prior works, we introduce component rationality as an additional and novel design principle in Mas. To achieve this multi-objective optimization, we propose Hierarchical Relative Policy Optimization (HRPO), a novel RL strategy that collaboratively integrates group-relative advantages and action-wise rewards. To our knowledge, our proposed MasHost is the first RL-driven framework for autonomous Mas graph construction. Extensive experiments on six benchmarks demonstrate that MasHost consistently outperforms most competitive baselines, validating its effectiveness, efficiency, and structure rationality.
♻ ☆ From Features to Graphs: Exploring Graph Structures and Pairwise Interactions via GNNs
Feature interaction is crucial in predictive machine learning models, as it captures the relationships between features that influence model performance. In this work, we focus on pairwise interactions and investigate their importance in constructing feature graphs for Graph Neural Networks (GNNs). We leverage existing GNN models and tools to explore the relationship between feature graph structures and their effectiveness in modeling interactions. Through experiments on synthesized datasets, we uncover that edges between interacting features are important for enabling GNNs to model feature interactions effectively. We also observe that including non-interaction edges can act as noise, degrading model performance. Furthermore, we provide theoretical support for sparse feature graph selection using the Minimum Description Length (MDL) principle. We prove that feature graphs retaining only necessary interaction edges yield a more efficient and interpretable representation than complete graphs, aligning with Occam's Razor. Our findings offer both theoretical insights and practical guidelines for designing feature graphs that improve the performance and interpretability of GNN models.
comment: This work has been submitted to the IEEE for possible publication
♻ ☆ CheMatAgent: Enhancing LLMs for Chemistry and Materials Science through Tree-Search Based Tool Learning
Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To address these issues, we propose an LLM-based agent that synergistically integrates 137 external chemical tools created ranging from basic information retrieval to complex reaction predictions, and a dataset curation pipeline to generate the dataset ChemToolBench that facilitates both effective tool selection and precise parameter filling during fine-tuning and evaluation. We introduce a Hierarchical Evolutionary Monte Carlo Tree Search (HE-MCTS) framework, enabling independent optimization of tool planning and execution. By leveraging self-generated data, our approach supports step-level fine-tuning (FT) of the policy model and training task-adaptive PRM and ORM that surpass GPT-4o. Experimental evaluations demonstrate that our approach significantly improves performance in Chemistry QA and discovery tasks, offering a robust solution to integrate specialized tools with LLMs for advanced chemical applications. All datasets and code are available at https://github.com/AI4Chem/ChemistryAgent .
comment: 15 pages, 6 figures
♻ ☆ Improved Algorithm for Deep Active Learning under Imbalance via Optimal Separation
Class imbalance severely impacts machine learning performance on minority classes in real-world applications. While various solutions exist, active learning offers a fundamental fix by strategically collecting balanced, informative labeled examples from abundant unlabeled data. We introduce DIRECT, an algorithm that identifies class separation boundaries and selects the most uncertain nearby examples for annotation. By reducing the problem to one-dimensional active learning, DIRECT leverages established theory to handle batch labeling and label noise -- another common challenge in data annotation that particularly affects active learning methods. Our work presents the first comprehensive study of active learning under both class imbalance and label noise. Extensive experiments on imbalanced datasets show DIRECT reduces annotation costs by over 60\% compared to state-of-the-art active learning methods and over 80\% versus random sampling, while maintaining robustness to label noise.
♻ ☆ Towards Graph-Based Privacy-Preserving Federated Learning: ModelNet -- A ResNet-based Model Classification Dataset
Federated Learning (FL) has emerged as a powerful paradigm for training machine learning models across distributed data sources while preserving data locality. However, the privacy of local data is always a pivotal concern and has received a lot of attention in recent research on the FL regime. Moreover, the lack of domain heterogeneity and client-specific segregation in the benchmarks remains a critical bottleneck for rigorous evaluation. In this paper, we introduce ModelNet, a novel image classification dataset constructed from the embeddings extracted from a pre-trained ResNet50 model. First, we modify the CIFAR100 dataset into three client-specific variants, considering three domain heterogeneities (homogeneous, heterogeneous, and random). Subsequently, we train each client-specific subset of all three variants on the pre-trained ResNet50 model to save model parameters. In addition to multi-domain image data, we propose a new hypothesis to define the FL algorithm that can access the anonymized model parameters to preserve the local privacy in a more effective manner compared to existing ones. ModelNet is designed to simulate realistic FL settings by incorporating non-IID data distributions and client diversity design principles in the mainframe for both conventional and futuristic graph-driven FL algorithms. The three variants are ModelNet-S, ModelNet-D, and ModelNet-R, which are based on homogeneous, heterogeneous, and random data settings, respectively. To the best of our knowledge, we are the first to propose a cross-environment client-specific FL dataset along with the graph-based variant. Extensive experiments based on domain shifts and aggregation strategies show the effectiveness of the above variants, making it a practical benchmark for classical and graph-based FL research. The dataset and related code are available online.
comment: 8 pages, 8 figures
♻ ☆ DeepGDel: Deep Learning-based Gene Deletion Prediction Framework for Growth-Coupled Production in Genome-Scale Metabolic Models
In genome-scale constraint-based metabolic models, gene deletion strategies are crucial for achieving growth-coupled production, where cell growth and target metabolite production are simultaneously achieved. While computational methods for calculating gene deletions have been widely explored and contribute to developing gene deletion strategy databases, current approaches are limited in leveraging new data-driven paradigms, such as machine learning, for more efficient strain design. Therefore, it is necessary to propose a fundamental framework for this objective. In this study, we first formulate the problem of gene deletion strategy prediction and then propose a framework for predicting gene deletion strategies for growth-coupled production in genome-scale metabolic models. The proposed framework leverages deep learning algorithms to learn and integrate sequential gene and metabolite data representation, enabling the automatic gene deletion strategy prediction. Computational experiment results demonstrate the feasibility of the proposed framework, showing substantial improvements over baseline methods. Specifically, the proposed framework achieves a 14.69%, 22.52%, and 13.03% increase in overall accuracy across three metabolic models of different scales under study, while maintaining balanced precision and recall in predicting gene deletion statuses. The source code and examples for the framework are publicly available at https://github.com/MetNetComp/DeepGDel.
♻ ☆ IoTGeM: Generalizable Models for Behaviour-Based IoT Attack Detection
Previous research on behavior-based attack detection for networks of IoT devices has resulted in machine learning models whose ability to adapt to unseen data is limited and often not demonstrated. This paper presents IoTGeM, an approach for modeling IoT network attacks that focuses on generalizability, yet also leads to better detection and performance. We first introduce an improved rolling window approach for feature extraction. To reduce overfitting, we then apply a multi-step feature selection process where a Genetic Algorithm (GA) is uniquely guided by exogenous feedback from a separate, independent dataset. To prevent common data leaks that have limited previous models, we build and test our models using strictly isolated train and test datasets. The resulting models are rigorously evaluated using a diverse portfolio of machine learning algorithms and datasets. Our window-based models demonstrate superior generalization compared to traditional flow-based models, particularly when tested on unseen datasets. On these stringent, cross-dataset tests, IoTGeM achieves F1 scores of 99\% for ACK, HTTP, SYN, MHD, and PS attacks, as well as a 94\% F1 score for UDP attacks. Finally, we build confidence in the models by using the SHAP (SHapley Additive exPlanations) explainable AI technique, allowing us to identify the specific features that underlie the accurate detection of attacks.
comment: 32 pages (17 main, 15 supplementary appendix), 21 figures, 15 tables
♻ ☆ An energy-efficient learning solution for the Agile Earth Observation Satellite Scheduling Problem ICML
The Agile Earth Observation Satellite Scheduling Problem (AEOSSP) entails finding the subset of observation targets to be scheduled along the satellite's orbit while meeting operational constraints of time, energy and memory. The problem of deciding what and when to observe is inherently complex, and becomes even more challenging when considering several issues that compromise the quality of the captured images, such as cloud occlusion, atmospheric turbulence, and image resolution. This paper presents a Deep Reinforcement Learning (DRL) approach for addressing the AEOSSP with time-dependent profits, integrating these three factors to optimize the use of energy and memory resources. The proposed method involves a dual decision-making process: selecting the sequence of targets and determining the optimal observation time for each. Our results demonstrate that the proposed algorithm reduces the capture of images that fail to meet quality requirements by > 60% and consequently decreases energy waste from attitude maneuvers by up to 78%, all while maintaining strong observation performance.
comment: This paper has been accepted for presentation at the IEEE International Conference on Machine Learning for Communication and Networking (ICMLCN) Special Sessions 2025
♻ ☆ RsGCN: Rescaling Enhances Generalization of GCNs for Solving Scalable Traveling Salesman Problems
Neural traveling salesman problem (TSP) solvers face two critical challenges: poor generalization for scalable TSPs and high training costs. To address these challenges, we propose a new Rescaling Graph Convolutional Network (RsGCN). Focusing on the scale-dependent features (i.e., features varied with problem scales) related to nodes and edges that influence the sensitivity of GCNs to the problem scales, a Rescaling Mechanism in RsGCN enhances the generalization capability by (1) rescaling adjacent nodes to construct a subgraph with a uniform number of adjacent nodes for each node across various scales of TSPs, which stabilizes the graph message aggregation; (2) rescaling subgraph edges to adjust the lengths of subgraph edges to the same magnitude, which maintains numerical consistency. In addition, an efficient training strategy with a mixed-scale dataset and bidirectional loss is used in RsGCN. To fully exploit the heatmaps generated by RsGCN, we design an efficient post-search algorithm termed Re2Opt, in which a reconstruction process based on adaptive weight is incorporated to help avoid local optima. Based on a combined architecture of RsGCN and Re2Opt, our solver achieves remarkable generalization and low training cost: with only 3 epochs of training on the mixed-scale dataset containing instances with up to 100 nodes, it can be generalized successfully to 10K-node instances without any fine-tuning. Extensive experiments demonstrate our state-of-the-art performance across uniform distribution instances of 9 different scales from 20 to 10K nodes and 78 real-world instances from TSPLIB, while requiring the fewest learnable parameters and training epochs among neural competitors.
♻ ☆ TooBadRL: Trigger Optimization to Boost Effectiveness of Backdoor Attacks on Deep Reinforcement Learning
Deep reinforcement learning (DRL) has achieved remarkable success in a wide range of sequential decision-making domains, including robotics, healthcare, smart grids, and finance. Recent research demonstrates that attackers can efficiently exploit system vulnerabilities during the training phase to execute backdoor attacks, producing malicious actions when specific trigger patterns are present in the state observations. However, most existing backdoor attacks rely primarily on simplistic and heuristic trigger configurations, overlooking the potential efficacy of trigger optimization. To address this gap, we introduce TooBadRL (Trigger Optimization to Boost Effectiveness of Backdoor Attacks on DRL), the first framework to systematically optimize DRL backdoor triggers along three critical axes, i.e., temporal, spatial, and magnitude. Specifically, we first introduce a performance-aware adaptive freezing mechanism for injection timing. Then, we formulate dimension selection as a cooperative game, utilizing Shapley value analysis to identify the most influential state variable for the injection dimension. Furthermore, we propose a gradient-based adversarial procedure to optimize the injection magnitude under environment constraints. Evaluations on three mainstream DRL algorithms and nine benchmark tasks show that TooBadRL significantly improves attack success rates, while ensuring minimal degradation of normal task performance. These results highlight the previously underappreciated importance of principled trigger optimization in DRL backdoor attacks. The source code of TooBadRL can be found at https://github.com/S3IC-Lab/TooBadRL.
♻ ☆ Measuring Representational Shifts in Continual Learning: A Linear Transformation Perspective
In continual learning scenarios, catastrophic forgetting of previously learned tasks is a critical issue, making it essential to effectively measure such forgetting. Recently, there has been growing interest in focusing on representation forgetting, the forgetting measured at the hidden layer. In this paper, we provide the first theoretical analysis of representation forgetting and use this analysis to better understand the behavior of continual learning. First, we introduce a new metric called representation discrepancy, which measures the difference between representation spaces constructed by two snapshots of a model trained through continual learning. We demonstrate that our proposed metric serves as an effective surrogate for the representation forgetting while remaining analytically tractable. Second, through mathematical analysis of our metric, we derive several key findings about the dynamics of representation forgetting: the forgetting occurs more rapidly to a higher degree as the layer index increases, while increasing the width of the network slows down the forgetting process. Third, we support our theoretical findings through experiments on real image datasets, including Split-CIFAR100 and ImageNet1K.
♻ ☆ A Minimalist Approach to LLM Reasoning: from Rejection Sampling to Reinforce
Reinforcement learning (RL) has become a prevailing approach for fine-tuning large language models (LLMs) on complex reasoning tasks. Among recent methods, GRPO stands out for its empirical success in training models such as DeepSeek-R1, yet the sources of its effectiveness remain poorly understood. In this work, we revisit GRPO from a reinforce-like algorithm perspective and analyze its core components. Surprisingly, we find that a simple rejection sampling baseline, RAFT, which trains only on positively rewarded samples, yields competitive performance than GRPO and PPO. Our ablation studies reveal that GRPO's main advantage arises from discarding prompts with entirely incorrect responses, rather than from its reward normalization. Motivated by this insight, we propose Reinforce-Rej, a minimal extension of policy gradient that filters both entirely incorrect and entirely correct samples. Reinforce-Rej improves KL efficiency and stability, serving as a lightweight yet effective alternative to more complex RL algorithms. We advocate RAFT as a robust and interpretable baseline, and suggest that future advances should focus on more principled designs for incorporating negative samples, rather than relying on them indiscriminately. Our findings provide guidance for future work in reward-based LLM post-training.
♻ ☆ Permutation-Based Rank Test in the Presence of Discretization and Application in Causal Discovery with Mixed Data
Recent advances have shown that statistical tests for the rank of cross-covariance matrices play an important role in causal discovery. These rank tests include partial correlation tests as special cases and provide further graphical information about latent variables. Existing rank tests typically assume that all the continuous variables can be perfectly measured, and yet, in practice many variables can only be measured after discretization. For example, in psychometric studies, the continuous level of certain personality dimensions of a person can only be measured after being discretized into order-preserving options such as disagree, neutral, and agree. Motivated by this, we propose Mixed data Permutation-based Rank Test (MPRT), which properly controls the statistical errors even when some or all variables are discretized. Theoretically, we establish the exchangeability and estimate the asymptotic null distribution by permutations; as a consequence, MPRT can effectively control the Type I error in the presence of discretization while previous methods cannot. Empirically, our method is validated by extensive experiments on synthetic data and real-world data to demonstrate its effectiveness as well as applicability in causal discovery.
♻ ☆ Advanced deep architecture pruning using single filter performance
Pruning the parameters and structure of neural networks reduces the computational complexity, energy consumption, and latency during inference. Recently, a novel underlying mechanism for successful deep learning (DL) was presented based on a method that quantitatively measures the single filter performance in each layer of a DL architecture, and a new comprehensive mechanism of how deep learning works was presented. This statistical mechanics inspired viewpoint enables to reveal the macroscopic behavior of the entire network from the microscopic performance of each filter and their cooperative behavior. Herein, we demonstrate how this understanding paves the path to high quenched dilution of the convolutional layers of deep architectures without affecting their overall accuracy using applied filter cluster connections (AFCC). AFCC is exemplified on VGG-11 and EfficientNet-B0 architectures trained on CIFAR-100, and its high pruning outperforms other techniques using the same pruning magnitude. Additionally, this technique is broadened to single nodal performance and highly pruning of fully connected layers, suggesting a possible implementation to considerably reduce the complexity of over-parameterized AI tasks.
comment: 23 pages, 4 figures, A short YouTube Video describing the main results https://www.youtube.com/watch?v=IzfpNPKSFCc
♻ ☆ Dimension-Independent Kernel ε-Covers
We introduce the notion of an $\varepsilon$-cover for a kernel range space. A kernel range space concerns a set of points $X \subset \mathbb{R}^d$ and the space of all queries by a fixed kernel (e.g., a Gaussian kernel $K(p,\cdot) = \exp(-\|p-\cdot\|^2)$, where $p \in \mathbb{R}^d$). For a point set $X$ of size $n$, a query returns a vector of values $R_p \in \mathbb{R}^n$, where the $i$th coordinate $(R_p)_i = K(p,x_i)$ for $x_i \in X$. An $\varepsilon$-cover is a subset of points $Q \subset \mathbb{R}^d$ so for any $p \in \mathbb{R}^d$ that $\frac{1}{n} \|R_p - R_q\|_1\leq \varepsilon$ for some $q \in Q$. This is a smooth analog of Haussler's notion of $\varepsilon$-covers for combinatorial range spaces (e.g., defined by subsets of points within a ball query) where the resulting vectors $R_p$ are in $\{0,1\}^n$ instead of $[0,1]^n$. The kernel versions of these range spaces show up in data analysis tasks where the coordinates may be uncertain or imprecise, and hence one wishes to add some flexibility in the notion of inside and outside of a query range. Our main result is that, unlike combinatorial range spaces, the size of kernel $\varepsilon$-covers is independent of the input size $n$ and dimension $d$. We obtain a bound of $2^{\tilde O(1/\varepsilon^2)}$, where $\tilde{O}(f(1/\varepsilon))$ hides log factors in $(1/\varepsilon)$ that can depend on the kernel. This implies that by relaxing the notion of boundaries in range queries, eventually the curse of dimensionality disappears, and may help explain the success of machine learning in very high-dimensions. We also complement this result with a lower bound of almost $(1/\varepsilon)^{\Omega(1/\varepsilon)}$, showing the exponential dependence on $1/\varepsilon$ is necessary.
comment: 27 pages
♻ ☆ PhysNav-DG: A Novel Adaptive Framework for Robust VLM-Sensor Fusion in Navigation Applications CVPR
Robust navigation in diverse environments and domains requires both accurate state estimation and transparent decision making. We present PhysNav-DG, a novel framework that integrates classical sensor fusion with the semantic power of vision-language models. Our dual-branch architecture predicts navigation actions from multi-sensor inputs while simultaneously generating detailed chain-of-thought explanations. A modified Adaptive Kalman Filter dynamically adjusts its noise parameters based on environmental context. It leverages several streams of raw sensor data along with semantic insights from models such as LLaMA 3.2 11B and BLIP-2. To evaluate our approach, we introduce the MD-NEX Benchmark, a novel multi-domain dataset that unifies indoor navigation, autonomous driving, and social navigation tasks with ground-truth actions and human-validated explanations. Extensive experiments and ablations show that PhysNav-DG improves navigation success rates by over 20% and achieves high efficiency, with explanations that are both highly grounded and clear. This work connects high-level semantic reasoning and geometric planning for safer and more trustworthy autonomous systems.
comment: 9 pages, 5 figures. CVPRW 2025
♻ ☆ Enhancing Glass Defect Detection with Diffusion Models: Addressing Imbalanced Datasets in Manufacturing Quality Control
Visual defect detection in industrial glass manufacturing remains a critical challenge due to the low frequency of defective products, leading to imbalanced datasets that limit the performance of deep learning models and computer vision systems. This paper presents a novel approach using Denoising Diffusion Probabilistic Models (DDPMs) to generate synthetic defective glass product images for data augmentation, effectively addressing class imbalance issues in manufacturing quality control and automated visual inspection. The methodology significantly enhances image classification performance of standard CNN architectures (ResNet50V2, EfficientNetB0, and MobileNetV2) in detecting anomalies by increasing the minority class representation. Experimental results demonstrate substantial improvements in key machine learning metrics, particularly in recall for defective samples across all tested deep neural network architectures while maintaining perfect precision. The most dramatic improvement was observed in ResNet50V2's overall classification accuracy, which increased from seventy-eight percent to ninety-three percent when trained with the augmented data. This work provides a scalable, cost effective approach to enhancing automated defect detection in glass manufacturing that can potentially be extended to other industrial quality assurance systems and industries with similar class imbalance challenges.
comment: 12 pages, 7 figures, published in Computer and Decision Making - An International Journal (COMDEM)
♻ ☆ Decoding for Punctured Convolutional and Turbo Codes: A Deep Learning Solution for Protocols Compliance
Neural network-based decoding methods have shown promise in enhancing error correction performance, but traditional approaches struggle with the challenges posed by punctured codes. In particular, these methods fail to address the complexities of variable code rates and the need for protocol compatibility. This paper presents a unified Long Short-Term Memory (LSTM)-based decoding architecture specifically designed to overcome these challenges. The proposed method unifies punctured convolutional and Turbo codes. A puncture embedding mechanism integrates puncturing patterns directly into the network, enabling seamless adaptation to varying code rates, while balanced bit error rate training ensures robustness across different code lengths, rates, and channels, maintaining protocol flexibility. Extensive simulations in Additive White Gaussian Noise and Rayleigh fading channels demonstrate that the proposed approach outperforms conventional decoding techniques, providing significant improvements in decoding accuracy and robustness. These results underscore the potential of LSTM-based decoding as a promising solution for next-generation artificial intelligence powered communication systems.
♻ ☆ Multi-Modal Multi-Task Federated Foundation Models for Next-Generation Extended Reality Systems: Towards Privacy-Preserving Distributed Intelligence in AR/VR/MR
Extended reality (XR) systems, which consist of virtual reality (VR), augmented reality (AR), and mixed reality (XR), offer a transformative interface for immersive, multi-modal, and embodied human-computer interaction. In this paper, we envision that multi-modal multi-task (M3T) federated foundation models (FedFMs) can offer transformative capabilities for XR systems through integrating the representational strength of M3T foundation models (FMs) with the privacy-preserving model training principles of federated learning (FL). We present a modular architecture for FedFMs, which entails different coordination paradigms for model training and aggregations. Central to our vision is the codification of XR challenges that affect the implementation of FedFMs under the SHIFT dimensions: (1) Sensor and modality diversity, (2) Hardware heterogeneity and system-level constraints, (3) Interactivity and embodied personalization, (4) Functional/task variability, and (5) Temporality and environmental variability. We illustrate the manifestation of these dimensions across a set of emerging and anticipated applications of XR systems. Finally, we propose evaluation metrics, dataset requirements, and design tradeoffs necessary for the development of resource-aware FedFMs in XR. This perspective aims to chart the technical and conceptual foundations for context-aware privacy-preserving intelligence in the next generation of XR systems.
comment: 16 pages, 4 Figures, 8 Tables
♻ ☆ On-the-Fly Adaptive Distillation of Transformer to Dual-State Linear Attention
Large language models (LLMs) excel at capturing global token dependencies via self-attention but face prohibitive compute and memory costs on lengthy inputs. While sub-quadratic methods (e.g., linear attention) can reduce these costs, they often degrade accuracy due to overemphasizing recent tokens. In this work, we first propose dual-state linear attention (DSLA), a novel design that maintains two specialized hidden states-one for preserving historical context and one for tracking recency-thereby mitigating the short-range bias typical of linear-attention architectures. To further balance efficiency and accuracy under dynamic workload conditions, we introduce DSLA-Serve, an online adaptive distillation framework that progressively replaces Transformer layers with DSLA layers at inference time, guided by a sensitivity-based layer ordering. DSLA-Serve uses a chained fine-tuning strategy to ensure that each newly converted DSLA layer remains consistent with previously replaced layers, preserving the overall quality. Extensive evaluations on commonsense reasoning, long-context QA, and text summarization demonstrate that DSLA-Serve yields 2.3x faster inference than Llama2-7B and 3.0x faster than the hybrid Zamba-7B, while retaining comparable performance across downstream tasks. Our ablation studies show that DSLA's dual states capture both global and local dependencies, addressing the historical-token underrepresentation seen in prior linear attentions. Codes are available at https://github.com/utnslab/DSLA-Serve.
♻ ☆ Amulet: ReAlignment During Test Time for Personalized Preference Adaptation of LLMs ICLR 2025
How to align large language models (LLMs) with user preferences from a static general dataset has been frequently studied. However, user preferences are usually personalized, changing, and diverse regarding culture, values, or time. This leads to the problem that the actual user preferences often do not coincide with those trained by the model developers in the practical use of LLMs. Since we cannot collect enough data and retrain for every demand, researching efficient real-time preference adaptation methods based on the backbone LLMs during test time is important. To this end, we introduce Amulet, a novel, training-free framework that formulates the decoding process of every token as a separate online learning problem with the guidance of simple user-provided prompts, thus enabling real-time optimization to satisfy users' personalized preferences. To reduce the computational cost brought by this optimization process for each token, we additionally provide a closed-form solution for each iteration step of the optimization process, thereby reducing the computational time cost to a negligible level. The detailed experimental results demonstrate that Amulet can achieve significant performance improvements in rich settings with combinations of different LLMs, datasets, and user preferences, while maintaining acceptable computational efficiency.
comment: Accepted by ICLR 2025, Project page: https://zowiezhang.github.io/projects/Amulet
♻ ☆ CompilerDream: Learning a Compiler World Model for General Code Optimization KDD 2025
Effective code optimization in compilers is crucial for computer and software engineering. The success of these optimizations primarily depends on the selection and ordering of the optimization passes applied to the code. While most compilers rely on a fixed sequence of optimization passes, current methods to find the optimal sequence either employ impractically slow search algorithms or learning methods that struggle to generalize to code unseen during training. We introduce CompilerDream, a model-based reinforcement learning approach to general code optimization. CompilerDream comprises a compiler world model that accurately simulates the intrinsic properties of optimization passes and an agent trained on this model to produce effective optimization strategies. By training on a large-scale program dataset, CompilerDream is equipped to serve as a general code optimizer across various application scenarios and source-code languages. Our extensive experiments first highlight CompilerDream's strong optimization capabilities for autotuning, where it leads the CompilerGym leaderboard. More importantly, the zero-shot generalization ability of large-scale trained compiler world model and agent, excels across diverse datasets, surpassing LLVM's built-in optimizations and other state-of-the-art methods in both settings of value prediction and end-to-end code optimization.
comment: KDD 2025 camera-ready version with extended appendix. Code is available at https://github.com/thuml/CompilerDream
♻ ☆ DiffUMI: Training-Free Universal Model Inversion via Unconditional Diffusion for Face Recognition
Face recognition technology presents serious privacy risks due to its reliance on sensitive and immutable biometric data. To address these concerns, such systems typically convert raw facial images into embeddings, which are traditionally viewed as privacy-preserving. However, model inversion attacks challenge this assumption by reconstructing private facial images from embeddings, highlighting a critical vulnerability in face recognition systems. Most existing inversion methods require training a separate generator for each target model, making them computationally intensive. In this work, we introduce DiffUMI, a diffusion-based universal model inversion attack that requires no additional training. DiffUMI is the first approach to successfully leverage unconditional face generation without relying on model-specific generators. It surpasses state-of-the-art attacks by 15.5% and 9.82% in success rate on standard and privacy-preserving face recognition systems, respectively. Furthermore, we propose a novel use of out-of-domain detection (OODD), demonstrating for the first time that model inversion can differentiate between facial and non-facial embeddings using only the embedding space.
♻ ☆ DeePoly: A High-Order Accuracy Scientific Machine Learning Framework for Function Approximation and Solving PDE
Recently, machine learning methods have gained significant traction in scientific computing, particularly for solving Partial Differential Equations (PDEs). However, methods based on deep neural networks (DNNs) often lack convergence guarantees and computational efficiency compared to traditional numerical schemes. This work introduces DeePoly, a novel framework that transforms the solution paradigm from pure non-convex parameter optimization to a two-stage approach: first employing a DNN to capture complex global features, followed by linear space optimization with combined DNN-extracted features (Scoper) and polynomial basis functions (Sniper). This strategic combination leverages the complementary strengths of both methods -- DNNs excel at approximating complex global features (i.e., high-gradient features) and stabilize the polynomial approximation while polynomial bases provide high-precision local corrections with convergence guarantees. Theoretical analysis and numerical experiments demonstrate that this approach significantly enhances both high-order accuracy and efficiency across diverse problem types while maintaining mesh-free and scheme-free properties. This paper also serves as a theoretical exposition for the open-source project DeePoly.
comment: for associated mpeg file, see http://github.com/bfly123/DeePoly
♻ ☆ Policy-Based Trajectory Clustering in Offline Reinforcement Learning
We introduce a novel task of clustering trajectories from offline reinforcement learning (RL) datasets, where each cluster center represents the policy that generated its trajectories. By leveraging the connection between the KL-divergence of offline trajectory distributions and a mixture of policy-induced distributions, we formulate a natural clustering objective. To solve this, we propose Policy-Guided K-means (PG-Kmeans) and Centroid-Attracted Autoencoder (CAAE). PG-Kmeans iteratively trains behavior cloning (BC) policies and assigns trajectories based on policy generation probabilities, while CAAE resembles the VQ-VAE framework by guiding the latent representations of trajectories toward the vicinity of specific codebook entries to achieve clustering. Theoretically, we prove the finite-step convergence of PG-Kmeans and identify a key challenge in offline trajectory clustering: the inherent ambiguity of optimal solutions due to policy-induced conflicts, which can result in multiple equally valid but structurally distinct clusterings. Experimentally, we validate our methods on the widely used D4RL dataset and custom GridWorld environments. Our results show that both PG-Kmeans and CAAE effectively partition trajectories into meaningful clusters. They offer a promising framework for policy-based trajectory clustering, with broad applications in offline RL and beyond.
♻ ☆ PerfTracker: Online Performance Troubleshooting for Large-scale Model Training in Production
Troubleshooting performance problems of large model training (LMT) is immensely challenging, due to unprecedented scales of modern GPU clusters, the complexity of software-hardware interactions, and the data intensity of the training process. Existing troubleshooting approaches designed for traditional distributed systems or datacenter networks fall short and can hardly apply to real-world training systems. In this paper, we present PerfTracker, the first online troubleshooting system utilizing fine-grained profiling, to diagnose performance issues of large-scale model training in production. PerfTracker can diagnose performance issues rooted in both hardware (e.g., GPUs and their interconnects) and software (e.g., Python functions and GPU operations). It scales to LMT on modern GPU clusters. PerfTracker effectively summarizes runtime behavior patterns of fine-grained LMT functions via online profiling, and leverages differential observability to localize the root cause with minimal production impact. PerfTracker has been deployed as a production service for large-scale GPU clusters of O(10, 000) GPUs (product homepage https://help.aliyun.com/zh/pai/user-guide/perftracker-online-performance-analysis-diagnostic-tool). It has been used to diagnose a variety of difficult performance issues.
♻ ☆ Upweighting Easy Samples in Fine-Tuning Mitigates Forgetting
Fine-tuning a pre-trained model on a downstream task often degrades its original capabilities, a phenomenon known as "catastrophic forgetting". This is especially an issue when one does not have access to the data and recipe used to develop the pre-trained model. Under this constraint, most existing methods for mitigating forgetting are inapplicable. To address this challenge, we propose a sample weighting scheme for the fine-tuning data solely based on the pre-trained model's losses. Specifically, we upweight the easy samples on which the pre-trained model's loss is low and vice versa to limit the drift from the pre-trained model. Our approach is orthogonal and yet complementary to existing methods; while such methods mostly operate on parameter or gradient space, we concentrate on the sample space. We theoretically analyze the impact of fine-tuning with our method in a linear setting, showing that it stalls learning in a certain subspace which inhibits overfitting to the target task. We empirically demonstrate the efficacy of our method on both language and vision tasks. As an example, when fine-tuning Gemma 2 2B on MetaMathQA, our method results in only a $0.8\%$ drop in accuracy on GSM8K (another math dataset) compared to standard fine-tuning, while preserving $5.4\%$ more accuracy on the pre-training datasets. Our code is publicly available at https://github.com/sanyalsunny111/FLOW_finetuning .
comment: 36 pages, 4 figures, 12 tables. Code available at https://github.com/sanyalsunny111/FLOW_finetuning
♻ ☆ Agnostic Smoothed Online Learning without Knowledge of the Base Measure
Classical results in statistical learning typically consider two extreme data-generating models: i.i.d. instances from an unknown distribution, or fully adversarial instances, often much more challenging statistically. To bridge the gap between these models, recent work introduced the smoothed framework, in which at each iteration an adversary generates instances from a distribution constrained to have density bounded by $\sigma^{-1}$ compared to some fixed base measure $\mu$. This framework interpolates between the i.i.d. and adversarial cases, depending on the value of $\sigma$. For the classical online prediction problem, most prior results in smoothed online learning rely on the arguably strong assumption that the base measure $\mu$ is known to the learner, contrasting with standard settings in the PAC learning or consistency literature. We consider the general agnostic problem in which the base measure is unknown and values are arbitrary. Along this direction, Block et al. showed that empirical risk minimization has sublinear regret under the well-specified assumption. We propose an algorithm R-Cover based on recursive coverings which is the first to guarantee sublinear regret for agnostic smoothed online learning without prior knowledge of $\mu$. For classification, we prove that R-Cover has adaptive regret $\tilde O(\sqrt{dT/\sigma})$ for function classes with VC dimension $d$, which is optimal up to logarithmic factors. For regression, we establish that R-Cover has sublinear oblivious regret for function classes with polynomial fat-shattering dimension growth.
♻ ☆ Compelling ReLU Networks to Exhibit Exponentially Many Linear Regions at Initialization and During Training ICML 2025
In a neural network with ReLU activations, the number of piecewise linear regions in the output can grow exponentially with depth. However, this is highly unlikely to happen when the initial parameters are sampled randomly, which therefore often leads to the use of networks that are unnecessarily large. To address this problem, we introduce a novel parameterization of the network that restricts its weights so that a depth $d$ network produces exactly $2^d$ linear regions at initialization and maintains those regions throughout training under the parameterization. This approach allows us to learn approximations of convex, one dimensional functions that are several orders of magnitude more accurate than their randomly initialized counterparts. We further demonstrate a preliminary extension of our construction to multidimensional and non-convex functions, allowing the technique to replace traditional dense layers in various architectures.
comment: 24 pages, 17 figures, Poster at ICML 2025
♻ ☆ Heterogeneous Multi-Agent Reinforcement Learning for Distributed Channel Access in WLANs
This paper investigates the use of multi-agent reinforcement learning (MARL) to address distributed channel access in wireless local area networks. In particular, we consider the challenging yet more practical case where the agents heterogeneously adopt value-based or policy-based reinforcement learning algorithms to train the model. We propose a heterogeneous MARL training framework, named QPMIX, which adopts a centralized training with distributed execution paradigm to enable heterogeneous agents to collaborate. Moreover, we theoretically prove the convergence of the proposed heterogeneous MARL method when using the linear value function approximation. Our method maximizes the network throughput and ensures fairness among stations, therefore, enhancing the overall network performance. Simulation results demonstrate that the proposed QPMIX algorithm improves throughput, mean delay, delay jitter, and collision rates compared with conventional carrier-sense multiple access with collision avoidance (CSMA/CA) mechanism in the saturated traffic scenario. Furthermore, the QPMIX algorithm is robust in unsaturated and delay-sensitive traffic scenarios. It coexists well with the conventional CSMA/CA mechanism and promotes cooperation among heterogeneous agents.
♻ ☆ Context Is Not Comprehension
The dominant way of judging Large Language Models (LLMs) has been to ask how well they can recall explicit facts from very long inputs. While today's best models achieve near perfect recall, this masks a harder skill: performing multi-step reasoning and tracking intermediate state that never appears verbatim. We introduce Verbose ListOps (VLO), a benchmark that embeds deterministic ListOps computations inside narrative camouflage and, crucially, allows step-level evaluation of every intermediate result. Experiments show that models which solve raw ListOps with approximately 100% accuracy collapse on VLO after only 10,000 tokens. By exposing where a model's reasoning chain first diverges, VLO moves assessment beyond sheer context length and toward genuine comprehension. VLO's generation pipeline is task-agnostic: it can weave any deterministically verifiable reasoning schema -- arithmetic, symbolic, abductive, inductive or defeasible -- into narrative form. This makes VLO a reusable test-bed for the next wave of reasoning-centric model designs, not merely those with step-explicit scaffolds.
comment: 24 pages, 2 figures, 4 tables; under review
♻ ☆ Noise Balance and Stationary Distribution of Stochastic Gradient Descent
The stochastic gradient descent (SGD) algorithm is the algorithm we use to train neural networks. However, it remains poorly understood how the SGD navigates the highly nonlinear and degenerate loss landscape of a neural network. In this work, we show that the minibatch noise of SGD regularizes the solution towards a noise-balanced solution whenever the loss function contains a rescaling parameter symmetry. Because the difference between a simple diffusion process and SGD dynamics is the most significant when symmetries are present, our theory implies that the loss function symmetries constitute an essential probe of how SGD works. We then apply this result to derive the stationary distribution of stochastic gradient flow for a diagonal linear network with arbitrary depth and width. The stationary distribution exhibits complicated nonlinear phenomena such as phase transitions, broken ergodicity, and fluctuation inversion. These phenomena are shown to exist uniquely in deep networks, implying a fundamental difference between deep and shallow models.
comment: Preprint
♻ ☆ Lightweight Dataset Pruning without Full Training via Example Difficulty and Prediction Uncertainty
Recent advances in deep learning rely heavily on massive datasets, leading to substantial storage and training costs. Dataset pruning aims to alleviate this demand by discarding redundant examples. However, many existing methods require training a model with a full dataset over a large number of epochs before being able to prune the dataset, which ironically makes the pruning process more expensive than just training the model on the entire dataset. To overcome this limitation, we introduce a Difficulty and Uncertainty-Aware Lightweight (DUAL) score, which aims to identify important samples from the early training stage by considering both example difficulty and prediction uncertainty. To address a catastrophic accuracy drop at an extreme pruning, we further propose a ratio-adaptive sampling using Beta distribution. Experiments on various datasets and learning scenarios such as image classification with label noise and image corruption, and model architecture generalization demonstrate the superiority of our method over previous state-of-the-art (SOTA) approaches. Specifically, on ImageNet-1k, our method reduces the time cost for pruning to 66% compared to previous methods while achieving a SOTA, specifically 60% test accuracy at a 90% pruning ratio. On CIFAR datasets, the time cost is reduced to just 15% while maintaining SOTA performance.
♻ ☆ TimeBridge: Better Diffusion Prior Design with Bridge Models for Time Series Generation
Time series generation is widely used in real-world applications such as simulation, data augmentation, and hypothesis testing. Recently, diffusion models have emerged as the de facto approach to time series generation, enabling diverse synthesis scenarios. However, the fixed standard-Gaussian diffusion prior may be ill-suited for general time series data, such as temporal order and fixed points. In this paper, we propose TimeBridge, a framework that flexibly synthesizes time series data by using diffusion bridges to learn paths between a chosen prior and the data distribution. We then explore several prior designs tailored to time series synthesis. Our framework covers (i) data- and time-dependent priors for unconditional generation and (ii) scale-preserving priors for conditional generation. Experiments show that our framework with data-driven priors outperforms standard diffusion models on time series generation.
♻ ☆ GD doesn't make the cut: Three ways that non-differentiability affects neural network training
This paper critically examines the fundamental distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) for differentiable functions, revealing significant gaps in current deep learning optimization theory. We demonstrate that NGDMs exhibit markedly different convergence properties compared to GDs, strongly challenging the applicability of extensive neural network convergence literature based on $L-smoothness$ to non-smooth neural networks. Our analysis reveals paradoxical behavior of NDGM solutions for $L_{1}$-regularized problems, where increasing regularization counterintuitively leads to larger $L_{1}$ norms of optimal solutions. This finding calls into question widely adopted $L_{1}$ penalization techniques for network pruning. We further challenge the common assumption that optimization algorithms like RMSProp behave similarly in differentiable and non-differentiable contexts. Expanding on the Edge of Stability phenomenon, we demonstrate its occurrence in a broader class of functions, including Lipschitz continuous convex differentiable functions. This finding raises important questions about its relevance and interpretation in non-convex, non-differentiable neural networks, particularly those using ReLU activations. Our work identifies critical misunderstandings of NDGMs in influential literature, stemming from an overreliance on strong smoothness assumptions. These findings necessitate a reevaluation of optimization dynamics in deep learning, emphasizing the crucial need for more nuanced theoretical foundations in analyzing these complex systems.
comment: Crisper proof
♻ ☆ Heavy-Tailed Linear Bandits: Huber Regression with One-Pass Update ICML 2025
We study the stochastic linear bandits with heavy-tailed noise. Two principled strategies for handling heavy-tailed noise, truncation and median-of-means, have been introduced to heavy-tailed bandits. Nonetheless, these methods rely on specific noise assumptions or bandit structures, limiting their applicability to general settings. The recent work [Huang et al.2024] develops a soft truncation method via the adaptive Huber regression to address these limitations. However, their method suffers undesired computational costs: it requires storing all historical data and performing a full pass over these data at each round. In this paper, we propose a \emph{one-pass} algorithm based on the online mirror descent framework. Our method updates using only current data at each round, reducing the per-round computational cost from $\mathcal{O}(t \log T)$ to $\mathcal{O}(1)$ with respect to current round $t$ and the time horizon $T$, and achieves a near-optimal and variance-aware regret of order $\widetilde{\mathcal{O}}\big(d T^{\frac{1-\epsilon}{2(1+\epsilon)}} \sqrt{\sum_{t=1}^T \nu_t^2} + d T^{\frac{1-\epsilon}{2(1+\epsilon)}}\big)$ where $d$ is the dimension and $\nu_t^{1+\epsilon}$ is the $(1+\epsilon)$-th central moment of reward at round $t$.
comment: ICML 2025
♻ ☆ Elucidating the Design Space of Multimodal Protein Language Models ICML 2025
Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models. Project page and code: https://bytedance.github.io/dplm/dplm-2.1/.
comment: ICML 2025 Spotlight; Project Page: https://bytedance.github.io/dplm/dplm-2.1/
♻ ☆ OmniSage: Large Scale, Multi-Entity Heterogeneous Graph Representation Learning KDD 2025
Representation learning, a task of learning latent vectors to represent entities, is a key task in improving search and recommender systems in web applications. Various representation learning methods have been developed, including graph-based approaches for relationships among entities, sequence-based methods for capturing the temporal evolution of user activities, and content-based models for leveraging text and visual content. However, the development of a unifying framework that integrates these diverse techniques to support multiple applications remains a significant challenge. This paper presents OmniSage, a large-scale representation framework that learns universal representations for a variety of applications at Pinterest. OmniSage integrates graph neural networks with content-based models and user sequence models by employing multiple contrastive learning tasks to effectively process graph data, user sequence data, and content signals. To support the training and inference of OmniSage, we developed an efficient infrastructure capable of supporting Pinterest graphs with billions of nodes. The universal representations generated by OmniSage have significantly enhanced user experiences on Pinterest, leading to an approximate 2.5% increase in sitewide repins (saves) across five applications. This paper highlights the impact of unifying representation learning methods, and we make the model code publicly available at https://github.com/pinterest/atg-research/tree/main/omnisage.
comment: To appear in Proceedings of KDD 2025 Industry Track
♻ ☆ Qronos: Correcting the Past by Shaping the Future... in Post-Training Quantization
We introduce Qronos -- a new state-of-the-art post-training quantization algorithm that sequentially rounds and updates neural network weights. Qronos not only explicitly corrects errors due to both weight and activation quantization, but also errors resulting from quantizing previous layers. Our iterative algorithm is based on an interpretable and disciplined optimization framework that subsumes and surpasses existing data-driven approaches. At each step, Qronos alternates between error correction and diffusion via optimal update rules. Importantly, we prove that Qronos admits an efficient implementation that uses the Cholesky decomposition for solving least-squares problems. We also demonstrate that Qronos is compatible with existing transformation techniques such as Hadamard-based incoherence processing and weight-activation scaling equalization, among others. We evaluate Qronos using recent autoregressive language generation models in the Llama3 family; Qronos consistently outperforms previous state-of-the-art adaptive rounding methods when quantizing the weights, activations, and/or KV caches.
♻ ☆ Adaptive Discretization against an Adversary: Lipschitz bandits, Dynamic Pricing, and Auction Tuning
Lipschitz bandits is a prominent version of multi-armed bandits that studies large, structured action spaces such as the $[0,1]$ interval, where similar actions are guaranteed to have similar rewards. A central theme here is the adaptive discretization of the action space, which gradually ``zooms in'' on the more promising regions thereof. The goal is to take advantage of ``nicer'' problem instances, while retaining near-optimal worst-case performance. While the stochastic version of the problem is well-understood, the general version with adversarial rewards is not. We provide the first algorithm (\emph{Adversarial Zooming}) for adaptive discretization in the adversarial version, and derive instance-dependent regret bounds. In particular, we recover the worst-case optimal regret bound for the adversarial version, and the instance-dependent regret bound for the stochastic version. We apply our algorithm to several fundamental applications -- including dynamic pricing and auction reserve tuning -- all under adversarial reward models. While these domains often violate Lipschitzness, our analysis only requires a weaker version thereof, allowing for meaningful regret bounds without additional smoothness assumptions. Notably, we extend our results to multi-product dynamic pricing with non-smooth reward structures, a setting which does not even satisfy one-sided Lipschitzness.
comment: A short version of this paper, titled "Adaptive Discretization for Adversarial Lipschitz Bandits", was published in COLT21 (34th Conf. on Learning Theory). The conference version does not include applications to dynamic pricing and auction tuning, and omits detailed proofs (i.e., all appendices)
♻ ☆ Evaluating Sample Utility for Efficient Data Selection by Mimicking Model Weights ICML
Multimodal models are trained on large-scale web-crawled datasets, which often contain noise, bias, and irrelevant information. This motivates the use of data selection techniques, which can be divided into model-free variants, relying on heuristic rules and downstream datasets, and model-based approaches, such as those using influence functions. The former can be expensive to design and risks introducing unwanted dataset dependencies, while the latter are often computationally prohibitive. In this work, we propose an efficient, model-based approach using the Mimic Score, a new data-quality metric that leverages the weights of a reference model to assess the usefulness of individual samples for training a new model. Our method relies on measuring alignments between training gradients and a target direction induced by this reference model. Building on the derived mimic scores, we develop Grad-Mimic: a framework that prioritizes samples to learn, estimates overall sample utility, and creates effective filters. Empirically, using mimic scores to guide training improves data efficiency, accelerates convergence, yields consistent performance gains across six image datasets, and enhances CLIP models with 20.7% fewer training steps. Moreover, mimic score-based filters complement existing filtering methods, e.g., training improved CLIP models with 4.7 million fewer samples while offering accurate estimation of dataset quality.
comment: ICML DataWorld Workshop 2025 Oral Paper
♻ ☆ Diffuse Everything: Multimodal Diffusion Models on Arbitrary State Spaces ICML 2025
Diffusion models have demonstrated remarkable performance in generating unimodal data across various tasks, including image, video, and text generation. On the contrary, the joint generation of multimodal data through diffusion models is still in the early stages of exploration. Existing approaches heavily rely on external preprocessing protocols, such as tokenizers and variational autoencoders, to harmonize varied data representations into a unified, unimodal format. This process heavily demands the high accuracy of encoders and decoders, which can be problematic for applications with limited data. To lift this restriction, we propose a novel framework for building multimodal diffusion models on arbitrary state spaces, enabling native generation of coupled data across different modalities. By introducing an innovative decoupled noise schedule for each modality, we enable both unconditional and modality-conditioned generation within a single model simultaneously. We empirically validate our approach for text-image generation and mixed-type tabular data synthesis, demonstrating that it achieves competitive performance.
comment: Accepted to ICML 2025. Code available at https://github.com/KevinRojas1499/Diffuse-Everything
♻ ☆ Conformal Inference under High-Dimensional Covariate Shifts via Likelihood-Ratio Regularization
We consider the problem of conformal prediction under covariate shift. Given labeled data from a source domain and unlabeled data from a covariate shifted target domain, we seek to construct prediction sets with valid marginal coverage in the target domain. Most existing methods require estimating the unknown likelihood ratio function, which can be prohibitive for high-dimensional data such as images. To address this challenge, we introduce the likelihood ratio regularized quantile regression (LR-QR) algorithm, which combines the pinball loss with a novel choice of regularization in order to construct a threshold function without directly estimating the unknown likelihood ratio. We show that the LR-QR method has coverage at the desired level in the target domain, up to a small error term that we can control. Our proofs draw on a novel analysis of coverage via stability bounds from learning theory. Our experiments demonstrate that the LR-QR algorithm outperforms existing methods on high-dimensional prediction tasks, including a regression task for the Communities and Crime dataset, an image classification task from the WILDS repository, and an LLM question-answering task on the MMLU benchmark.
♻ ☆ VeriLeaky: Navigating IP Protection vs Utility in Fine-Tuning for LLM-Driven Verilog Coding
Large language models (LLMs) offer significant potential for coding, yet fine-tuning (FT) with curated data is essential for niche languages like Verilog. Using proprietary intellectual property (IP) for FT presents a serious risk, as FT data can be leaked through LLM inference. This leads to a critical dilemma for design houses: seeking to build externally accessible LLMs offering competitive Verilog coding, how can they leverage in-house IP to enhance FT utility while ensuring IP protection? For the first time in the literature, we study this dilemma. Using LLaMA 3.1-8B, we conduct in-house FT on a baseline Verilog dataset (RTLCoder) supplemented with our own in-house IP, which is validated through multiple tape-outs. To rigorously assess IP leakage, we quantify structural similarity (AST/Dolos) and functional equivalence (Synopsys Formality) between generated codes and our in-house IP. We show that our IP can indeed be leaked, confirming the threat. As defense, we evaluate logic locking of Verilog codes (ASSURE). This offers some level of protection, yet reduces the IP's utility for FT and degrades the LLM's performance. Our study shows the need for novel strategies that are both effective and minimally disruptive to FT, an essential effort for enabling design houses to fully utilize their proprietary IP toward LLM-driven Verilog coding.
♻ ☆ NOBLE -- Neural Operator with Biologically-informed Latent Embeddings to Capture Experimental Variability in Biological Neuron Models
Characterizing the diverse computational properties of human neurons via multimodal electrophysiological, transcriptomic, and morphological data provides the foundation for constructing and validating bio-realistic neuron models that can advance our understanding of fundamental mechanisms underlying brain function. However, current modeling approaches remain constrained by the limited availability and intrinsic variability of experimental neuronal data. To capture variability, ensembles of deterministic models are often used, but are difficult to scale as model generation requires repeating computationally expensive optimization for each neuron. While deep learning is becoming increasingly relevant in this space, it fails to capture the full biophysical complexity of neurons, their nonlinear voltage dynamics, and variability. To address these shortcomings, we introduce NOBLE, a neural operator framework that learns a mapping from a continuous frequency-modulated embedding of interpretable neuron features to the somatic voltage response induced by current injection. Trained on data generated from biophysically realistic neuron models, NOBLE predicts distributions of neural dynamics accounting for the intrinsic experimental variability. Unlike conventional bio-realistic neuron models, interpolating within the embedding space offers models whose dynamics are consistent with experimentally observed responses. NOBLE is the first scaled-up deep learning framework validated on real experimental data, enabling efficient generation of synthetic neurons that exhibit trial-to-trial variability and achieve a $4200\times$ speedup over numerical solvers. To this end, NOBLE captures fundamental neural properties, opening the door to a better understanding of cellular composition and computations, neuromorphic architectures, large-scale brain circuits, and general neuroAI applications.
♻ ☆ On the Stability of Graph Convolutional Neural Networks: A Probabilistic Perspective
Graph convolutional neural networks (GCNNs) have emerged as powerful tools for analyzing graph-structured data, achieving remarkable success across diverse applications. However, the theoretical understanding of the stability of these models, i.e., their sensitivity to small changes in the graph structure, remains in rather limited settings, hampering the development and deployment of robust and trustworthy models in practice. To fill this gap, we study how perturbations in the graph topology affect GCNN outputs and propose a novel formulation for analyzing model stability. Unlike prior studies that focus only on worst-case perturbations, our distribution-aware formulation characterizes output perturbations across a broad range of input data. This way, our framework enables, for the first time, a probabilistic perspective on the interplay between the statistical properties of the node data and perturbations in the graph topology. We conduct extensive experiments to validate our theoretical findings and demonstrate their benefits over existing baselines, in terms of both representation stability and adversarial attacks on downstream tasks. Our results demonstrate the practical significance of the proposed formulation and highlight the importance of incorporating data distribution into stability analysis.
♻ ☆ Capturing Temporal Dynamics in Large-Scale Canopy Tree Height Estimation ICML
With the rise in global greenhouse gas emissions, accurate large-scale tree canopy height maps are essential for understanding forest structure, estimating above-ground biomass, and monitoring ecological disruptions. To this end, we present a novel approach to generate large-scale, high-resolution canopy height maps over time. Our model accurately predicts canopy height over multiple years given Sentinel-1 composite and Sentinel~2 time series satellite data. Using GEDI LiDAR data as the ground truth for training the model, we present the first 10m resolution temporal canopy height map of the European continent for the period 2019-2022. As part of this product, we also offer a detailed canopy height map for 2020, providing more precise estimates than previous studies. Our pipeline and the resulting temporal height map are publicly available, enabling comprehensive large-scale monitoring of forests and, hence, facilitating future research and ecological analyses.
comment: ICML Camera-Ready, 9 pages main paper, 8 pages references and appendix, 9 figures, 8 tables
♻ ☆ Modality-Order Matters! A Novel Hierarchical Feature Fusion Method for CoSAm: A Code-Switched Autism Corpus
Autism Spectrum Disorder (ASD) is a complex neuro-developmental challenge, presenting a spectrum of difficulties in social interaction, communication, and the expression of repetitive behaviors in different situations. This increasing prevalence underscores the importance of ASD as a major public health concern and the need for comprehensive research initiatives to advance our understanding of the disorder and its early detection methods. This study introduces a novel hierarchical feature fusion method aimed at enhancing the early detection of ASD in children through the analysis of code-switched speech (English and Hindi). Employing advanced audio processing techniques, the research integrates acoustic, paralinguistic, and linguistic information using Transformer Encoders. This innovative fusion strategy is designed to improve classification robustness and accuracy, crucial for early and precise ASD identification. The methodology involves collecting a code-switched speech corpus, CoSAm, from children diagnosed with ASD and a matched control group. The dataset comprises 61 voice recordings from 30 children diagnosed with ASD and 31 from neurotypical children, aged between 3 and 13 years, resulting in a total of 159.75 minutes of voice recordings. The feature analysis focuses on MFCCs and extensive statistical attributes to capture speech pattern variability and complexity. The best model performance is achieved using a hierarchical fusion technique with an accuracy of 98.75% using a combination of acoustic and linguistic features first, followed by paralinguistic features in a hierarchical manner.
comment: We are withdrawing this paper as the current version requires substantial changes to the experimental design and analysis in Sections 4 and 5. These changes go beyond a minor revision, and there is no replacement version available at this time. A thoroughly revised version may be submitted as a new paper in the future
♻ ☆ Federated Learning Nodes Can Reconstruct Peers' Image Data
Federated learning (FL) is a privacy-preserving machine learning framework that enables multiple nodes to train models on their local data and periodically average weight updates to benefit from other nodes' training. Each node's goal is to collaborate with other nodes to improve the model's performance while keeping its training data private. However, this framework does not guarantee data privacy. Prior work has shown that the gradient-sharing steps in FL can be vulnerable to data reconstruction attacks from an honest-but-curious central server. In this work, we show that an honest-but-curious node/client can also launch attacks to reconstruct peers' image data through gradient inversion, presenting a severe privacy risk. We demonstrate that a single client can silently reconstruct other clients' private images using diluted information available within consecutive updates. We leverage state-of-the-art diffusion models to enhance the perceptual quality and recognizability of the reconstructed images, further demonstrating the risk of information leakage at a semantic level. This highlights the need for more robust privacy-preserving mechanisms that protect against silent client-side attacks during federated training.
comment: 12 pages including references, 12 figures
♻ ☆ NTK-DFL: Enhancing Decentralized Federated Learning in Heterogeneous Settings via Neural Tangent Kernel
Decentralized federated learning (DFL) is a collaborative machine learning framework for training a model across participants without a central server or raw data exchange. DFL faces challenges due to statistical heterogeneity, as participants often possess data of different distributions reflecting local environments and user behaviors. Recent work has shown that the neural tangent kernel (NTK) approach, when applied to federated learning in a centralized framework, can lead to improved performance. We propose an approach leveraging the NTK to train client models in the decentralized setting, while introducing a synergy between NTK-based evolution and model averaging. This synergy exploits inter-client model deviation and improves both accuracy and convergence in heterogeneous settings. Empirical results demonstrate that our approach consistently achieves higher accuracy than baselines in highly heterogeneous settings, where other approaches often underperform. Additionally, it reaches target performance in 4.6 times fewer communication rounds. We validate our approach across multiple datasets, network topologies, and heterogeneity settings to ensure robustness and generalization.
♻ ☆ Ad Auctions for LLMs via Retrieval Augmented Generation NeurIPS 2024
In the field of computational advertising, the integration of ads into the outputs of large language models (LLMs) presents an opportunity to support these services without compromising content integrity. This paper introduces novel auction mechanisms for ad allocation and pricing within the textual outputs of LLMs, leveraging retrieval-augmented generation (RAG). We propose a segment auction where an ad is probabilistically retrieved for each discourse segment (paragraph, section, or entire output) according to its bid and relevance, following the RAG framework, and priced according to competing bids. We show that our auction maximizes logarithmic social welfare, a new notion of welfare that balances allocation efficiency and fairness, and we characterize the associated incentive-compatible pricing rule. These results are extended to multi-ad allocation per segment. An empirical evaluation validates the feasibility and effectiveness of our approach over several ad auction scenarios, and exhibits inherent tradeoffs in metrics as we allow the LLM more flexibility to allocate ads.
comment: NeurIPS 2024
♻ ☆ Attention Retrieves, MLP Memorizes: Disentangling Trainable Components in the Transformer
The Transformer architecture is central to the success of modern Large Language Models (LLMs), in part due to its surprising ability to perform a wide range of algorithmic tasks -- including mathematical reasoning, memorization, and retrieval -- using only gradient-based training on next-token prediction. While the core component of a Transformer is the self-attention mechanism, we question how much, and which aspects, of the performance gains can be attributed to it. To this end, we compare standard Transformers to variants in which either the multi-layer perceptron (MLP) layers or the attention projectors (queries and keys) are frozen at initialization. To further isolate the contribution of attention, we introduce MixiT -- the Mixing Transformer -- a simplified, principled model in which the attention coefficients are entirely random and fixed at initialization, eliminating any input-dependent computation or learning in attention. Surprisingly, we find that MixiT matches the performance of fully trained Transformers on various algorithmic tasks, especially those involving basic arithmetic or focusing heavily on memorization. For retrieval-based tasks, we observe that having input-dependent attention coefficients is consistently beneficial, while MixiT underperforms. We attribute this failure to its inability to form specialized circuits such as induction heads -- a specific circuit known to be crucial for learning and exploiting repeating patterns in input sequences. Even more interestingly, we find that attention with frozen key and query projectors is not only able to form induction heads, but can also perform competitively on language modeling. Our results underscore the importance of architectural heterogeneity, where distinct components contribute complementary inductive biases crucial for solving different classes of tasks.
♻ ☆ ColorBench: Can VLMs See and Understand the Colorful World? A Comprehensive Benchmark for Color Perception, Reasoning, and Robustness
Color plays an important role in human perception and usually provides critical clues in visual reasoning. However, it is unclear whether and how vision-language models (VLMs) can perceive, understand, and leverage color as humans. This paper introduces ColorBench, an innovative benchmark meticulously crafted to assess the capabilities of VLMs in color understanding, including color perception, reasoning, and robustness. By curating a suite of diverse test scenarios, with grounding in real applications, ColorBench evaluates how these models perceive colors, infer meanings from color-based cues, and maintain consistent performance under varying color transformations. Through an extensive evaluation of 32 VLMs with varying language models and vision encoders, our paper reveals some undiscovered findings: (i) The scaling law (larger models are better) still holds on ColorBench, while the language model plays a more important role than the vision encoder. (ii) However, the performance gaps across models are relatively small, indicating that color understanding has been largely neglected by existing VLMs. (iii) CoT reasoning improves color understanding accuracies and robustness, though they are vision-centric tasks. (iv) Color clues are indeed leveraged by VLMs on ColorBench but they can also mislead models in some tasks. These findings highlight the critical limitations of current VLMs and underscore the need to enhance color comprehension. Our ColorBenchcan serve as a foundational tool for advancing the study of human-level color understanding of multimodal AI.
comment: 36 pages, including references and appendix. Code is available at https://github.com/tianyi-lab/ColorBench
♻ ☆ Enhancing Cooperative Multi-Agent Reinforcement Learning with State Modelling and Adversarial Exploration ICML 2025
Learning to cooperate in distributed partially observable environments with no communication abilities poses significant challenges for multi-agent deep reinforcement learning (MARL). This paper addresses key concerns in this domain, focusing on inferring state representations from individual agent observations and leveraging these representations to enhance agents' exploration and collaborative task execution policies. To this end, we propose a novel state modelling framework for cooperative MARL, where agents infer meaningful belief representations of the non-observable state, with respect to optimizing their own policies, while filtering redundant and less informative joint state information. Building upon this framework, we propose the MARL SMPE algorithm. In SMPE, agents enhance their own policy's discriminative abilities under partial observability, explicitly by incorporating their beliefs into the policy network, and implicitly by adopting an adversarial type of exploration policies which encourages agents to discover novel, high-value states while improving the discriminative abilities of others. Experimentally, we show that SMPE outperforms state-of-the-art MARL algorithms in complex fully cooperative tasks from the MPE, LBF, and RWARE benchmarks.
comment: Accepted at ICML 2025
♻ ☆ LeMON: Learning to Learn Multi-Operator Networks
Single-operator learning involves training a deep neural network to learn a specific operator, whereas recent work in multi-operator learning uses an operator embedding structure to train a single neural network on data from multiple operators. Thus, multi-operator learning is capable of predicting a range of operators within one model. In this work, we propose pretraining and fine-tuning strategies for solving PDEs using multi-operator learning. One key aspect is that by increasing the number of families of operators used in pretraining, a PDE foundation model can be fine-tuned to downstream tasks involving new PDEs with a limited number of samples, thus outperforming single operator neural networks. Specifically, a multi-operator learning model pre-trained with data from diverse PDE families can predict unseen operators after fine-tuning with only a limited number of operators from the new family, enabling them to serve as a data-free PDE solver. We also show that the proposed training and fine-tuning method is able to predict new operators in zero-shot prediction without samples. Additionally, we introduce a PDE-agnostic meta-learning algorithm to improve the adaptability of the model to various PDEs by providing a better parameter initialization process. To address the needs of applications with limited computing resources, we explore low-rank adaptation methods that reduce computational costs while enhancing solver accuracy. Lastly, by examining the scaling law with respect to the number of operator families, we establish and highlight its potential for broad adaptation in PDE-solving tasks.
♻ ☆ Byzantine-Resilient Secure Aggregation for Federated Learning Without Privacy Compromises
Federated learning (FL) shows great promise in large scale machine learning, but brings new risks in terms of privacy and security. We propose ByITFL, a novel scheme for FL that provides resilience against Byzantine users while keeping the users' data private from the federator and private from other users. The scheme builds on the preexisting non-private FLTrust scheme, which tolerates malicious users through trust scores (TS) that attenuate or amplify the users' gradients. The trust scores are based on the ReLU function, which we approximate by a polynomial. The distributed and privacy-preserving computation in ByITFL is designed using a combination of Lagrange coded computing, verifiable secret sharing and re-randomization steps. ByITFL is the first Byzantine resilient scheme for FL with full information-theoretic privacy.
♻ ☆ LoByITFL: Low Communication Secure and Private Federated Learning
Privacy of the clients' data and security against Byzantine clients are key challenges in Federated Learning (FL). Existing solutions to joint privacy and security incur sacrifices on the privacy guarantee. We introduce LoByITFL, the first communication-efficient information-theoretically private and secure FL scheme that makes no sacrifices on the privacy guarantees while ensuring security against Byzantine adversaries. The key components are a small and representative dataset available to the federator, a careful modification of the FLTrust algorithm, and the one-time use of a trusted third party during an initialization period. We provide theoretical guarantees on the privacy and Byzantine resilience, as well as experimental results showing the convergence of LoByITFL.
♻ ☆ Attuned to Change: Causal Fine-Tuning under Latent-Confounded Shifts
Adapting to latent-confounded shifts remains a core challenge in modern AI. These shifts are propagated via latent variables that induce spurious, non-transportable correlations between inputs and labels. One practical failure mode arises when fine-tuning pre-trained foundation models on confounded data (e.g., where certain text tokens or image backgrounds spuriously correlate with the label), leaving models vulnerable at deployment. We frame causal fine-tuning as an identification problem and pose an explicit causal model that decomposes inputs into low-level spurious features and high-level causal representations. Under this family of models, we formalize the assumptions required for identification. Using pre-trained language models as a case study, we show how identifying and adjusting these components during causal fine-tuning enables automatic adaptation to latent-confounded shifts at test time. Experiments on semi-synthetic benchmarks derived from real-world problems demonstrate that our method outperforms black-box domain generalization baselines, illustrating the benefits of explicitly modeling causal structure.
♻ ☆ PANDAS: Improving Many-shot Jailbreaking via Positive Affirmation, Negative Demonstration, and Adaptive Sampling ICML 2025
Many-shot jailbreaking circumvents the safety alignment of LLMs by exploiting their ability to process long input sequences. To achieve this, the malicious target prompt is prefixed with hundreds of fabricated conversational exchanges between the user and the model. These exchanges are randomly sampled from a pool of unsafe question-answer pairs, making it appear as though the model has already complied with harmful instructions. In this paper, we present PANDAS: a hybrid technique that improves many-shot jailbreaking by modifying these fabricated dialogues with Positive Affirmations, Negative Demonstrations, and an optimized Adaptive Sampling method tailored to the target prompt's topic. We also introduce ManyHarm, a dataset of harmful question-answer pairs, and demonstrate through extensive experiments that PANDAS significantly outperforms baseline methods in long-context scenarios. Through attention analysis, we provide insights into how long-context vulnerabilities are exploited and show how PANDAS further improves upon many-shot jailbreaking.
comment: Accepted at ICML 2025 (Spotlight). Code: https://github.com/averyma/pandas
♻ ☆ Differentially Private Relational Learning with Entity-level Privacy Guarantees
Learning with relational and network-structured data is increasingly vital in sensitive domains where protecting the privacy of individual entities is paramount. Differential Privacy (DP) offers a principled approach for quantifying privacy risks, with DP-SGD emerging as a standard mechanism for private model training. However, directly applying DP-SGD to relational learning is challenging due to two key factors: (i) entities often participate in multiple relations, resulting in high and difficult-to-control sensitivity; and (ii) relational learning typically involves multi-stage, potentially coupled (interdependent) sampling procedures that make standard privacy amplification analyses inapplicable. This work presents a principled framework for relational learning with formal entity-level DP guarantees. We provide a rigorous sensitivity analysis and introduce an adaptive gradient clipping scheme that modulates clipping thresholds based on entity occurrence frequency. We also extend the privacy amplification results to a tractable subclass of coupled sampling, where the dependence arises only through sample sizes. These contributions lead to a tailored DP-SGD variant for relational data with provable privacy guarantees. Experiments on fine-tuning text encoders over text-attributed network-structured relational data demonstrate the strong utility-privacy trade-offs of our approach. Our code is available at https://github.com/Graph-COM/Node_DP.
♻ ☆ Learning Multimodal Latent Dynamics for Human-Robot Interaction
This article presents a method for learning well-coordinated Human-Robot Interaction (HRI) from Human-Human Interactions (HHI). We devise a hybrid approach using Hidden Markov Models (HMMs) as the latent space priors for a Variational Autoencoder to model a joint distribution over the interacting agents. We leverage the interaction dynamics learned from HHI to learn HRI and incorporate the conditional generation of robot motions from human observations into the training, thereby predicting more accurate robot trajectories. The generated robot motions are further adapted with Inverse Kinematics to ensure the desired physical proximity with a human, combining the ease of joint space learning and accurate task space reachability. For contact-rich interactions, we modulate the robot's stiffness using HMM segmentation for a compliant interaction. We verify the effectiveness of our approach deployed on a Humanoid robot via a user study. Our method generalizes well to various humans despite being trained on data from just two humans. We find that users perceive our method as more human-like, timely, and accurate and rank our method with a higher degree of preference over other baselines. We additionally show the ability of our approach to generate successful interactions in a more complex scenario of Bimanual Robot-to-Human Handovers.
comment: Preprint version of paper accepted at IEEE T-RO. Project website: https://sites.google.com/view/mild-hri
♻ ☆ Course Project Report: Comparing MCMC and Variational Inference for Bayesian Probabilistic Matrix Factorization on the MovieLens Dataset
This is a course project report with complete methodology, experiments, references and mathematical derivations. Matrix factorization [1] is a widely used technique in recommendation systems. Probabilistic Matrix Factorization (PMF) [2] extends traditional matrix factorization by incorporating probability distributions over latent factors, allowing for uncertainty quantification. However, computing the posterior distribution is intractable due to the high-dimensional integral. To address this, we employ two Bayesian inference methods: Markov Chain Monte Carlo (MCMC) [3, 4] and Variational Inference (VI) [5, 6] to approximate the posterior. We evaluate their performance on MovieLens dataset [7] and compare their convergence speed, predictive accuracy, and computational efficiency. Experimental results demonstrate that VI offers faster convergence, while MCMC provides more accurate posterior estimates.
comment: 11 pages, 2 figures. This document is a course project report. Some derivations are presented in a simplified form. For more detailed discussions and comprehensive proofs, please refer to the references cited in this report. v2 replacement: we have modified the title to better match our content. We have also updated the references to be more complete, including the link to our code
♻ ☆ Accelerating Transient CFD through Machine Learning-Based Flow Initialization
Transient computational fluid dynamics (CFD) simulations are essential for many industrial applications, but suffer from high compute costs relative to steady-state simulations. This is due to the need to: (a) reach statistical steadiness by physically advecting errors in the initial field sufficiently far downstream, and (b) gather a sufficient sample of fluctuating flow data to estimate time-averaged quantities of interest. We present a machine learning-based initialization method that aims to reduce the cost of transient solve by providing more accurate initial fields. Through a case study in automotive aerodynamics on a 17M-cell unsteady incompressible RANS simulation, we evaluate three proposed ML-based initialization strategies against existing methods. Here, we demonstrate 50% reductions in time-to-convergence compared to traditional uniform and potential flow-based initializations. Two ML-based initialization strategies are recommended for general use: (1) a hybrid method combining ML predictions with potential flow solutions, and (2) an approach integrating ML predictions with uniform flow. Both strategies enable CFD solvers to achieve convergence times comparable to computationally-expensive steady RANS initializations, while requiring far less wall-clock time to compute the initialization field. Notably, these improvements are achieved using an ML model trained on a different dataset of diverse automotive geometries, demonstrating generalization capabilities relevant to specific industrial application areas. Because this Hybrid-ML workflow only modifies the inputs to an existing CFD solver, rather than modifying the solver itself, it can be applied to existing CFD workflows with relatively minimal changes; this provides a practical approach to accelerating industrial CFD simulations using existing ML surrogate models.
♻ ☆ Loss Functions and Operators Generated by f-Divergences
The logistic loss (a.k.a. cross-entropy loss) is one of the most popular loss functions used for multiclass classification. It is also the loss function of choice for next-token prediction in language modeling. It is associated with the Kullback--Leibler (KL) divergence and the softargmax operator. In this work, we propose to construct new convex loss functions based on $f$-divergences. Our loss functions generalize the logistic loss in two directions: i) by replacing the KL divergence with $f$-divergences and ii) by allowing non-uniform reference measures. We instantiate our framework for numerous $f$-divergences, recovering existing losses and creating new ones. By analogy with the logistic loss, the loss function generated by an $f$-divergence is associated with an operator, that we dub $f$-softargmax. We derive a novel parallelizable bisection algorithm for computing the $f$-softargmax associated with any $f$-divergence. On the empirical side, one of the goals of this paper is to determine the effectiveness of loss functions beyond the classical cross-entropy in a language model setting, including on pre-training, post-training (SFT) and distillation. We show that the loss function generated by the $\alpha$-divergence (which is equivalent to Tsallis $\alpha$-negentropy in the case of unit reference measures) with $\alpha=1.5$ performs well across several tasks.
Genomics 4
☆ MARS: Processing-In-Memory Acceleration of Raw Signal Genome Analysis Inside the Storage Subsystem
Raw signal genome analysis (RSGA) has emerged as a promising approach to enable real-time genome analysis by directly analyzing raw electrical signals. However, rapid advancements in sequencing technologies make it increasingly difficult for software-based RSGA to match the throughput of raw signal generation. This paper demonstrates that while hardware acceleration techniques can significantly accelerate RSGA, the high volume of genomic data shifts the performance and energy bottleneck from computation to I/O data movement. As sequencing throughput increases, I/O overhead becomes the main contributor to both runtime and energy consumption. Therefore, there is a need to design a high-performance, energy-efficient system for RSGA that can both alleviate the data movement bottleneck and provide large acceleration capabilities. We propose MARS, a storage-centric system that leverages the heterogeneous resources within modern storage systems (e.g., storage-internal DRAM, storage controller, flash chips) alongside their large storage capacity to tackle both data movement and computational overheads of RSGA in an area-efficient and low-cost manner. MARS accelerates RSGA through a novel hardware/software co-design approach. First, MARS modifies the RSGA pipeline via two filtering mechanisms and a quantization scheme, reducing hardware demands and optimizing for in-storage execution. Second, MARS accelerates the RSGA steps directly within the storage by leveraging both Processing-Near-Memory and Processing-Using-Memory paradigms. Third, MARS orchestrates the execution of all steps to fully exploit in-storage parallelism and minimize data movement. Our evaluation shows that MARS outperforms basecalling-based software and hardware-accelerated state-of-the-art read mapping pipelines by 93x and 40x, on average across different datasets, while reducing their energy consumption by 427x and 72x.
☆ S3 Mirror: S3Mirror: Making Genomic Data Transfers Fast, Reliable, and Observable with DBOS
To meet the needs of a large pharmaceutical organization, we set out to create S3Mirror - an application for transferring large genomic sequencing datasets between S3 buckets quickly, reliably, and observably. We used the DBOSTransact durable execution framework to achieve these goals and benchmarked the performance and cost of the application. S3Mirror is an open source DBOS Python application that can run in a variety of environments, including DBOS Cloud Pro where it runs as much as 40x faster than AWS DataSync at a fraction of the cost. Moreover, S3Mirror is resilient to failures and allows for real-time filewise observability of ongoing and past transfers.
☆ Predicting function of evolutionarily implausible DNA sequences ICML 2025
Genomic language models (gLMs) show potential for generating novel, functional DNA sequences for synthetic biology, but doing so requires them to learn not just evolutionary plausibility, but also sequence-to-function relationships. We introduce a set of prediction tasks called Nullsettes, which assesses a model's ability to predict loss-of-function mutations created by translocating key control elements in synthetic expression cassettes. Across 12 state-of-the-art models, we find that mutation effect prediction performance strongly correlates with the predicted likelihood of the nonmutant. Furthermore, the range of likelihood values predictive of strong model performance is highly dependent on sequence length. Our work highlights the importance of considering both sequence likelihood and sequence length when using gLMs for mutation effect prediction.
comment: 13 pages, 6 figures, accepted to ICML 2025 Generative AI and Biology Workshop
☆ Multimodal Modeling of CRISPR-Cas12 Activity Using Foundation Models and Chromatin Accessibility Data ICML
Predicting guide RNA (gRNA) activity is critical for effective CRISPR-Cas12 genome editing but remains challenging due to limited data, variation across protospacer adjacent motifs (PAMs-short sequence requirements for Cas binding), and reliance on large-scale training. We investigate whether pre-trained biological foundation model originally trained on transcriptomic data can improve gRNA activity estimation even without domain-specific pre-training. Using embeddings from existing RNA foundation model as input to lightweight regressor, we show substantial gains over traditional baselines. We also integrate chromatin accessibility data to capture regulatory context, improving performance further. Our results highlight the effectiveness of pre-trained foundation models and chromatin accessibility data for gRNA activity prediction.
comment: This manuscript has been accepted by ICML workshop 2025
Quantitative Methods 8
☆ A Goemans-Williamson type algorithm for identifying subcohorts in clinical trials
We design an efficient algorithm that outputs a linear classifier for identifying homogeneous subsets (equivalently subcohorts) from large inhomogeneous datasets. Our theoretical contribution is a rounding technique, similar to that of Goemans and Williamson (1994), that approximates the optimal solution of the underlying optimization problem within a factor of $0.82$. As an application, we use our algorithm to design a simple test that can identify homogeneous subcohorts of patients, that are mainly comprised of metastatic cases, from the RNA microarray dataset for breast cancer by Curtis et al. (2012). Furthermore, we also use the test output by the algorithm to systematically identify subcohorts of patients in which statistically significant changes in methylation levels of tumor suppressor genes co-occur with statistically significant changes in nuclear receptor expression. Identifying such homogeneous subcohorts of patients can be useful for the discovery of disease pathways and therapeutics, specific to the subcohort.
☆ Predicting function of evolutionarily implausible DNA sequences ICML 2025
Genomic language models (gLMs) show potential for generating novel, functional DNA sequences for synthetic biology, but doing so requires them to learn not just evolutionary plausibility, but also sequence-to-function relationships. We introduce a set of prediction tasks called Nullsettes, which assesses a model's ability to predict loss-of-function mutations created by translocating key control elements in synthetic expression cassettes. Across 12 state-of-the-art models, we find that mutation effect prediction performance strongly correlates with the predicted likelihood of the nonmutant. Furthermore, the range of likelihood values predictive of strong model performance is highly dependent on sequence length. Our work highlights the importance of considering both sequence likelihood and sequence length when using gLMs for mutation effect prediction.
comment: 13 pages, 6 figures, accepted to ICML 2025 Generative AI and Biology Workshop
☆ Optimal experiment design for practical parameter identifiability and model discrimination
Mechanistic mathematical models of biological systems usually contain a number of unknown parameters whose values need to be estimated from available experimental data in order for the models to be validated and used to make quantitative predictions. This requires that the models are practically identifiable, that is, the values of the parameters can be confidently determined, given available data. A well-designed experiment can produce data that are much more informative for the purpose of inferring parameter values than a poorly designed experiment. It is, therefore, of great interest to optimally design experiments such that the resulting data maximise the practical identifiability of a chosen model. Experimental design is also useful for model discrimination, where we seek to distinguish between multiple distinct, competing models of the same biological system in order to determine which model better reveals insight into the underlying biological mechanisms. In many cases, an external stimulus can be used as a control input to probe the behaviour of the system. In this paper, we will explore techniques for optimally designing such a control for a given experiment, in order to maximise parameter identifiability and model discrimination, and demonstrate these techniques in the context of commonly applied ordinary differential equation models. We use a profile likelihood-based approach to assess parameter identifiability. We then show how the problem of optimal experimental design for model discrimination can be formulated as an optimal control problem, which can be solved efficiently by applying Pontryagin's Maximum Principle.
comment: Submitted to Mathematical Biosciences
☆ Entropy-Constrained Noise Yields Superdiffusive Dynamics in Axonal Growth
We present a coarse-grained stochastic model for axonal extension on periodic arrays of parallel micropatterns that integrates three key biophysical mechanisms: (i) the molecular clutch that couples actin retrograde flow to substrate adhesions, (ii) an active biopolymer-based mechanism generating traction-force fluctuations, and (iii) the mechanical interaction of the growth cone with the micropatterned substrate. Using the Shannon-Jaynes maximum entropy principle with constraints derived from experimental observations, we derive a unique probability distribution for the colored acceleration noise that enters the Langevin equation. The resulting stationary process exhibits power-law temporal correlations with negative exponent, which accounts for the observed superdiffusive dynamics of axons. For biologically relevant parameters the model predicts this exponent to be -1/2, in close quantitative agreement with measurements of cortical neurons cultured on patterned substrates.
comment: 11 pages, 3 figures
♻ ☆ Accelerating Causal Network Discovery of Alzheimer Disease Biomarkers via Scientific Literature-based Retrieval Augmented Generation
The causal relationships between biomarkers are essential for disease diagnosis and medical treatment planning. One notable application is Alzheimer's disease (AD) diagnosis, where certain biomarkers may influence the presence of others, enabling early detection, precise disease staging, targeted treatments, and improved monitoring of disease progression. However, understanding these causal relationships is complex and requires extensive research. Constructing a comprehensive causal network of biomarkers demands significant effort from human experts, who must analyze a vast number of research papers, and have bias in understanding diseases' biomarkers and their relation. This raises an important question: Can advanced large language models (LLMs), such as those utilizing retrieval-augmented generation (RAG), assist in building causal networks of biomarkers for further medical analysis? To explore this, we collected 200 AD-related research papers published over the past 25 years and then integrated scientific literature with RAG to extract AD biomarkers and generate causal relations among them. Given the high-risk nature of the medical diagnosis, we applied uncertainty estimation to assess the reliability of the generated causal edges and examined the faithfulness and scientificness of LLM reasoning using both automatic and human evaluation. We find that RAG enhances the ability of LLMs to generate more accurate causal networks from scientific papers. However, the overall performance of LLMs in identifying causal relations of AD biomarkers is still limited. We hope this study will inspire further foundational research on AI-driven analysis of AD biomarkers causal network discovery.
comment: 9 pages, under review
♻ ☆ DeepGDel: Deep Learning-based Gene Deletion Prediction Framework for Growth-Coupled Production in Genome-Scale Metabolic Models
In genome-scale constraint-based metabolic models, gene deletion strategies are crucial for achieving growth-coupled production, where cell growth and target metabolite production are simultaneously achieved. While computational methods for calculating gene deletions have been widely explored and contribute to developing gene deletion strategy databases, current approaches are limited in leveraging new data-driven paradigms, such as machine learning, for more efficient strain design. Therefore, it is necessary to propose a fundamental framework for this objective. In this study, we first formulate the problem of gene deletion strategy prediction and then propose a framework for predicting gene deletion strategies for growth-coupled production in genome-scale metabolic models. The proposed framework leverages deep learning algorithms to learn and integrate sequential gene and metabolite data representation, enabling the automatic gene deletion strategy prediction. Computational experiment results demonstrate the feasibility of the proposed framework, showing substantial improvements over baseline methods. Specifically, the proposed framework achieves a 14.69%, 22.52%, and 13.03% increase in overall accuracy across three metabolic models of different scales under study, while maintaining balanced precision and recall in predicting gene deletion statuses. The source code and examples for the framework are publicly available at https://github.com/MetNetComp/DeepGDel.
♻ ☆ Predicting Nanoparticle Effects on Small Biomolecule Functionalities Using the Capability of Scikit-learn and PyTorch: A Case Study on Inhibitors of the DNA Damage-Inducible Transcript 3 (CHOP)
The presented study contributes to ongoing research that aims to overcome challenges in predicting the bio-applicability of nanoparticles (NPs). The approach explored a variety of combinations of nuclear magnetic resonance (NMR) spectroscopy data derived from the Simplified molecular-input line-entry system (SMILES) notations and small biomolecule features. The resulting datasets were utilised for machine learning (ML) with scikit-learn and deep neural networks (DNN) with PyTorch. Despite the obstacles in predicting how NPs influence biomolecule functionalities, the methodology was reasoned in terms of its applicability to compounds both with and without NPs. The methodology was illustrated through a quantitative high-throughput screening (qHTS) aimed at finding DNA Damage-Inducible Transcript 3 (CHOP) inhibitors. Based on this data, the optimal ML performance was obtained by the Random Forest Classifier, which was trained with 19,184 samples and tested with 4,000 achieving 81.1% accuracy, 83.4% precision, 77.7% recall, 80.4% F1-score, 81.1% ROC and 0.821 five-fold cross validation score. Complementing the main research, the paper introduces two computational applications for CHOP inhibition drug discovery. The first approach identifies the most desirable and undesirable functional groups/fragments for CHOP inhibition, with a hypothetical application to nanoformulations (NFs) as well. The second one developed a CID_SID ML model that solely relies on the PubChem identifiers to predict whether an already designed compound possesses CHOP inhibition potential (90.1 % accuracy) and thus contributes to the detection of such a side effect.
comment: 32 pages, 13 figures, 25 tables
♻ ☆ Elucidating the Design Space of Multimodal Protein Language Models ICML 2025
Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into discrete tokens causes substantial loss of fidelity about fine-grained structural details and correlations. In this paper, we systematically elucidate the design space of multimodal PLMs to overcome their limitations. We identify tokenization loss and inaccurate structure token predictions by the PLMs as major bottlenecks. To address these, our proposed design space covers improved generative modeling, structure-aware architectures and representation learning, and data exploration. Our advancements approach finer-grained supervision, demonstrating that token-based multimodal PLMs can achieve robust structural modeling. The effective design methods dramatically improve the structure generation diversity, and notably, folding abilities of our 650M model by reducing the RMSD from 5.52 to 2.36 on PDB testset, even outperforming 3B baselines and on par with the specialized folding models. Project page and code: https://bytedance.github.io/dplm/dplm-2.1/.
comment: ICML 2025 Spotlight; Project Page: https://bytedance.github.io/dplm/dplm-2.1/
Cell Behavior 1
☆ Entropy-Constrained Noise Yields Superdiffusive Dynamics in Axonal Growth
We present a coarse-grained stochastic model for axonal extension on periodic arrays of parallel micropatterns that integrates three key biophysical mechanisms: (i) the molecular clutch that couples actin retrograde flow to substrate adhesions, (ii) an active biopolymer-based mechanism generating traction-force fluctuations, and (iii) the mechanical interaction of the growth cone with the micropatterned substrate. Using the Shannon-Jaynes maximum entropy principle with constraints derived from experimental observations, we derive a unique probability distribution for the colored acceleration noise that enters the Langevin equation. The resulting stationary process exhibits power-law temporal correlations with negative exponent, which accounts for the observed superdiffusive dynamics of axons. For biologically relevant parameters the model predicts this exponent to be -1/2, in close quantitative agreement with measurements of cortical neurons cultured on patterned substrates.
comment: 11 pages, 3 figures
Machine Learning 63
☆ A new type of federated clustering: A non-model-sharing approach
In recent years, the growing need to leverage sensitive data across institutions has led to increased attention on federated learning (FL), a decentralized machine learning paradigm that enables model training without sharing raw data. However, existing FL-based clustering methods, known as federated clustering, typically assume simple data partitioning scenarios such as horizontal or vertical splits, and cannot handle more complex distributed structures. This study proposes data collaboration clustering (DC-Clustering), a novel federated clustering method that supports clustering over complex data partitioning scenarios where horizontal and vertical splits coexist. In DC-Clustering, each institution shares only intermediate representations instead of raw data, ensuring privacy preservation while enabling collaborative clustering. The method allows flexible selection between k-means and spectral clustering, and achieves final results with a single round of communication with the central server. We conducted extensive experiments using synthetic and open benchmark datasets. The results show that our method achieves clustering performance comparable to centralized clustering where all data are pooled. DC-Clustering addresses an important gap in current FL research by enabling effective knowledge discovery from distributed heterogeneous data. Its practical properties -- privacy preservation, communication efficiency, and flexibility -- make it a promising tool for privacy-sensitive domains such as healthcare and finance.
☆ Prompt Attacks Reveal Superficial Knowledge Removal in Unlearning Methods
In this work, we show that some machine unlearning methods may fail when subjected to straightforward prompt attacks. We systematically evaluate eight unlearning techniques across three model families, and employ output-based, logit-based, and probe analysis to determine to what extent supposedly unlearned knowledge can be retrieved. While methods like RMU and TAR demonstrate robust unlearning, ELM remains vulnerable to specific prompt attacks (e.g., Hindi filler text in original prompt recovering 57.3% accuracy). Our logit analysis also confirms that unlearned models are generally not hiding knowledge by modifying the way the answer is formatted, as the correlation between output and logit accuracy is strong. These results challenge prevailing assumptions about unlearning effectiveness and highlight the need for evaluation frameworks that can reliably distinguish between true knowledge removal and superficial output suppression. We also publicly make available our evaluation framework to easily evaluate prompting techniques to retrieve unlearning knowledge.
comment: 20 pages, 6 figures
☆ LaMAGIC2: Advanced Circuit Formulations for Language Model-Based Analog Topology Generation ICML
Automation of analog topology design is crucial due to customized requirements of modern applications with heavily manual engineering efforts. The state-of-the-art work applies a sequence-to-sequence approach and supervised finetuning on language models to generate topologies given user specifications. However, its circuit formulation is inefficient due to O(|V |2) token length and suffers from low precision sensitivity to numeric inputs. In this work, we introduce LaMAGIC2, a succinct float-input canonical formulation with identifier (SFCI) for language model-based analog topology generation. SFCI addresses these challenges by improving component-type recognition through identifier-based representations, reducing token length complexity to O(|V |), and enhancing numeric precision sensitivity for better performance under tight tolerances. Our experiments demonstrate that LaMAGIC2 achieves 34% higher success rates under a tight tolerance of 0.01 and 10X lower MSEs compared to a prior method. LaMAGIC2 also exhibits better transferability for circuits with more vertices with up to 58.5% improvement. These advancements establish LaMAGIC2 as a robust framework for analog topology generation.
comment: Accepted at 42nd International Conference on Machine Learning (ICML) 2025
☆ ScoreMix: Improving Face Recognition via Score Composition in Diffusion Generators
In this paper, we propose ScoreMix, a novel yet simple data augmentation strategy leveraging the score compositional properties of diffusion models to enhance discriminator performance, particularly under scenarios with limited labeled data. By convexly mixing the scores from different class-conditioned trajectories during diffusion sampling, we generate challenging synthetic samples that significantly improve discriminative capabilities in all studied benchmarks. We systematically investigate class-selection strategies for mixing and discover that greater performance gains arise when combining classes distant in the discriminator's embedding space, rather than close in the generator's condition space. Moreover, we empirically show that, under standard metrics, the correlation between the generator's learned condition space and the discriminator's embedding space is minimal. Our approach achieves notable performance improvements without extensive parameter searches, demonstrating practical advantages for training discriminative models while effectively mitigating problems regarding collections of large datasets. Paper website: https://parsa-ra.github.io/scoremix
☆ Cross-Learning Between ECG and PCG: Exploring Common and Exclusive Characteristics of Bimodal Electromechanical Cardiac Waveforms
Simultaneous electrocardiography (ECG) and phonocardiogram (PCG) provide a comprehensive, multimodal perspective on cardiac function by capturing the heart's electrical and mechanical activities, respectively. However, the distinct and overlapping information content of these signals, as well as their potential for mutual reconstruction and biomarker extraction, remains incompletely understood, especially under varying physiological conditions and across individuals. In this study, we systematically investigate the common and exclusive characteristics of ECG and PCG using the EPHNOGRAM dataset of simultaneous ECG-PCG recordings during rest and exercise. We employ a suite of linear and nonlinear machine learning models, including non-causal LSTM networks, to reconstruct each modality from the other and analyze the influence of causality, physiological state, and cross-subject variability. Our results demonstrate that nonlinear models, particularly non-causal LSTM, provide superior reconstruction performance, with reconstructing ECG from PCG proving more tractable than the reverse. Exercise and cross-subject scenarios present significant challenges, but envelope-based modeling that utilizes instantaneous amplitude features substantially improves cross-subject generalizability for cross-modal learning. Furthermore, we demonstrate that clinically relevant ECG biomarkers, such as fiducial points and QT intervals, can be estimated from PCG in cross-subject settings. These findings advance our understanding of the relationship between electromechanical cardiac modalities, in terms of both waveform characteristics and the timing of cardiac events, with potential applications in novel multimodal cardiac monitoring technologies.
☆ AWP: Activation-Aware Weight Pruning and Quantization with Projected Gradient Descent ICML 2025
To address the enormous size of Large Language Models (LLMs), model compression methods, such as quantization and pruning, are often deployed, especially on edge devices. In this work, we focus on layer-wise post-training quantization and pruning. Drawing connections between activation-aware weight pruning and sparse approximation problems, and motivated by the success of Iterative Hard Thresholding (IHT), we propose a unified method for Activation-aware Weight pruning and quantization via Projected gradient descent (AWP). Our experiments demonstrate that AWP outperforms state-of-the-art LLM pruning and quantization methods. Theoretical convergence guarantees of the proposed method for pruning are also provided.
comment: ICML 2025 workshop on Efficient Systems for Foundation Models
☆ Prompt Variability Effects On LLM Code Generation
Code generation is one of the most active areas of application of Large Language Models (LLMs). While LLMs lower barriers to writing code and accelerate development process, the overall quality of generated programs depends on the quality of given prompts. Specifically, functionality and quality of generated code can be sensitive to user's background and familiarity with software development. It is therefore important to quantify LLM's sensitivity to variations in the input. To this end we propose a synthetic evaluation pipeline for code generation with LLMs, as well as a systematic persona-based evaluation approach to expose qualitative differences of LLM responses dependent on prospective user background. Both proposed methods are completely independent from specific programming tasks and LLMs, and thus are widely applicable. We provide experimental evidence illustrating utility of our methods and share our code for the benefit of the community.
☆ DynaSubVAE: Adaptive Subgrouping for Scalable and Robust OOD Detection
Real-world observational data often contain existing or emerging heterogeneous subpopulations that deviate from global patterns. The majority of models tend to overlook these underrepresented groups, leading to inaccurate or even harmful predictions. Existing solutions often rely on detecting these samples as Out-of-domain (OOD) rather than adapting the model to new emerging patterns. We introduce DynaSubVAE, a Dynamic Subgrouping Variational Autoencoder framework that jointly performs representation learning and adaptive OOD detection. Unlike conventional approaches, DynaSubVAE evolves with the data by dynamically updating its latent structure to capture new trends. It leverages a novel non-parametric clustering mechanism, inspired by Gaussian Mixture Models, to discover and model latent subgroups based on embedding similarity. Extensive experiments show that DynaSubVAE achieves competitive performance in both near-OOD and far-OOD detection, and excels in class-OOD scenarios where an entire class is missing during training. We further illustrate that our dynamic subgrouping mechanism outperforms standalone clustering methods such as GMM and KMeans++ in terms of both OOD accuracy and regret precision.
☆ Exploring Topological and Localization Phenomena in SSH Chains under Generalized AAH Modulation: A Computational Approach
The Su-Schrieffer-Heeger (SSH) model serves as a canonical example of a one-dimensional topological insulator, yet its behavior under more complex, realistic conditions remains a fertile ground for research. This paper presents a comprehensive computational investigation into generalized SSH models, exploring the interplay between topology, quasi-periodic disorder, non-Hermiticity, and time-dependent driving. Using exact diagonalization and specialized numerical solvers, we map the system's phase space through its spectral properties and localization characteristics, quantified by the Inverse Participation Ratio (IPR). We demonstrate that while the standard SSH model exhibits topologically protected edge states, these are destroyed by a localization transition induced by strong Aubry-Andr\'e-Harper (AAH) modulation. Further, we employ unsupervised machine learning (PCA) to autonomously classify the system's phases, revealing that strong localization can obscure underlying topological signatures. Extending the model beyond Hermiticity, we uncover the non-Hermitian skin effect, a dramatic localization of all bulk states at a boundary. Finally, we apply a periodic Floquet drive to a topologically trivial chain, successfully engineering a Floquet topological insulator characterized by the emergence of anomalous edge states at the boundaries of the quasi-energy zone. These findings collectively provide a multi-faceted view of the rich phenomena hosted in generalized 1D topological systems.
☆ Improving Oral Cancer Outcomes Through Machine Learning and Dimensionality Reduction
Oral cancer presents a formidable challenge in oncology, necessitating early diagnosis and accurate prognosis to enhance patient survival rates. Recent advancements in machine learning and data mining have revolutionized traditional diagnostic methodologies, providing sophisticated and automated tools for differentiating between benign and malignant oral lesions. This study presents a comprehensive review of cutting-edge data mining methodologies, including Neural Networks, K-Nearest Neighbors (KNN), Support Vector Machines (SVM), and ensemble learning techniques, specifically applied to the diagnosis and prognosis of oral cancer. Through a rigorous comparative analysis, our findings reveal that Neural Networks surpass other models, achieving an impressive classification accuracy of 93,6 % in predicting oral cancer. Furthermore, we underscore the potential benefits of integrating feature selection and dimensionality reduction techniques to enhance model performance. These insights underscore the significant promise of advanced data mining techniques in bolstering early detection, optimizing treatment strategies, and ultimately improving patient outcomes in the realm of oral oncology.
☆ Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment ICML 2025
Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant architectures limit the scalability and efficiency of diffusion models. In this paper, we propose an approach that relaxes such equivariance constraints. Specifically, our approach learns a sample-dependent SO(3) transformation for each molecule to construct an aligned latent space. A non-equivariant diffusion model is then trained over the aligned representations. Experimental results demonstrate that our approach performs significantly better than previously reported non-equivariant models. It yields sample quality comparable to state-of-the-art equivariant diffusion models and offers improved training and sampling efficiency. Our code is available at https://github.com/skeletondyh/RADM
comment: ICML 2025
☆ Optimizing Genetic Algorithms with Multilayer Perceptron Networks for Enhancing TinyFace Recognition
This study conducts an empirical examination of MLP networks investigated through a rigorous methodical experimentation process involving three diverse datasets: TinyFace, Heart Disease, and Iris. Study Overview: The study includes three key methods: a) a baseline training using the default settings for the Multi-Layer Perceptron (MLP), b) feature selection using Genetic Algorithm (GA) based refinement c) Principal Component Analysis (PCA) based dimension reduction. The results show important information on how such techniques affect performance. While PCA had showed benefits in low-dimensional and noise-free datasets GA consistently increased accuracy in complex datasets by accurately identifying critical features. Comparison reveals that feature selection and dimensionality reduction play interdependent roles in enhancing MLP performance. The study contributes to the literature on feature engineering and neural network parameter optimization, offering practical guidelines for a wide range of machine learning tasks
☆ A Comparative Study of Machine Learning Techniques for Early Prediction of Diabetes
In many nations, diabetes is becoming a significant health problem, and early identification and control are crucial. Using machine learning algorithms to predict diabetes has yielded encouraging results. Using the Pima Indians Diabetes dataset, this study attempts to evaluate the efficacy of several machine-learning methods for diabetes prediction. The collection includes information on 768 patients, such as their ages, BMIs, and glucose levels. The techniques assessed are Logistic Regression, Decision Tree, Random Forest, k-Nearest Neighbors, Naive Bayes, Support Vector Machine, Gradient Boosting, and Neural Network. The findings indicate that the Neural Network algorithm performed the best, with an accuracy of 78.57 percent, followed by the Random Forest method, with an accuracy of 76.30 percent. The study implies that machine learning algorithms can aid diabetes prediction and be an efficient early detection tool.
☆ Geometric Regularity in Deterministic Sampling of Diffusion-based Generative Models ICML 2024
Diffusion-based generative models employ stochastic differential equations (SDEs) and their equivalent probability flow ordinary differential equations (ODEs) to establish a smooth transformation between complex high-dimensional data distributions and tractable prior distributions. In this paper, we reveal a striking geometric regularity in the deterministic sampling dynamics: each simulated sampling trajectory lies within an extremely low-dimensional subspace, and all trajectories exhibit an almost identical ''boomerang'' shape, regardless of the model architecture, applied conditions, or generated content. We characterize several intriguing properties of these trajectories, particularly under closed-form solutions based on kernel-estimated data modeling. We also demonstrate a practical application of the discovered trajectory regularity by proposing a dynamic programming-based scheme to better align the sampling time schedule with the underlying trajectory structure. This simple strategy requires minimal modification to existing ODE-based numerical solvers, incurs negligible computational overhead, and achieves superior image generation performance, especially in regions with only $5 \sim 10$ function evaluations.
comment: 50 pages. The short version appeared in ICML 2024. arXiv admin note: substantial text overlap with arXiv:2405.11326
☆ SPARKE: Scalable Prompt-Aware Diversity Guidance in Diffusion Models via RKE Score
Diffusion models have demonstrated remarkable success in high-fidelity image synthesis and prompt-guided generative modeling. However, ensuring adequate diversity in generated samples of prompt-guided diffusion models remains a challenge, particularly when the prompts span a broad semantic spectrum and the diversity of generated data needs to be evaluated in a prompt-aware fashion across semantically similar prompts. Recent methods have introduced guidance via diversity measures to encourage more varied generations. In this work, we extend the diversity measure-based approaches by proposing the Scalable Prompt-Aware R\'eny Kernel Entropy Diversity Guidance (SPARKE) method for prompt-aware diversity guidance. SPARKE utilizes conditional entropy for diversity guidance, which dynamically conditions diversity measurement on similar prompts and enables prompt-aware diversity control. While the entropy-based guidance approach enhances prompt-aware diversity, its reliance on the matrix-based entropy scores poses computational challenges in large-scale generation settings. To address this, we focus on the special case of Conditional latent RKE Score Guidance, reducing entropy computation and gradient-based optimization complexity from the $O(n^3)$ of general entropy measures to $O(n)$. The reduced computational complexity allows for diversity-guided sampling over potentially thousands of generation rounds on different prompts. We numerically test the SPARKE method on several text-to-image diffusion models, demonstrating that the proposed method improves the prompt-aware diversity of the generated data without incurring significant computational costs. We release our code on the project page: https://mjalali.github.io/SPARKE
☆ Momentum Multi-Marginal Schrödinger Bridge Matching
Understanding complex systems by inferring trajectories from sparse sample snapshots is a fundamental challenge in a wide range of domains, e.g., single-cell biology, meteorology, and economics. Despite advancements in Bridge and Flow matching frameworks, current methodologies rely on pairwise interpolation between adjacent snapshots. This hinders their ability to capture long-range temporal dependencies and potentially affects the coherence of the inferred trajectories. To address these issues, we introduce \textbf{Momentum Multi-Marginal Schr\"odinger Bridge Matching (3MSBM)}, a novel matching framework that learns smooth measure-valued splines for stochastic systems that satisfy multiple positional constraints. This is achieved by lifting the dynamics to phase space and generalizing stochastic bridges to be conditioned on several points, forming a multi-marginal conditional stochastic optimal control problem. The underlying dynamics are then learned by minimizing a variational objective, having fixed the path induced by the multi-marginal conditional bridge. As a matching approach, 3MSBM learns transport maps that preserve intermediate marginals throughout training, significantly improving convergence and scalability. Extensive experimentation in a series of real-world applications validates the superior performance of 3MSBM compared to existing methods in capturing complex dynamics with temporal dependencies, opening new avenues for training matching frameworks in multi-marginal settings.
☆ Wasserstein Barycenter Soft Actor-Critic
Deep off-policy actor-critic algorithms have emerged as the leading framework for reinforcement learning in continuous control domains. However, most of these algorithms suffer from poor sample efficiency, especially in environments with sparse rewards. In this paper, we take a step towards addressing this issue by providing a principled directed exploration strategy. We propose Wasserstein Barycenter Soft Actor-Critic (WBSAC) algorithm, which benefits from a pessimistic actor for temporal difference learning and an optimistic actor to promote exploration. This is achieved by using the Wasserstein barycenter of the pessimistic and optimistic policies as the exploration policy and adjusting the degree of exploration throughout the learning process. We compare WBSAC with state-of-the-art off-policy actor-critic algorithms and show that WBSAC is more sample-efficient on MuJoCo continuous control tasks.
☆ The 2025 PNPL Competition: Speech Detection and Phoneme Classification in the LibriBrain Dataset
The advance of speech decoding from non-invasive brain data holds the potential for profound societal impact. Among its most promising applications is the restoration of communication to paralysed individuals affected by speech deficits such as dysarthria, without the need for high-risk surgical interventions. The ultimate aim of the 2025 PNPL competition is to produce the conditions for an "ImageNet moment" or breakthrough in non-invasive neural decoding, by harnessing the collective power of the machine learning community. To facilitate this vision we present the largest within-subject MEG dataset recorded to date (LibriBrain) together with a user-friendly Python library (pnpl) for easy data access and integration with deep learning frameworks. For the competition we define two foundational tasks (i.e. Speech Detection and Phoneme Classification from brain data), complete with standardised data splits and evaluation metrics, illustrative benchmark models, online tutorial code, a community discussion board, and public leaderboard for submissions. To promote accessibility and participation the competition features a Standard track that emphasises algorithmic innovation, as well as an Extended track that is expected to reward larger-scale computing, accelerating progress toward a non-invasive brain-computer interface for speech.
☆ Probabilistic Variational Contrastive Learning
Deterministic embeddings learned by contrastive learning (CL) methods such as SimCLR and SupCon achieve state-of-the-art performance but lack a principled mechanism for uncertainty quantification. We propose Variational Contrastive Learning (VCL), a decoder-free framework that maximizes the evidence lower bound (ELBO) by interpreting the InfoNCE loss as a surrogate reconstruction term and adding a KL divergence regularizer to a uniform prior on the unit hypersphere. We model the approximate posterior $q_\theta(z|x)$ as a projected normal distribution, enabling the sampling of probabilistic embeddings. Our two instantiations--VSimCLR and VSupCon--replace deterministic embeddings with samples from $q_\theta(z|x)$ and incorporate a normalized KL term into the loss. Experiments on multiple benchmarks demonstrate that VCL mitigates dimensional collapse, enhances mutual information with class labels, and matches or outperforms deterministic baselines in classification accuracy, all the while providing meaningful uncertainty estimates through the posterior model. VCL thus equips contrastive learning with a probabilistic foundation, serving as a new basis for contrastive approaches.
☆ Measuring Corporate Human Capital Disclosures: Lexicon, Data, Code, and Research Opportunities
Human capital (HC) is increasingly important to corporate value creation. Unlike other assets, however, HC is not currently subject to well-defined measurement or disclosure rules. We use a machine learning algorithm (word2vec) trained on a confirmed set of HC disclosures to develop a comprehensive list of HC-related keywords classified into five subcategories (DEI; health and safety; labor relations and culture; compensation and benefits; and demographics and other) that capture the multidimensional nature of HC management. We share our lexicon, corporate HC disclosures, and the Python code used to develop the lexicon, and we provide detailed examples of using our data and code, including for fine-tuning a BERT model. Researchers can use our HC lexicon (or modify the code to capture another construct of interest) with their samples of corporate communications to address pertinent HC questions. We close with a discussion of future research opportunities related to HC management and disclosure.
comment: 50 pages, 6 figures, 5 tables
☆ Analyzing Emotions in Bangla Social Media Comments Using Machine Learning and LIME
Research on understanding emotions in written language continues to expand, especially for understudied languages with distinctive regional expressions and cultural features, such as Bangla. This study examines emotion analysis using 22,698 social media comments from the EmoNoBa dataset. For language analysis, we employ machine learning models: Linear SVM, KNN, and Random Forest with n-gram data from a TF-IDF vectorizer. We additionally investigated how PCA affects the reduction of dimensionality. Moreover, we utilized a BiLSTM model and AdaBoost to improve decision trees. To make our machine learning models easier to understand, we used LIME to explain the predictions of the AdaBoost classifier, which uses decision trees. With the goal of advancing sentiment analysis in languages with limited resources, our work examines various techniques to find efficient techniques for emotion identification in Bangla.
☆ Attention on flow control: transformer-based reinforcement learning for lift regulation in highly disturbed flows
A linear flow control strategy designed for weak disturbances may not remain effective in sequences of strong disturbances due to nonlinear interactions, but it is sensible to leverage it for developing a better strategy. In the present study, we propose a transformer-based reinforcement learning (RL) framework to learn an effective control strategy for regulating aerodynamic lift in gust sequences via pitch control. The transformer addresses the challenge of partial observability from limited surface pressure sensors. We demonstrate that the training can be accelerated with two techniques -- pretraining with an expert policy (here, linear control) and task-level transfer learning (here, extending a policy trained on isolated gusts to multiple gusts). We show that the learned strategy outperforms the best proportional control, with the performance gap widening as the number of gusts increases. The control strategy learned in an environment with a small number of successive gusts is shown to effectively generalize to an environment with an arbitrarily long sequence of gusts. We investigate the pivot configuration and show that quarter-chord pitching control can achieve superior lift regulation with substantially less control effort compared to mid-chord pitching control. Through a decomposition of the lift, we attribute this advantage to the dominant added-mass contribution accessible via quarter-chord pitching. The success on multiple configurations shows the generalizability of the proposed transformer-based RL framework, which offers a promising approach to solve more computationally demanding flow control problems when combined with the proposed acceleration techniques.
☆ Balanced Hyperbolic Embeddings Are Natural Out-of-Distribution Detectors
Out-of-distribution recognition forms an important and well-studied problem in deep learning, with the goal to filter out samples that do not belong to the distribution on which a network has been trained. The conclusion of this paper is simple: a good hierarchical hyperbolic embedding is preferred for discriminating in- and out-of-distribution samples. We introduce Balanced Hyperbolic Learning. We outline a hyperbolic class embedding algorithm that jointly optimizes for hierarchical distortion and balancing between shallow and wide subhierarchies. We then use the class embeddings as hyperbolic prototypes for classification on in-distribution data. We outline how to generalize existing out-of-distribution scoring functions to operate with hyperbolic prototypes. Empirical evaluations across 13 datasets and 13 scoring functions show that our hyperbolic embeddings outperform existing out-of-distribution approaches when trained on the same data with the same backbones. We also show that our hyperbolic embeddings outperform other hyperbolic approaches, beat state-of-the-art contrastive methods, and natively enable hierarchical out-of-distribution generalization.
☆ Physiological-Model-Based Neural Network for Heart Rate Estimation during Daily Physical Activities
Heart failure (HF) poses a significant global health challenge, with early detection offering opportunities for improved outcomes. Abnormalities in heart rate (HR), particularly during daily activities, may serve as early indicators of HF risk. However, existing HR monitoring tools for HF detection are limited by their reliability on population-based averages. The estimation of individualized HR serves as a dynamic digital twin, enabling precise tracking of cardiac health biomarkers. Current HR estimation methods, categorized into physiologically-driven and purely data-driven models, struggle with efficiency and interpretability. This study introduces a novel physiological-model-based neural network (PMB-NN) framework for HR estimation based on oxygen uptake (VO2) data during daily physical activities. The framework was trained and tested on individual datasets from 12 participants engaged in activities including resting, cycling, and running. By embedding physiological constraints, which were derived from our proposed simplified human movement physiological model (PM), into the neural network training process, the PMB-NN model adheres to human physiological principles while achieving high estimation accuracy, with a median R$^2$ score of 0.8 and an RMSE of 8.3 bpm. Comparative statistical analysis demonstrates that the PMB-NN achieves performance on par with the benchmark neural network model while significantly outperforming traditional physiological model (p=0.002). In addition, our PMB-NN is adept at identifying personalized parameters of the PM, enabling the PM to generate reasonable HR estimation. The proposed framework with a precise VO2 estimation system derived from body movements enables the future possibilities of personalized and real-time cardiac monitoring during daily life physical activities.
☆ Diffusion prior as a direct regularization term for FWI
Diffusion models have recently shown promise as powerful generative priors for inverse problems. However, conventional applications require solving the full reverse diffusion process and operating on noisy intermediate states, which poses challenges for physics-constrained computational seismic imaging. In particular, such instability is pronounced in non-linear solvers like those used in Full Waveform Inversion (FWI), where wave propagation through noisy velocity fields can lead to numerical artifacts and poor inversion quality. In this work, we propose a simple yet effective framework that directly integrates a pretrained Denoising Diffusion Probabilistic Model (DDPM) as a score-based generative diffusion prior into FWI through a score rematching strategy. Unlike traditional diffusion approaches, our method avoids the reverse diffusion sampling and needs fewer iterations. We operate the image inversion entirely in the clean image space, eliminating the need to operate through noisy velocity models. The generative diffusion prior can be introduced as a simple regularization term in the standard FWI update rule, requiring minimal modification to existing FWI pipelines. This promotes stable wave propagation and can improve convergence behavior and inversion quality. Numerical experiments suggest that the proposed method offers enhanced fidelity and robustness compared to conventional and GAN-based FWI approaches, while remaining practical and computationally efficient for seismic imaging and other inverse problem tasks.
☆ Survival Analysis as Imprecise Classification with Trainable Kernels
Survival analysis is a fundamental tool for modeling time-to-event data in healthcare, engineering, and finance, where censored observations pose significant challenges. While traditional methods like the Beran estimator offer nonparametric solutions, they often struggle with the complex data structures and heavy censoring. This paper introduces three novel survival models, iSurvM (the imprecise Survival model based on Mean likelihood functions), iSurvQ (the imprecise Survival model based on the Quantiles of likelihood functions), and iSurvJ (the imprecise Survival model based on the Joint learning), that combine imprecise probability theory with attention mechanisms to handle censored data without parametric assumptions. The first idea behind the models is to represent censored observations by interval-valued probability distributions for each instance over time intervals between events moments. The second idea is to employ the kernel-based Nadaraya-Watson regression with trainable attention weights for computing the imprecise probability distribution over time intervals for the entire dataset. The third idea is to consider three decision strategies for training, which correspond to the proposed three models. Experiments on synthetic and real datasets demonstrate that the proposed models, especially iSurvJ, consistently outperform the Beran estimator from the accuracy and computational complexity points of view. Codes implementing the proposed models are publicly available.
☆ Interpreting learned search: finding a transition model and value function in an RNN that plays Sokoban
We partially reverse-engineer a convolutional recurrent neural network (RNN) trained to play the puzzle game Sokoban with model-free reinforcement learning. Prior work found that this network solves more levels with more test-time compute. Our analysis reveals several mechanisms analogous to components of classic bidirectional search. For each square, the RNN represents its plan in the activations of channels associated with specific directions. These state-action activations are analogous to a value function - their magnitudes determine when to backtrack and which plan branch survives pruning. Specialized kernels extend these activations (containing plan and value) forward and backward to create paths, forming a transition model. The algorithm is also unlike classical search in some ways. State representation is not unified; instead, the network considers each box separately. Each layer has its own plan representation and value function, increasing search depth. Far from being inscrutable, the mechanisms leveraging test-time compute learned in this network by model-free training can be understood in familiar terms.
comment: 33 pages, 22 figures
☆ Self-Predictive Representations for Combinatorial Generalization in Behavioral Cloning
Behavioral cloning (BC) methods trained with supervised learning (SL) are an effective way to learn policies from human demonstrations in domains like robotics. Goal-conditioning these policies enables a single generalist policy to capture diverse behaviors contained within an offline dataset. While goal-conditioned behavior cloning (GCBC) methods can perform well on in-distribution training tasks, they do not necessarily generalize zero-shot to tasks that require conditioning on novel state-goal pairs, i.e. combinatorial generalization. In part, this limitation can be attributed to a lack of temporal consistency in the state representation learned by BC; if temporally related states are encoded to similar latent representations, then the out-of-distribution gap for novel state-goal pairs would be reduced. Hence, encouraging this temporal consistency in the representation space should facilitate combinatorial generalization. Successor representations, which encode the distribution of future states visited from the current state, nicely encapsulate this property. However, previous methods for learning successor representations have relied on contrastive samples, temporal-difference (TD) learning, or both. In this work, we propose a simple yet effective representation learning objective, $\text{BYOL-}\gamma$ augmented GCBC, which is not only able to theoretically approximate the successor representation in the finite MDP case without contrastive samples or TD learning, but also, results in competitive empirical performance across a suite of challenging tasks requiring combinatorial generalization.
☆ Provable Sim-to-Real Transfer via Offline Domain Randomization
Reinforcement-learning agents often struggle when deployed from simulation to the real-world. A dominant strategy for reducing the sim-to-real gap is domain randomization (DR) which trains the policy across many simulators produced by sampling dynamics parameters, but standard DR ignores offline data already available from the real system. We study offline domain randomization (ODR), which first fits a distribution over simulator parameters to an offline dataset. While a growing body of empirical work reports substantial gains with algorithms such as DROPO, the theoretical foundations of ODR remain largely unexplored. In this work, we (i) formalize ODR as a maximum-likelihood estimation over a parametric simulator family, (ii) prove consistency of this estimator under mild regularity and identifiability conditions, showing it converges to the true dynamics as the dataset grows, (iii) derive gap bounds demonstrating ODRs sim-to-real error is up to an O(M) factor tighter than uniform DR in the finite-simulator case (and analogous gains in the continuous setting), and (iv) introduce E-DROPO, a new version of DROPO which adds an entropy bonus to prevent variance collapse, yielding broader randomization and more robust zero-shot transfer in practice.
☆ ViCrit: A Verifiable Reinforcement Learning Proxy Task for Visual Perception in VLMs
Reinforcement learning (RL) has shown great effectiveness for fine-tuning large language models (LLMs) using tasks that are challenging yet easily verifiable, such as math reasoning or code generation. However, extending this success to visual perception in vision-language models (VLMs) has been impeded by the scarcity of vision-centric tasks that are simultaneously challenging and unambiguously verifiable. To this end, we introduce ViCrit (Visual Caption Hallucination Critic), an RL proxy task that trains VLMs to localize a subtle, synthetic visual hallucination injected into paragraphs of human-written image captions. Starting from a 200-word captions, we inject a single, subtle visual description error-altering a few words on objects, attributes, counts, or spatial relations-and task the model to pinpoint the corrupted span given the image and the modified caption. This formulation preserves the full perceptual difficulty while providing a binary, exact-match reward that is easy to compute and unambiguous. Models trained with the ViCrit Task exhibit substantial gains across a variety of VL benchmarks. Crucially, the improvements transfer beyond natural-image training data to abstract image reasoning and visual math, showing promises of learning to perceive rather than barely memorizing seen objects. To facilitate evaluation, we further introduce ViCrit-Bench, a category-balanced diagnostic benchmark that systematically probes perception errors across diverse image domains and error types. Together, our results demonstrate that fine-grained hallucination criticism is an effective and generalizable objective for enhancing visual perception in VLMs.
☆ Meet Me at the Arm: The Cooperative Multi-Armed Bandits Problem with Shareable Arms
We study the decentralized multi-player multi-armed bandits (MMAB) problem under a no-sensing setting, where each player receives only their own reward and obtains no information about collisions. Each arm has an unknown capacity, and if the number of players pulling an arm exceeds its capacity, all players involved receive zero reward. This setting generalizes the classical unit-capacity model and introduces new challenges in coordination and capacity discovery under severe feedback limitations. We propose A-CAPELLA (Algorithm for Capacity-Aware Parallel Elimination for Learning and Allocation), a decentralized algorithm that achieves logarithmic regret in this generalized regime. Our main contribution is a collaborative hypothesis testing protocol that enables synchronized successive elimination and capacity estimation through carefully structured collision patterns. This represents a provably efficient learning result in decentralized no-sensing MMAB with unknown arm capacities.
☆ GRAIL: A Benchmark for GRaph ActIve Learning in Dynamic Sensing Environments
Graph-based Active Learning (AL) leverages the structure of graphs to efficiently prioritize label queries, reducing labeling costs and user burden in applications like health monitoring, human behavior analysis, and sensor networks. By identifying strategically positioned nodes, graph AL minimizes data collection demands while maintaining model performance, making it a valuable tool for dynamic environments. Despite its potential, existing graph AL methods are often evaluated on static graph datasets and primarily focus on prediction accuracy, neglecting user-centric considerations such as sampling diversity, query fairness, and adaptability to dynamic settings. To bridge this gap, we introduce GRAIL, a novel benchmarking framework designed to evaluate graph AL strategies in dynamic, real-world environments. GRAIL introduces novel metrics to assess sustained effectiveness, diversity, and user burden, enabling a comprehensive evaluation of AL methods under varying conditions. Extensive experiments on datasets featuring dynamic, real-life human sensor data reveal trade-offs between prediction performance and user burden, highlighting limitations in existing AL strategies. GRAIL demonstrates the importance of balancing node importance, query diversity, and network topology, providing an evaluation mechanism for graph AL solutions in dynamic environments.
☆ Detecção da Psoríase Utilizando Visão Computacional: Uma Abordagem Comparativa Entre CNNs e Vision Transformers
This paper presents a comparison of the performance of Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs) in the task of multi-classifying images containing lesions of psoriasis and diseases similar to it. Models pre-trained on ImageNet were adapted to a specific data set. Both achieved high predictive metrics, but the ViTs stood out for their superior performance with smaller models. Dual Attention Vision Transformer-Base (DaViT-B) obtained the best results, with an f1-score of 96.4%, and is recommended as the most efficient architecture for automated psoriasis detection. This article reinforces the potential of ViTs for medical image classification tasks.
comment: 12 pages, in Portuguese language, 2 figures, 2 tables, and 4 formulas. To be published in the Proceedings of the LII Brazilian Integrated Software and Hardware Seminar 2025 (SEMISH 2025)
☆ NnD: Diffusion-based Generation of Physically-Nonnegative Objects
Most natural objects have inherent complexity and variability. While some simple objects can be modeled from first principles, many real-world phenomena, such as cloud formation, require computationally expensive simulations that limit scalability. This work focuses on a class of physically meaningful, nonnegative objects that are computationally tractable but costly to simulate. To dramatically reduce computational costs, we propose nonnegative diffusion (NnD). This is a learned generative model using score based diffusion. It adapts annealed Langevin dynamics to enforce, by design, non-negativity throughout iterative scene generation and analysis (inference). NnD trains on high-quality physically simulated objects. Once trained, it can be used for generation and inference. We demonstrate generation of 3D volumetric clouds, comprising inherently nonnegative microphysical fields. Our generated clouds are consistent with cloud physics trends. They are effectively not distinguished as non-physical by expert perception.
☆ AI5GTest: AI-Driven Specification-Aware Automated Testing and Validation of 5G O-RAN Components
The advent of Open Radio Access Networks (O-RAN) has transformed the telecommunications industry by promoting interoperability, vendor diversity, and rapid innovation. However, its disaggregated architecture introduces complex testing challenges, particularly in validating multi-vendor components against O-RAN ALLIANCE and 3GPP specifications. Existing frameworks, such as those provided by Open Testing and Integration Centres (OTICs), rely heavily on manual processes, are fragmented and prone to human error, leading to inconsistency and scalability issues. To address these limitations, we present AI5GTest -- an AI-powered, specification-aware testing framework designed to automate the validation of O-RAN components. AI5GTest leverages a cooperative Large Language Models (LLM) framework consisting of Gen-LLM, Val-LLM, and Debug-LLM. Gen-LLM automatically generates expected procedural flows for test cases based on 3GPP and O-RAN specifications, while Val-LLM cross-references signaling messages against these flows to validate compliance and detect deviations. If anomalies arise, Debug-LLM performs root cause analysis, providing insight to the failure cause. To enhance transparency and trustworthiness, AI5GTest incorporates a human-in-the-loop mechanism, where the Gen-LLM presents top-k relevant official specifications to the tester for approval before proceeding with validation. Evaluated using a range of test cases obtained from O-RAN TIFG and WG5-IOT test specifications, AI5GTest demonstrates a significant reduction in overall test execution time compared to traditional manual methods, while maintaining high validation accuracy.
☆ Learning to Collaborate Over Graphs: A Selective Federated Multi-Task Learning Approach
We present a novel federated multi-task learning method that leverages cross-client similarity to enable personalized learning for each client. To avoid transmitting the entire model to the parameter server, we propose a communication-efficient scheme that introduces a feature anchor, a compact vector representation that summarizes the features learned from the client's local classes. This feature anchor is shared with the server to account for local clients' distribution. In addition, the clients share the classification heads, a lightweight linear layer, and perform a graph-based regularization to enable collaboration among clients. By modeling collaboration between clients as a dynamic graph and continuously updating and refining this graph, we can account for any drift from the clients. To ensure beneficial knowledge transfer and prevent negative collaboration, we leverage a community detection-based approach that partitions this dynamic graph into homogeneous communities, maximizing the sum of task similarities, represented as the graph edges' weights, within each community. This mechanism restricts collaboration to highly similar clients within their formed communities, ensuring positive interaction and preserving personalization. Extensive experiments on two heterogeneous datasets demonstrate that our method significantly outperforms state-of-the-art baselines. Furthermore, we show that our method exhibits superior computation and communication efficiency and promotes fairness across clients.
☆ Fundamental Limits of Learning High-dimensional Simplices in Noisy Regimes ICML 2023
In this paper, we establish sample complexity bounds for learning high-dimensional simplices in $\mathbb{R}^K$ from noisy data. Specifically, we consider $n$ i.i.d. samples uniformly drawn from an unknown simplex in $\mathbb{R}^K$, each corrupted by additive Gaussian noise of unknown variance. We prove an algorithm exists that, with high probability, outputs a simplex within $\ell_2$ or total variation (TV) distance at most $\varepsilon$ from the true simplex, provided $n \ge (K^2/\varepsilon^2) e^{\mathcal{O}(K/\mathrm{SNR}^2)}$, where $\mathrm{SNR}$ is the signal-to-noise ratio. Extending our prior work~\citep{saberi2023sample}, we derive new information-theoretic lower bounds, showing that simplex estimation within TV distance $\varepsilon$ requires at least $n \ge \Omega(K^3 \sigma^2/\varepsilon^2 + K/\varepsilon)$ samples, where $\sigma^2$ denotes the noise variance. In the noiseless scenario, our lower bound $n \ge \Omega(K/\varepsilon)$ matches known upper bounds up to constant factors. We resolve an open question by demonstrating that when $\mathrm{SNR} \ge \Omega(K^{1/2})$, noisy-case complexity aligns with the noiseless case. Our analysis leverages sample compression techniques (Ashtiani et al., 2018) and introduces a novel Fourier-based method for recovering distributions from noisy observations, potentially applicable beyond simplex learning.
comment: Extension of our ICML 2023 paper, 44 pages
♻ ☆ Worth Their Weight: Randomized and Regularized Block Kaczmarz Algorithms without Preprocessing
Due to the ever growing amounts of data leveraged for machine learning and scientific computing, it is increasingly important to develop algorithms that sample only a small portion of the data at a time. In the case of linear least-squares, the randomized block Kaczmarz method (RBK) is an appealing example of such an algorithm, but its convergence is only understood under sampling distributions that require potentially prohibitively expensive preprocessing steps. To address this limitation, we analyze RBK when the data is sampled uniformly, showing that its iterates converge in a Monte Carlo sense to a $\textit{weighted}$ least-squares solution. Unfortunately, for general problems the condition number of the weight matrix and the variance of the iterates can become arbitrarily large. We control these issues by incorporating regularization into the RBK iterations, yielding the regularized algorithm ReBlocK. Numerical experiments including examples arising from natural gradient optimization demonstrate that ReBlocK can outperform both RBK and minibatch stochastic gradient descent for inconsistent problems with rapidly decaying singular values.
comment: 32 pages, 10 figures
♻ ☆ PointNet with KAN versus PointNet with MLP for 3D Classification and Segmentation of Point Sets
Kolmogorov-Arnold Networks (KANs) have recently gained attention as an alternative to traditional Multilayer Perceptrons (MLPs) in deep learning frameworks. KANs have been integrated into various deep learning architectures such as convolutional neural networks, graph neural networks, and transformers, with their performance evaluated. However, their effectiveness within point-cloud-based neural networks remains unexplored. To address this gap, we incorporate KANs into PointNet for the first time to evaluate their performance on 3D point cloud classification and segmentation tasks. Specifically, we introduce PointNet-KAN, built upon two key components. First, it employs KANs instead of traditional MLPs. Second, it retains the core principle of PointNet by using shared KAN layers and applying symmetric functions for global feature extraction, ensuring permutation invariance with respect to the input features. In traditional MLPs, the goal is to train the weights and biases with fixed activation functions; however, in KANs, the goal is to train the activation functions themselves. We use Jacobi polynomials to construct the KAN layers. We extensively and systematically evaluate PointNet-KAN across various polynomial degrees and special types such as the Lagrange, Chebyshev, and Gegenbauer polynomials. Our results show that PointNet-KAN achieves competitive performance compared to PointNet with MLPs on benchmark datasets for 3D object classification and part and semantic segmentation, despite employing a shallower and simpler network architecture. We also study a hybrid PointNet model incorporating both KAN and MLP layers. We hope this work serves as a foundation and provides guidance for integrating KANs, as an alternative to MLPs, into more advanced point cloud processing architectures.
♻ ☆ Function-Guided Conditional Generation Using Protein Language Models with Adapters
The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a desired enzyme family. However, these methods are limited to simple, tokenized conditioning and have not been shown to generalize to unseen functions. In this study, we propose ProCALM (Protein Conditionally Adapted Language Model), an approach for the conditional generation of proteins using adapters to PLMs. While previous methods have used adapters for structure-conditioned generation from PLMs, our implementation of ProCALM involves finetuning ProGen2 to condition generation based on versatile representations of protein function-e.g. enzyme family, taxonomy, or natural language descriptions. ProCALM matches or exceeds the performance of existing methods at conditional sequence generation from target functions. Impressively, it can also generalize to rare and unseen functions. Overall, ProCALM is a flexible and computationally efficient approach, and we expect that it can be extended to a wide range of generative language models.
♻ ☆ Securing Large Language Models: Threats, Vulnerabilities and Responsible Practices
Large language models (LLMs) have significantly transformed the landscape of Natural Language Processing (NLP). Their impact extends across a diverse spectrum of tasks, revolutionizing how we approach language understanding and generations. Nevertheless, alongside their remarkable utility, LLMs introduce critical security and risk considerations. These challenges warrant careful examination to ensure responsible deployment and safeguard against potential vulnerabilities. This research paper thoroughly investigates security and privacy concerns related to LLMs from five thematic perspectives: security and privacy concerns, vulnerabilities against adversarial attacks, potential harms caused by misuses of LLMs, mitigation strategies to address these challenges while identifying limitations of current strategies. Lastly, the paper recommends promising avenues for future research to enhance the security and risk management of LLMs.
♻ ☆ Meta-learning Optimizers for Communication-Efficient Learning
Communication-efficient variants of SGD, specifically local SGD, have received a great deal of interest in recent years. These approaches compute multiple gradient steps locally on each worker, before averaging model parameters, helping relieve the critical communication bottleneck in distributed deep learning training. Although many variants of these approaches have been proposed, they can sometimes lag behind state-of-the-art adaptive optimizers for deep learning. In this work, we investigate if the recent progress in the emerging area of learned optimizers can potentially close this gap in homogeneous data and homogeneous device settings while remaining communication-efficient. Specifically, we meta-learn how to perform global updates given an update from local SGD iterations. Our results demonstrate that learned optimizers can substantially outperform local SGD and its sophisticated variants while maintaining their communication efficiency. Our learned optimizers can even generalize to unseen and much larger datasets and architectures, including ImageNet and ViTs, and to unseen modalities such as language modeling. We therefore show the potential of learned optimizers for improving communication-efficient distributed learning.
♻ ☆ Neural Networks Generalize on Low Complexity Data
We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d.~data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number. For primality testing, our theorem shows the following and more. Suppose that we draw an i.i.d.~sample of $n$ numbers uniformly at random from $1$ to $N$. For each number $x_i$, let $y_i = 1$ if $x_i$ is a prime and $0$ if it is not. Then, the interpolating MDL network accurately answers, with probability $1- O((\ln N)/n)$, whether a newly drawn number between $1$ and $N$ is a prime or not. Note that the network is not designed to detect primes; minimum description learning discovers a network which does so. Extensions to noisy data are also discussed, suggesting that MDL neural network interpolators can demonstrate tempered overfitting.
comment: 34 pages. V3: new results added
♻ ☆ The Impact of Feature Scaling In Machine Learning: Effects on Regression and Classification Tasks
This research addresses the critical lack of comprehensive studies on feature scaling by systematically evaluating 12 scaling techniques - including several less common transformations - across 14 different Machine Learning algorithms and 16 datasets for classification and regression tasks. We meticulously analyzed impacts on predictive performance (using metrics such as accuracy, MAE, MSE, and $R^2$) and computational costs (training time, inference time, and memory usage). Key findings reveal that while ensemble methods (such as Random Forest and gradient boosting models like XGBoost, CatBoost and LightGBM) demonstrate robust performance largely independent of scaling, other widely used models such as Logistic Regression, SVMs, TabNet, and MLPs show significant performance variations highly dependent on the chosen scaler. This extensive empirical analysis, with all source code, experimental results, and model parameters made publicly available to ensure complete transparency and reproducibility, offers model-specific crucial guidance to practitioners on the need for an optimal selection of feature scaling techniques.
comment: 27 pages
♻ ☆ SALAD: Systematic Assessment of Machine Unlearing on LLM-Aided Hardware Design
Large Language Models (LLMs) offer transformative capabilities for hardware design automation, particularly in Verilog code generation. However, they also pose significant data security challenges, including Verilog evaluation data contamination, intellectual property (IP) design leakage, and the risk of malicious Verilog generation. We introduce SALAD, a comprehensive assessment that leverages machine unlearning to mitigate these threats. Our approach enables the selective removal of contaminated benchmarks, sensitive IP and design artifacts, or malicious code patterns from pre-trained LLMs, all without requiring full retraining. Through detailed case studies, we demonstrate how machine unlearning techniques effectively reduce data security risks in LLM-aided hardware design.
♻ ☆ Failure Modes of LLMs for Causal Reasoning on Narratives
In this work, we investigate the causal reasoning abilities of large language models (LLMs) through the representative problem of inferring causal relationships from narratives. We find that even state-of-the-art language models rely on unreliable shortcuts, both in terms of the narrative presentation and their parametric knowledge. For example, LLMs tend to determine causal relationships based on the topological ordering of events (i.e., earlier events cause later ones), resulting in lower performance whenever events are not narrated in their exact causal order. Similarly, we demonstrate that LLMs struggle with long-term causal reasoning and often fail when the narratives are long and contain many events. Additionally, we show LLMs appear to rely heavily on their parametric knowledge at the expense of reasoning over the provided narrative. This degrades their abilities whenever the narrative opposes parametric knowledge. We extensively validate these failure modes through carefully controlled synthetic experiments, as well as evaluations on real-world narratives. Finally, we observe that explicitly generating a causal graph generally improves performance while naive chain-of-thought is ineffective. Collectively, our results distill precise failure modes of current state-of-the-art models and can pave the way for future techniques to enhance causal reasoning in LLMs.
♻ ☆ SealQA: Raising the Bar for Reasoning in Search-Augmented Language Models
We introduce SealQA, a new challenge benchmark for evaluating SEarch-Augmented Language models on fact-seeking questions where web search yields conflicting, noisy, or unhelpful results. SealQA comes in three flavors: (1) Seal-0 (main) and (2) Seal-Hard, which assess factual accuracy and reasoning capabilities, with Seal-0 focusing on the most challenging questions where chat models (e.g., GPT-4.1) typically achieve near-zero accuracy; and (3) LongSeal, which extends SealQA to test long-context, multi-document reasoning in "needle-in-a-haystack" settings. Our evaluation reveals critical limitations in current models: Even frontier LLMs perform poorly across all SealQA flavors. On Seal-0, frontier agentic models equipped with tools like o3 and o4-mini achieve only 17.1% and 6.3% accuracy, respectively, at their best reasoning efforts. We find that advanced reasoning models such as DeepSeek-R1-671B and o3-mini are highly vulnerable to noisy search results. Notably, increasing test-time compute does not yield reliable gains across o3-mini, o4-mini, and o3, with performance often plateauing or even declining early. Additionally, while recent models are less affected by the "lost-in-the-middle" issue, they still fail to reliably identify relevant documents in LongSeal when faced with numerous distractors. To facilitate future work, we release SealQA at huggingface.co/datasets/vtllms/sealqa.
comment: Preprint. 23 pages, 7 figures, 11 tables
♻ ☆ ETS: Efficient Tree Search for Inference-Time Scaling
Test-time compute scaling has emerged as a new axis along which to improve model accuracy, where additional computation is used at inference time to allow the model to think longer for more challenging problems. One promising approach for test-time compute scaling is search against a process reward model, where a model generates multiple potential candidates at each step of the search, and these partial trajectories are then scored by a separate reward model in order to guide the search process. The diversity of trajectories in the tree search process affects the accuracy of the search, since increasing diversity promotes more exploration. However, this diversity comes at a cost, as divergent trajectories have less KV sharing, which means they consume more memory and slow down the search process. Previous search methods either do not perform sufficient exploration, or else explore diverse trajectories but have high latency. We address this challenge by proposing Efficient Tree Search (ETS), which promotes KV sharing by pruning redundant trajectories while maintaining necessary diverse trajectories. ETS incorporates a linear programming cost model to promote KV cache sharing by penalizing the number of nodes retained, while incorporating a semantic coverage term into the cost model to ensure that we retain trajectories which are semantically different. We demonstrate how ETS can achieve 1.8$\times$ reduction in average KV cache size during the search process, leading to 1.4$\times$ increased throughput relative to prior state-of-the-art methods, with minimal accuracy degradation and without requiring any custom kernel implementation. Code is available at: https://github.com/SqueezeAILab/ETS.
comment: 15 pages
♻ ☆ Towards Fair Representation: Clustering and Consensus
Consensus clustering, a fundamental task in machine learning and data analysis, aims to aggregate multiple input clusterings of a dataset, potentially based on different non-sensitive attributes, into a single clustering that best represents the collective structure of the data. In this work, we study this fundamental problem through the lens of fair clustering, as introduced by Chierichetti et al. [NeurIPS'17], which incorporates the disparate impact doctrine to ensure proportional representation of each protected group in the dataset within every cluster. Our objective is to find a consensus clustering that is not only representative but also fair with respect to specific protected attributes. To the best of our knowledge, we are the first to address this problem and provide a constant-factor approximation. As part of our investigation, we examine how to minimally modify an existing clustering to enforce fairness -- an essential postprocessing step in many clustering applications that require fair representation. We develop an optimal algorithm for datasets with equal group representation and near-linear time constant factor approximation algorithms for more general scenarios with different proportions of two group sizes. We complement our approximation result by showing that the problem is NP-hard for two unequal-sized groups. Given the fundamental nature of this problem, we believe our results on Closest Fair Clustering could have broader implications for other clustering problems, particularly those for which no prior approximation guarantees exist for their fair variants.
comment: The paper has been accepted at the Conference on Learning Theory (COLT) 2025
♻ ☆ VTool-R1: VLMs Learn to Think with Images via Reinforcement Learning on Multimodal Tool Use
Reinforcement Learning Finetuning (RFT) has significantly advanced the reasoning capabilities of large language models (LLMs) by enabling long chains of thought, self-correction, and effective tool use. While recent works attempt to extend RFT to vision-language models (VLMs), these efforts largely produce text-only reasoning conditioned on static image inputs, falling short of true multimodal reasoning in the response. In contrast, test-time methods like Visual Sketchpad incorporate visual steps but lack training mechanisms. We introduce VTool-R1, the first framework that trains VLMs to generate multimodal chains of thought by interleaving text and intermediate visual reasoning steps. VTool-R1 integrates Python-based visual editing tools into the RFT process, enabling VLMs to learn when and how to generate visual reasoning steps that benefit final reasoning. Trained with outcome-based rewards tied to task accuracy, our approach elicits strategic visual tool use for reasoning without relying on process-based supervision. Experiments on structured visual question answering over charts and tables show that VTool-R1 enhances reasoning performance by teaching VLMs to "think with images" and generate multimodal chain of thoughts with tools.
comment: https://github.com/VTool-R1/VTool-R1
♻ ☆ From Neural Representations to Interpretable Logic Rules
As deep neural networks continue to excel across various domains, their black-box nature has raised concerns about transparency and trust. In particular, interpretability has become increasingly essential for applications that demand high safety and knowledge rigor, such as drug discovery, autonomous driving, and genomics. However, progress in understanding even the simplest deep neural networks - such as fully connected networks - has been limited, despite their role as foundational elements in state-of-the-art models like ResNet and Transformer. In this paper, we address this challenge by introducing NeuroLogic, a novel approach for decoding interpretable logic rules from neural networks. NeuroLogic leverages neural activation patterns to capture the model's critical decision-making processes, translating them into logical rules represented by hidden predicates. Thanks to its flexible design in the grounding phase, NeuroLogic can be adapted to a wide range of neural networks. For simple fully connected neural networks, hidden predicates can be grounded in certain split patterns of original input features to derive decision-tree-like rules. For large, complex vision neural networks, NeuroLogic grounds hidden predicates into high-level visual concepts that are understandable to humans. Our empirical study demonstrates that NeuroLogic can extract global and interpretable rules from state-of-the-art models such as ResNet, a task at which existing work struggles. We believe NeuroLogic can help pave the way for understanding the black-box nature of neural networks.
comment: 23 pages, 7 figures
♻ ☆ Learning Geometric Invariant Features for Classification of Vector Polygons with Graph Message-passing Neural Network
Geometric shape classification of vector polygons remains a challenging task in spatial analysis. Previous studies have primarily focused on deep learning approaches for rasterized vector polygons, while the study of discrete polygon representations and corresponding learning methods remains underexplored. In this study, we investigate a graph-based representation of vector polygons and propose a simple graph message-passing framework, PolyMP, along with its densely self-connected variant, PolyMP-DSC, to learn more expressive and robust latent representations of polygons. This framework hierarchically captures self-looped graph information and learns geometric-invariant features for polygon shape classification. Through extensive experiments, we demonstrate that combining a permutation-invariant graph message-passing neural network with a densely self-connected mechanism achieves robust performance on benchmark datasets, including synthetic glyphs and real-world building footprints, outperforming several baseline methods. Our findings indicate that PolyMP and PolyMP-DSC effectively capture expressive geometric features that remain invariant under common transformations, such as translation, rotation, scaling, and shearing, while also being robust to trivial vertex removals. Furthermore, we highlight the strong generalization ability of the proposed approach, enabling the transfer of learned geometric features from synthetic glyph polygons to real-world building footprints.
♻ ☆ Privacy-aware Berrut Approximated Coded Computing for Federated Learning
Federated Learning (FL) is an interesting strategy that enables the collaborative training of an AI model among different data owners without revealing their private datasets. Even so, FL has some privacy vulnerabilities that have been tried to be overcome by applying some techniques like Differential Privacy (DP), Homomorphic Encryption (HE), or Secure Multi-Party Computation (SMPC). However, these techniques have some important drawbacks that might narrow their range of application: problems to work with non-linear functions and to operate large matrix multiplications and high communication and computational costs to manage semi-honest nodes. In this context, we propose a solution to guarantee privacy in FL schemes that simultaneously solves the previously mentioned problems. Our proposal is based on the Berrut Approximated Coded Computing, a technique from the Coded Distributed Computing paradigm, adapted to a Secret Sharing configuration, to provide input privacy to FL in a scalable way. It can be applied for computing non-linear functions and treats the special case of distributed matrix multiplication, a key primitive at the core of many automated learning tasks. Because of these characteristics, it could be applied in a wide range of FL scenarios, since it is independent of the machine learning models or aggregation algorithms used in the FL scheme. We provide analysis of the achieved privacy and complexity of our solution and, due to the extensive numerical results performed, a good trade-off between privacy and precision can be observed.
♻ ☆ Mitigating Object Hallucination in Large Vision-Language Models via Image-Grounded Guidance
The advancement of Large Vision-Language Models (LVLMs) has increasingly highlighted the critical issue of their tendency to hallucinate non-existing objects in the images. To address this issue, previous works focused on using specially curated datasets or powerful LLMs to rectify the outputs of LVLMs. However, these approaches require either costly training or fine-tuning, or API access to proprietary LLMs for post-generation correction. In response to these limitations, we propose Mitigating hallucinAtion via image-gRounded guIdaNcE (MARINE), a framework that is both training-free and API-free. MARINE effectively and efficiently reduces object hallucinations during inference by introducing image-grounded guidance to LVLMs. This is achieved by leveraging open-source vision models to extract object-level information, thereby enhancing the precision of LVLM-generated content. Our framework's flexibility further allows for the integration of multiple vision models, enabling more reliable and robust object-level guidance. Through comprehensive evaluations across 5 popular LVLMs with diverse evaluation metrics and benchmarks, we demonstrate the effectiveness of MARINE, which even outperforms existing fine-tuning-based methods. Remarkably, it reduces hallucinations consistently in GPT-4V-assisted evaluation while maintaining the detailedness of LVLMs' generations. We release our code at https://github.com/Linxi-ZHAO/MARINE.
comment: 25 pages, 13 figures, 25 tables
♻ ☆ Multi-task Representation Learning for Mixed Integer Linear Programming
Mixed Integer Linear Programs (MILPs) are highly flexible and powerful tools for modeling and solving complex real-world combinatorial optimization problems. Recently, machine learning (ML)-guided approaches have demonstrated significant potential in improving MILP-solving efficiency. However, these methods typically rely on separate offline data collection and training processes, which limits their scalability and adaptability. This paper introduces the first multi-task learning framework for ML-guided MILP solving. The proposed framework provides MILP embeddings helpful in guiding MILP solving across solvers (e.g., Gurobi and SCIP) and across tasks (e.g., Branching and Solver configuration). Through extensive experiments on three widely used MILP benchmarks, we demonstrate that our multi-task learning model performs similarly to specialized models within the same distribution. Moreover, it significantly outperforms them in generalization across problem sizes and tasks.
♻ ☆ Future of Work with AI Agents: Auditing Automation and Augmentation Potential across the U.S. Workforce
The rapid rise of compound AI systems (a.k.a., AI agents) is reshaping the labor market, raising concerns about job displacement, diminished human agency, and overreliance on automation. Yet, we lack a systematic understanding of the evolving landscape. In this paper, we address this gap by introducing a novel auditing framework to assess which occupational tasks workers want AI agents to automate or augment, and how those desires align with the current technological capabilities. Our framework features an audio-enhanced mini-interview to capture nuanced worker desires and introduces the Human Agency Scale (HAS) as a shared language to quantify the preferred level of human involvement. Using this framework, we construct the WORKBank database, building on the U.S. Department of Labor's O*NET database, to capture preferences from 1,500 domain workers and capability assessments from AI experts across over 844 tasks spanning 104 occupations. Jointly considering the desire and technological capability divides tasks in WORKBank into four zones: Automation "Green Light" Zone, Automation "Red Light" Zone, R&D Opportunity Zone, Low Priority Zone. This highlights critical mismatches and opportunities for AI agent development. Moving beyond a simple automate-or-not dichotomy, our results reveal diverse HAS profiles across occupations, reflecting heterogeneous expectations for human involvement. Moreover, our study offers early signals of how AI agent integration may reshape the core human competencies, shifting from information-focused skills to interpersonal ones. These findings underscore the importance of aligning AI agent development with human desires and preparing workers for evolving workplace dynamics.
comment: Preprint
♻ ☆ Balans: Multi-Armed Bandits-based Adaptive Large Neighborhood Search for Mixed-Integer Programming Problem
Mixed-integer programming (MIP) is a powerful paradigm for modeling and solving various important combinatorial optimization problems. Recently, learning-based approaches have shown a potential to speed up MIP solving via offline training that then guides important design decisions during the search. However, a significant drawback of these methods is their heavy reliance on offline training, which requires collecting training datasets and computationally costly training epochs yet offering only limited generalization to unseen (larger) instances. In this paper, we propose Balans, an adaptive meta-solver for MIPs with online learning capability that does not require any supervision or apriori training. At its core, Balans is based on adaptive large-neighborhood search, operating on top of an MIP solver by successive applications of destroy and repair neighborhood operators. During the search, the selection among different neighborhood definitions is guided on the fly for the instance at hand via multi-armed bandit algorithms. Our extensive experiments on hard optimization instances show that Balans offers significant performance gains over the default MIP solver, is better than committing to any single best neighborhood, and improves over the state-of-the-art large-neighborhood search for MIPs. Finally, we release Balans as a highly configurable, MIP solver agnostic, open-source software.
♻ ☆ Learning a Gaussian Mixture for Sparsity Regularization in Inverse Problems
In inverse problems, it is widely recognized that the incorporation of a sparsity prior yields a regularization effect on the solution. This approach is grounded on the a priori assumption that the unknown can be appropriately represented in a basis with a limited number of significant components, while most coefficients are close to zero. This occurrence is frequently observed in real-world scenarios, such as with piecewise smooth signals. In this study, we propose a probabilistic sparsity prior formulated as a mixture of degenerate Gaussians, capable of modeling sparsity with respect to a generic basis. Under this premise, we design a neural network that can be interpreted as the Bayes estimator for linear inverse problems. Additionally, we put forth both a supervised and an unsupervised training strategy to estimate the parameters of this network. To evaluate the effectiveness of our approach, we conduct a numerical comparison with commonly employed sparsity-promoting regularization techniques, namely LASSO, group LASSO, iterative hard thresholding, and sparse coding/dictionary learning. Notably, our reconstructions consistently exhibit lower mean square error values across all $1$D datasets utilized for the comparisons, even in cases where the datasets significantly deviate from a Gaussian mixture model.
♻ ☆ Generative Modeling with Diffusion
We provide an overview of the diffusion model as a method to generate new samples. Generative models have been recently adopted for tasks such as art generation (Stable Diffusion, Dall-E) and text generation (ChatGPT). Diffusion models in particular apply noise to sample data and then "reverse" this noising process to generate new samples. We will formally define these noising and denoising processes, then present algorithms to train and generate with a diffusion model. Afterward, we will explore a potential application of diffusion models in improving classifier performance on imbalanced data.
comment: 17 pages with 6 figures
♻ ☆ Peer-Ranked Precision: Creating a Foundational Dataset for Fine-Tuning Vision Models from DataSeeds' Annotated Imagery
The development of modern Artificial Intelligence (AI) models, particularly diffusion-based models employed in computer vision and image generation tasks, is undergoing a paradigmatic shift in development methodologies. Traditionally dominated by a "Model Centric" approach, in which performance gains were primarily pursued through increasingly complex model architectures and hyperparameter optimization, the field is now recognizing a more nuanced "Data-Centric" approach. This emergent framework foregrounds the quality, structure, and relevance of training data as the principal driver of model performance. To operationalize this paradigm shift, we introduce the DataSeeds.AI sample dataset (the "DSD"), initially comprised of approximately 10,610 high-quality human peer-ranked photography images accompanied by extensive multi-tier annotations. The DSD is a foundational computer vision dataset designed to usher in a new standard for commercial image datasets. Representing a small fraction of DataSeeds.AI's 100 million-plus image catalog, the DSD provides a scalable foundation necessary for robust commercial and multimodal AI development. Through this in-depth exploratory analysis, we document the quantitative improvements generated by the DSD on specific models against known benchmarks and make the code and the trained models used in our evaluation publicly available.
comment: 28 pages, 12 figures
♻ ☆ A Unified Framework to Enforce, Discover, and Promote Symmetry in Machine Learning
Symmetry is present throughout nature and continues to play an increasingly central role in physics and machine learning. Fundamental symmetries, such as Poincar\'{e} invariance, allow physical laws discovered in laboratories on Earth to be extrapolated to the farthest reaches of the universe. Symmetry is essential to achieving this extrapolatory power in machine learning applications. For example, translation invariance in image classification allows models with fewer parameters, such as convolutional neural networks, to be trained on smaller data sets and achieve state-of-the-art performance. In this paper, we provide a unifying theoretical and methodological framework for incorporating symmetry into machine learning models in three ways: 1. enforcing known symmetry when training a model; 2. discovering unknown symmetries of a given model or data set; and 3. promoting symmetry during training by learning a model that breaks symmetries within a user-specified group of candidates when there is sufficient evidence in the data. We show that these tasks can be cast within a common mathematical framework whose central object is the Lie derivative associated with fiber-linear Lie group actions on vector bundles. We extend and unify several existing results by showing that enforcing and discovering symmetry are linear-algebraic tasks that are dual with respect to the bilinear structure of the Lie derivative. We also propose a novel way to promote symmetry by introducing a class of convex regularization functions based on the Lie derivative and nuclear norm relaxation to penalize symmetry breaking during training of machine learning models. We explain how these ideas can be applied to a wide range of machine learning models including basis function regression, dynamical systems discovery, neural networks, and neural operators acting on fields.
♻ ☆ VISTA: Vision-Language Inference for Training-Free Stock Time-Series Analysis CVPR 2025
Stock price prediction remains a complex and high-stakes task in financial analysis, traditionally addressed using statistical models or, more recently, language models. In this work, we introduce VISTA (Vision-Language Inference for Stock Time-series Analysis), a novel, training-free framework that leverages Vision-Language Models (VLMs) for multi-modal stock forecasting. VISTA prompts a VLM with both textual representations of historical stock prices and their corresponding line charts to predict future price values. By combining numerical and visual modalities in a zero-shot setting and using carefully designed chain-of-thought prompts, VISTA captures complementary patterns that unimodal approaches often miss. We benchmark VISTA against standard baselines, including ARIMA and text-only LLM-based prompting methods. Experimental results show that VISTA outperforms these baselines by up to 89.83%, demonstrating the effectiveness of multi-modal inference for stock time-series analysis and highlighting the potential of VLMs in financial forecasting tasks without requiring task-specific training.
comment: Accepted to the CVPR 2025 Workshop on Transformers for Vision (T4V): https://sites.google.com/view/t4v-cvpr25/accepted-papers
♻ ☆ Second-order Conditional Gradient Sliding
Constrained second-order convex optimization algorithms are the method of choice when a high accuracy solution to a problem is needed, due to their local quadratic convergence. These algorithms require the solution of a constrained quadratic subproblem at every iteration. We present the \emph{Second-Order Conditional Gradient Sliding} (SOCGS) algorithm, which uses a projection-free algorithm to solve the constrained quadratic subproblems inexactly. When the feasible region is a polytope the algorithm converges quadratically in primal gap after a finite number of linearly convergent iterations. Once in the quadratic regime the SOCGS algorithm requires $\mathcal{O}(\log(\log 1/\varepsilon))$ first-order and Hessian oracle calls and $\mathcal{O}(\log (1/\varepsilon) \log(\log1/\varepsilon))$ linear minimization oracle calls to achieve an $\varepsilon$-optimal solution. This algorithm is useful when the feasible region can only be accessed efficiently through a linear optimization oracle, and computing first-order information of the function, although possible, is costly.
Genomics 3
☆ Brain-wide interpolation and conditioning of gene expression in the human brain using Implicit Neural Representations
In this paper, we study the efficacy and utility of recent advances in non-local, non-linear image interpolation and extrapolation algorithms, specifically, ideas based on Implicit Neural Representations (INR), as a tool for analysis of spatial transcriptomics data. We seek to utilize the microarray gene expression data sparsely sampled in the healthy human brain, and produce fully resolved spatial maps of any given gene across the whole brain at a voxel-level resolution. To do so, we first obtained the 100 top AD risk genes, whose baseline spatial transcriptional profiles were obtained from the Allen Human Brain Atlas (AHBA). We adapted Implicit Neural Representation models so that the pipeline can produce robust voxel-resolution quantitative maps of all genes. We present a variety of experiments using interpolations obtained from Abagen as a baseline/reference.
☆ HEIST: A Graph Foundation Model for Spatial Transcriptomics and Proteomics Data
Single-cell transcriptomics has become a great source for data-driven insights into biology, enabling the use of advanced deep learning methods to understand cellular heterogeneity and transcriptional regulation at the single-cell level. With the advent of spatial transcriptomics data we have the promise of learning about cells within a tissue context as it provides both spatial coordinates and transcriptomic readouts. However, existing models either ignore spatial resolution or the gene regulatory information. Gene regulation in cells can change depending on microenvironmental cues from neighboring cells, but existing models neglect gene regulatory patterns with hierarchical dependencies across levels of abstraction. In order to create contextualized representations of cells and genes from spatial transcriptomics data, we introduce HEIST, a hierarchical graph transformer-based foundation model for spatial transcriptomics and proteomics data. HEIST models tissue as spatial cellular neighborhood graphs, and each cell is, in turn, modeled as a gene regulatory network graph. The framework includes a hierarchical graph transformer that performs cross-level message passing and message passing within levels. HEIST is pre-trained on 22.3M cells from 124 tissues across 15 organs using spatially-aware contrastive learning and masked auto-encoding objectives. Unsupervised analysis of HEIST representations of cells, shows that it effectively encodes the microenvironmental influences in cell embeddings, enabling the discovery of spatially-informed subpopulations that prior models fail to differentiate. Further, HEIST achieves state-of-the-art results on four downstream task such as clinical outcome prediction, cell type annotation, gene imputation, and spatially-informed cell clustering across multiple technologies, highlighting the importance of hierarchical modeling and GRN-based representations.
♻ ☆ Selecting ChIP-seq Normalization Methods from the Perspective of their Technical Conditions
Chromatin immunoprecipitation with high-throughput sequencing (ChIP-seq) provides insights into both the genomic location occupied by the protein of interest and the difference in DNA occupancy between experimental states. Given that ChIP-seq data is collected experimentally, an important step for determining regions with differential DNA occupancy between states is between-sample normalization. While between-sample normalization is crucial for downstream differential binding analysis, the technical conditions underlying between-sample normalization methods have yet to be examined for ChIP-seq. We identify three important technical conditions underlying ChIP-seq between-sample normalization methods: balanced differential DNA occupancy, equal total DNA occupancy, and equal background binding across states. To illustrate satisfying the selected normalization method's technical conditions for downstream differential binding analysis, we simulate ChIP-seq read count data where different combinations of the technical conditions are violated. We then externally verify our simulation results using experimental data. Based on our findings, we suggest that researchers use their understanding of the ChIP-seq experiment at hand to guide their choice of between-sample normalization method. Alternatively, researchers can use a high-confidence peakset, which is the intersection of the differentially bound peaksets obtained from using different between-sample normalization methods. In our two experimental analyses, roughly half of the called peaks were called as differentially bound for every normalization method. High-confidence peaks are less sensitive to choice of between-sample normalization method and could be a more robust basis for identifying genomic regions with differential DNA occupancy between experimental states when there is uncertainty about which technical conditions are satisfied.
Quantitative Methods 9
☆ Correlation vs causation in Alzheimer's disease: an interpretability-driven study
Understanding the distinction between causation and correlation is critical in Alzheimer's disease (AD) research, as it impacts diagnosis, treatment, and the identification of true disease drivers. This experiment investigates the relationships among clinical, cognitive, genetic, and biomarker features using a combination of correlation analysis, machine learning classification, and model interpretability techniques. Employing the XGBoost algorithm, we identified key features influencing AD classification, including cognitive scores and genetic risk factors. Correlation matrices revealed clusters of interrelated variables, while SHAP (SHapley Additive exPlanations) values provided detailed insights into feature contributions across disease stages. Our results highlight that strong correlations do not necessarily imply causation, emphasizing the need for careful interpretation of associative data. By integrating feature importance and interpretability with classical statistical analysis, this work lays groundwork for future causal inference studies aimed at uncovering true pathological mechanisms. Ultimately, distinguishing causal factors from correlated markers can lead to improved early diagnosis and targeted interventions for Alzheimer's disease.
☆ FAPS: A Fast Platform for Protein Structureomics Analysis
Protein quantification and analysis are well-accepted approaches for biomarker discovery but are limited to identification without structural information. High-throughput omics data (i.e., genomics, transcriptomics, and proteomics) have become pervasive in cancer biology studies and reach well beyond more specialized areas such as metabolomics, epigenomics, pharmacogenomics, and interact-omics. However, large-scale analysis based on the structure of the biomolecules, namely structure-omics, is still underexplored due to a lack of handy tools. In response, we developed the Fast Analysis of Protein Structure (FAPS) database, a platform designed to advance quantitative proteomics to structure-omics analysis, which significantly shortens large-scale structure-omics from weeks to seconds. FAPS can serve as a new protein secondary structure database, providing a centralized and functional database for both simulated and experimentally determined bioinformatics statistics relating to secondary structure. Stored data is generated both through the structure simulation, currently SWISS-MODEL and AlphaFold, performed by high-performance computers, and the pre-existing UniProt database. FAPS provides user-friendly features that create a straightforward and effective way of accessing accurate data on the proportion of secondary structure in different protein chains, providing a fast numerical and visual reference for protein structure calculations and analysis. FAPS is accessible through http://fapsdb.org.
comment: 16 Pages, 5 figures
☆ Data-Driven Modeling of IRCU Patient Flow in the COVID-19 Pandemic
Intermediate Respiratory Care Units (IRCUs) are vital during crises like COVID-19. This study evaluated clinical outcomes and operational dynamics of a new Spanish IRCU with specialized staffing. A prospective cohort study (April-August 2021) included 249 adult patients with COVID-19 respiratory failure (UHVN IRCU, Granada). Data on demographics, Non-Invasive Ventilation (NIV), length of stay (LOS), and outcomes (ICU transfer, exitus, recovery) were analyzed. Patient flow was simulated using a data-calibrated deterministic compartmental model (Ordinary Differential Equations, ODEs) that represented state transitions, and an empirical LOS-based stochastic convolution model that incorporated admission variability. The median age was 51; 31% of patients required NIV. NIV patients were older (median 61 vs 42, p<0.001). Overall, 8% needed ICU transfer; 3% experienced in-IRCU exitus. Notably, no ICU transfers or deaths occurred among 172 non-NIV patients. Of 77 high-risk NIV patients, 68% recovered in IRCU without ICU escalation. The ODE model, based on transition rates between patient states, reflected aggregate outcomes. Both modeling approaches demonstrated system strain during admission surges (partially mitigated by simulated care efficiency improvements via parameter modulation) and yielded consistent peak occupancy estimates. This IRCU, with specialized staffing, effectively managed severe COVID-19. High recovery rates, especially for NIV patients, potentially eased ICU pressure. Dynamic modeling confirmed surge vulnerability but highlighted the benefits of care efficiency from modulated transition parameters. Findings underscore positive outcomes in this IRCU model and support such units in pandemic response.
comment: Analysis of clinical outcomes and data-driven modeling of patient flow dynamics in an Intermediate Respiratory Care Unit (IRCU) during the COVID-19 pandemic. Main manuscript: 20 pages, 7 figures. Supplementary Material: 14 pages, 5 figures. Submitted to PLOS ONE
☆ Image-Based Biospeckle Contrast Analysis for Rapid Antimicrobial Susceptibility Testing
Purpose: Antimicrobial resistance is a major global health concern, affecting hospital admissions and treatment success. This study aims to introduce an experimental setup for monitoring bacterial activity over time using image-based contrast as a key biomarker. Methods: The proposed method captures changes in bacterial activity by analyzing variations in image contrast. The approach is evaluated for its ability to detect antimicrobial effects over shorter time intervals compared to conventional clinical techniques. Results: The findings reveal a progressive decrease in contrast over time, suggesting its potential as an indicator of antimicrobial activity. The results highlight the method's capability for early detection of bacterial susceptibility. Conclusion: The study demonstrates that image-based contrast analysis can serve as a rapid and reliable tool for antimicrobial susceptibility testing, offering advantages over traditional methods in clinical practice.
☆ Geometry Reduced Order Modeling (GROM) with application to modeling of glymphatic function
Computational modeling of the brain has become a key part of understanding how the brain clears metabolic waste, but patient-specific modeling on a significant scale is still out of reach with current methods. We introduce a novel approach for leveraging model order reduction techniques in computational models of brain geometries to alleviate computational costs involved in numerical simulations. Using image registration methods based on magnetic resonance imaging, we compute inter-brain mappings which allow previously computed solutions on other geometries to be mapped on to a new geometry. We investigate this approach on two example problems typical of modeling of glymphatic function, applied to a dataset of 101 MRI of human patients. We discuss the applicability of the method when applied to a patient with no known neurological disease, as well as a patient diagnosed with idiopathic Normal Pressure Hydrocephalus displaying significantly enlarged ventricles
comment: 21 pages, 8 figures
☆ Simulation-trained conditional normalizing flows for likelihood approximation: a case study in stress regulation kinetics in yeast
Physics-inspired inference often hinges on the ability to construct a likelihood, or the probability of observing a sequence of data given a model. These likelihoods can be directly maximized for parameter estimation, incorporated into Bayesian frameworks, or even used as loss functions in neural networks. Yet, many models, despite being conceptually simple, lack tractable likelihoods. A notable example arises in estimating protein production from snapshot measurements of actively dividing cells. Here, the challenge stems from cell divisions occurring at non-Exponentially distributed intervals with each division stochastically partitioning protein content between daughter cells, making protein counts in any given cell a function of its full division history. Such history dependence precludes a straightforward likelihood based on a (standard Markovian) master equation. Instead, we employ conditional normalizing flows (a class of neural network models designed to learn probability distributions) to approximate otherwise intractable likelihoods from simulated data. As a case study, we examine activation of the \emph{glc3} gene in yeast involved in glycogen synthesis and expressed under nutrient-limiting conditions. We monitor this activity using snapshot fluorescence measurements via flow cytometry, where GFP expression reflects \emph{glc3} promoter activity. A na\"ive analysis of flow cytometry data ignoring cell division suggests many cells are active with low expression. However, fluorescent proteins persist and can be inherited, so cells may appear active from retaining ancestral fluorescence. Explicitly accounting for the (non-Markovian) effects of cell division reveals \emph{glc3} is mostly inactive under stress, showing that while cells occasionally activate it, expression is brief and transient.
☆ Scalable Non-Equivariant 3D Molecule Generation via Rotational Alignment ICML 2025
Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant architectures limit the scalability and efficiency of diffusion models. In this paper, we propose an approach that relaxes such equivariance constraints. Specifically, our approach learns a sample-dependent SO(3) transformation for each molecule to construct an aligned latent space. A non-equivariant diffusion model is then trained over the aligned representations. Experimental results demonstrate that our approach performs significantly better than previously reported non-equivariant models. It yields sample quality comparable to state-of-the-art equivariant diffusion models and offers improved training and sampling efficiency. Our code is available at https://github.com/skeletondyh/RADM
comment: ICML 2025
☆ Longitudinal Omics Data Analysis: A Review on Models, Algorithms, and Tools
Longitudinal omics data (LOD) analysis is essential for understanding the dynamics of biological processes and disease progression over time. This review explores various statistical and computational approaches for analyzing such data, emphasizing their applications and limitations. The main characteristics of longitudinal data, such as imbalancedness, high-dimensionality, and non-Gaussianity are discussed for modeling and hypothesis testing. We discuss the properties of linear mixed models (LMM) and generalized linear mixed models (GLMM) as foundation stones in LOD analyses and highlight their extensions to handle the obstacles in the frequentist and Bayesian frameworks. We differentiate in dynamic data analysis between time-course and longitudinal analyses, covering functional data analysis (FDA) and replication constraints. We explore classification techniques, single-cell as exemplary omics longitudinal studies, survival modeling, and multivariate methods for clinical/biomarker-based applications. Emerging topics, including data integration, clustering, and network-based modeling, are also discussed. We categorized the state-of-the-art approaches applicable to omics data, highlighting how they address the data features. This review serves as a guideline for researchers seeking robust strategies to analyze longitudinal omics data effectively, which is usually complex.
♻ ☆ DANCE: Deep Learning-Assisted Analysis of Protein Sequences Using Chaos Enhanced Kaleidoscopic Images
Cancer is a complex disease characterized by uncontrolled cell growth. T cell receptors (TCRs), crucial proteins in the immune system, play a key role in recognizing antigens, including those associated with cancer. Recent advancements in sequencing technologies have facilitated comprehensive profiling of TCR repertoires, uncovering TCRs with potent anti-cancer activity and enabling TCR-based immunotherapies. However, analyzing these intricate biomolecules necessitates efficient representations that capture their structural and functional information. T-cell protein sequences pose unique challenges due to their relatively smaller lengths compared to other biomolecules. An image-based representation approach becomes a preferred choice for efficient embeddings, allowing for the preservation of essential details and enabling comprehensive analysis of T-cell protein sequences. In this paper, we propose to generate images from the protein sequences using the idea of Chaos Game Representation (CGR) using the Kaleidoscopic images approach. This Deep Learning Assisted Analysis of Protein Sequences Using Chaos Enhanced Kaleidoscopic Images (called DANCE) provides a unique way to visualize protein sequences by recursively applying chaos game rules around a central seed point. we perform the classification of the T cell receptors (TCRs) protein sequences in terms of their respective target cancer cells, as TCRs are known for their immune response against cancer disease. The TCR sequences are converted into images using the DANCE method. We employ deep-learning vision models to perform the classification to obtain insights into the relationship between the visual patterns observed in the generated kaleidoscopic images and the underlying protein properties. By combining CGR-based image generation with deep learning classification, this study opens novel possibilities in the protein analysis domain.
Cell Behavior 2
☆ Immunological mechanisms and immunoregulatory strategies in intervertebral disc degeneration
Intervertebral discs are avascular and maintain immune privilege. However, during intervertebral disc degeneration (IDD), this barrier is disrupted, leading to extensive immune cell infiltration and localized inflammation. In degenerated discs, macrophages, T lymphocytes, neutrophils, and granulocytic myeloid-derived suppressor cells (G-MDSCs) are key players, exhibiting functional heterogeneity. Dysregulated activation of inflammatory pathways, including nuclear factor kappa-B (NF-kappaB), interleukin-17 (IL-17), and nucleotide-binding oligomerization domain-like receptor protein 3 (NLRP3) inflammasome activation, drives local pro-inflammatory responses, leading to cell apoptosis and extracellular matrix (ECM) degradation. Innovative immunotherapies, including exosome-based treatments, CRISPR/Cas9-mediated gene editing, and chemokine-loaded hydrogel systems, have shown promise in reshaping the immunological niche of intervertebral discs. These strategies can modulate dysregulated immune responses and create a supportive environment for tissue regeneration. However, current studies have not fully elucidated the mechanisms of inflammatory memory and the immunometabolic axis, and they face challenges in balancing tissue regeneration with immune homeostasis. Future studies should employ interdisciplinary approaches such as single-cell and spatial transcriptomics to map a comprehensive immune atlas of IDD, elucidate intercellular crosstalk and signaling networks, and develop integrated therapies combining targeted immunomodulation with regenerative engineering, thereby facilitating the clinical translation of effective IDD treatments.
comment: Review article, 50 pages, 3 figures
☆ HEIST: A Graph Foundation Model for Spatial Transcriptomics and Proteomics Data
Single-cell transcriptomics has become a great source for data-driven insights into biology, enabling the use of advanced deep learning methods to understand cellular heterogeneity and transcriptional regulation at the single-cell level. With the advent of spatial transcriptomics data we have the promise of learning about cells within a tissue context as it provides both spatial coordinates and transcriptomic readouts. However, existing models either ignore spatial resolution or the gene regulatory information. Gene regulation in cells can change depending on microenvironmental cues from neighboring cells, but existing models neglect gene regulatory patterns with hierarchical dependencies across levels of abstraction. In order to create contextualized representations of cells and genes from spatial transcriptomics data, we introduce HEIST, a hierarchical graph transformer-based foundation model for spatial transcriptomics and proteomics data. HEIST models tissue as spatial cellular neighborhood graphs, and each cell is, in turn, modeled as a gene regulatory network graph. The framework includes a hierarchical graph transformer that performs cross-level message passing and message passing within levels. HEIST is pre-trained on 22.3M cells from 124 tissues across 15 organs using spatially-aware contrastive learning and masked auto-encoding objectives. Unsupervised analysis of HEIST representations of cells, shows that it effectively encodes the microenvironmental influences in cell embeddings, enabling the discovery of spatially-informed subpopulations that prior models fail to differentiate. Further, HEIST achieves state-of-the-art results on four downstream task such as clinical outcome prediction, cell type annotation, gene imputation, and spatially-informed cell clustering across multiple technologies, highlighting the importance of hierarchical modeling and GRN-based representations.